National Library of Energy BETA

Sample records for mixture consisting primarily

  1. A mixture-energy-consistent six-equation two-phase numerical model for fluids with interfaces, cavitation and evaporation waves

    SciTech Connect (OSTI)

    Pelanti, Marica; Shyue, Keh-Ming

    2014-02-15

    We model liquidgas flows with cavitation by a variant of the six-equation single-velocity two-phase model with stiff mechanical relaxation of SaurelPetitpasBerry (Saurel et al., 2009) [9]. In our approach we employ phasic total energy equations instead of the phasic internal energy equations of the classical six-equation system. This alternative formulation allows us to easily design a simple numerical method that ensures consistency with mixture total energy conservation at the discrete level and agreement of the relaxed pressure at equilibrium with the correct mixture equation of state. Temperature and Gibbs free energy exchange terms are included in the equations as relaxation terms to model heat and mass transfer and hence liquidvapor transition. The algorithm uses a high-resolution wave propagation method for the numerical approximation of the homogeneous hyperbolic portion of the model. In two dimensions a fully-discretized scheme based on a hybrid HLLC/Roe Riemann solver is employed. Thermo-chemical terms are handled numerically via a stiff relaxation solver that forces thermodynamic equilibrium at liquidvapor interfaces under metastable conditions. We present numerical results of sample tests in one and two space dimensions that show the ability of the proposed model to describe cavitation mechanisms and evaporation wave dynamics.

  2. Self-consistent particle modeling of radio frequency discharge in Ar/O{sub 2} mixtures: Effects of crossed electric and magnetic fields and partial pressure

    SciTech Connect (OSTI)

    Benyoucef, Djilali; Yousfi, Mohammed; Belmadani, Bachir

    2011-04-15

    A particle-in-cell/Monte Carlo model is developed to study and analyze the electrical characteristics of the nonequilibrium plasma created by radio frequency (RF) discharge in Ar/O{sub 2} mixtures in the presence of crossed electric and magnetic fields. The method of collision treatment is based on an optimized estimation of the free time flight. The needed basic data--more specifically, the ion-neutral cross sections--are determined first. The simulation conditions are 50 mTorr for the total gas pressure and 200 V for the peak of the RF voltage at a frequency of 13.56 MHz. The magnetic field is varied from 0 to 50 G. The effect of the partial pressure ratio of O{sub 2} in the mixture and the effect of the magnitude of the magnetic field are discussed. In particular, the results show an increase of the plasma density that is ten times higher in the presence of a magnetic field.

  3. Mixture Experiments

    SciTech Connect (OSTI)

    Piepel, Gregory F.

    2007-12-01

    A mixture experiment involves combining two or more components in various proportions or amounts and then measuring one or more responses for the resulting end products. Other factors that affect the response(s), such as process variables and/or the total amount of the mixture, may also be studied in the experiment. A mixture experiment design specifies the combinations of mixture components and other experimental factors (if any) to be studied and the response variable(s) to be measured. Mixture experiment data analyses are then used to achieve the desired goals, which may include (i) understanding the effects of components and other factors on the response(s), (ii) identifying components and other factors with significant and nonsignificant effects on the response(s), (iii) developing models for predicting the response(s) as functions of the mixture components and any other factors, and (iv) developing end-products with desired values and uncertainties of the response(s). Given a mixture experiment problem, a practitioner must consider the possible approaches for designing the experiment and analyzing the data, and then select the approach best suited to the problem. Eight possible approaches include 1) component proportions, 2) mathematically independent variables, 3) slack variable, 4) mixture amount, 5) component amounts, 6) mixture process variable, 7) mixture of mixtures, and 8) multi-factor mixture. The article provides an overview of the mixture experiment designs, models, and data analyses for these approaches.

  4. Lazy arc consistency

    SciTech Connect (OSTI)

    Schiex, T.; Gaspin, C.; Regin, J.C.; Verfaillie, G.

    1996-12-31

    Arc consistency filtering is widely used in the framework of binary constraint satisfaction problems: with a low complexity, inconsistency may be detected and domains are filtered. In this paper, we show that when detecting inconsistency is the objective, a systematic domain filtering is useless and a lazy approach is more adequate. Whereas usual arc consistency algorithms produce the maximum arc consistent sub-domain, when it exists, we propose a method, called LAC{tau}, which only looks for any arc consistent sub-domain. The algorithm is then extended to provide the additional service of locating one variable with a minimum domain cardinality in the maximum arc consistent sub-domain, without necessarily computing all domain sizes. Finally, we compare traditional AC enforcing and lazy AC enforcing using several benchmark problems, both randomly generated CSP and real life problems.

  5. Surface and Interfacial Properties of Nonaqueous-Phase Liquid Mixtures Released to the Subsurface at the Hanford Site

    SciTech Connect (OSTI)

    Nellis, Scott; Yoon, Hongkyu; Werth, Charlie; Oostrom, Martinus; Valocchi, Albert J.

    2009-05-01

    Surface and interfacial tensions that arise at the interface between different phases are key parameters affecting Nonaqueous Phase Liquid (NAPL) movement and redistribution in the vadose zone after spill events. In this study, the impact of major additive components on surface and interfacial tensions for organic mixtures and wastewater was investigated. Organic mixture and wastewater compositions are based upon carbon tetrachloride (CT) mixtures released at the Hanford site, where CT was discharged simultaneously with dibutyl butyl phosphonate (DBBP), tributyl phosphate (TBP), dibutyl phosphate (DBP), and a machining lard oil (LO). A considerable amount of wastewater consisting primarily of nitrates and metal salts was also discharged. The tension values measured in this study revealed that the addition of these additive components caused a significant lowering of the interfacial tension with water or wastewater and the surface tension of the wastewater phase in equilibrium with the organic mixtures, compared to pure CT, but had minimal effect on the surface tension of the NAPL itself. These results lead to large differences in spreading coefficients for several mixtures, where the additives caused both a higher (more spreading) initial spreading coefficient and a lower (less spreading) equilibrium spreading coefficient. This indicates that if these mixtures migrate into uncontaminated areas, they will tend to spread quickly, but form a higher residual NAPL saturation after equilibrium, as compared to pure CT. Over time, CT likely volatilizes more rapidly than other components in the originally disposed mixtures and the lard oil and phosphates would become more concentrated in the remaining NAPL, resulting in a lower interfacial tension for the mixture. Spreading coefficients are expected to increase and perhaps change the equilibrated organic mixtures from nonspreading to spreading in water-wetting porous media. These results show that the behavior of organic

  6. Sub-micrometre Particulate Matter is Primarily in Liquid Form over Amazon Rainforests

    SciTech Connect (OSTI)

    Bateman, Adam P.; Gong, Z. H.; Liu, Pengfei; Sato, Bruno; Cirino, Glauber; Zhang, Yue; Artaxo, Paulo; Bertram, Allan K.; Manzi, A.; Rizzo, L. V.; Souza, Rodrigo A.; Zaveri, Rahul A.; Martin, Scot T.

    2016-01-01

    Particulate matter (PM) occurs in the Earth’s atmosphere both in liquid and non-liquid forms. The physical state affects the available physical and chemical mechanisms of growth and reactivity, ultimately affecting the number, size, and composition of the atmospheric particle population. Herein, the physical state, including the response to relative humidity (RH), was investigated on-line and in real time for PM (< 1 μm) over the tropical rain forest of central Amazonia during both the wet and dry seasons of 2013. The results show that the PM was liquid for RH > 80% across 296 to 300 K. These results, in conjunction with the distributions of RH and temperature in Amazonia, imply that near-surface submicron PM in Amazonia is liquid most of the time. The observations are consistent with laboratory experiments showing that PM produced by isoprene photo-oxidation is liquid across these meteorological conditions. The findings have implications for the mechanisms of new particle production in Amazonia, the growth of submicron particles and hence dynamics of the cloud life cycle, and the sensitivity of these processes to anthropogenic activities. An approach for inclusion of particle physical state in chemical transport models is presented.

  7. The leucine-rich amelogenin protein (LRAP) is primarily monomeric and unstructured in physiological solution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tarasevich, Barbara J.; Philo, John S.; Maluf, Nasib Karl; Krueger, Susan; Buchko, Garry W.; Lin, Genyao; Shaw, Wendy J.

    2014-10-25

    Amelogenin proteins are critical to the formation of enamel in teeth and may have roles in promoting nucleation, controlling growth, and regulating microstructures of the intricately woven hydroxyapatite (HAP). Leucine-rich amelogenin protein (LRAP) is a 59-residue splice variant of amelogenin and contains the N- and C-terminal charged regions of the full-length protein thought to control crystal growth. Although the quaternary structure of full-length amelogenin in solution has been well studied and can consist of self-assemblies of monomers called nanospheres, the quaternary structure of LRAP is not as well studied. Here, analytical ultracentrifugation sedimentation velocity (SV) and small angle neutron scatteringmore » (SANS) were used to study the tertiary and quaternary structure of LRAP over a range of pH values, ionic strengths, and concentrations. SV has advantages over other techniques in accurately quantifying protein speciation in polydisperse solutions. We found that the monomer was the dominant species of phosphorylated LRAP (LRAP(+P)) over a range of solution conditions (pH 2.7 to 4.1, pH 4.5 to 8, 50 mmol/L( mM) to 200 mM NaCl, 0.065 to 2 mg/mL). The monomer was also the dominant species for unphosphorylated LRAP (LRAP(-P)) at pH 7.4 and LRAP(+P) in the presence of 2.5 mM calcium at pH 7.4. LRAP aggregated in a narrow pH range near the isoelectric point (pH 4.1). We conclude that LRAP does not form nanospheres under physiological solution conditions. Both SV and SANS showed that the LRAP monomer has a radius of ~2.0 nm and adopts an extended structure which solution NMR studies show is intrinsically disordered. This work provides new insights into the tertiary and quaternary structure of LRAP and further evidence that the monomeric species is an important functional form of amelogenins« less

  8. Regenerable sorbent and method for removing hydrogen sulfide from hot gaseous mixtures

    DOE Patents [OSTI]

    Farrior, Jr., William L. (Morgantown, WV)

    1978-01-01

    Hydrogen sulfide is effectively removed from hot gaseous mixtures useful for industrial purposes by employing a solid absorbent consisting of silica-supported iron oxide in pellet form.

  9. Self-consistent klystron simulations

    SciTech Connect (OSTI)

    Carlsten, B.E.; Tallerico, P.J.

    1985-01-01

    A numerical analysis of large-signal klystron behavior based on general wave-particle interaction theory is presented. The computer code presented is tailored for the minimum amount of complexity needed in klystron simulation. The code includes self-consistent electron motion, space-charge fields, and intermediate and output fields. It also includes use of time periodicity to simplify the problem, accurate representation of the space-charge fields, accurate representation of the cavity standing-wave fields, and a sophisticated particle-pushing routine. In the paper, examples are given that show the effects of cavity detunings, of varying the magnetic field profile, of electron beam asymmetries from the gun, and of variations in external load impedance. 4 refs., 7 figs.

  10. Investigation of Asphalt Mixture Creep Behavior Using Thin Beam Specimens

    SciTech Connect (OSTI)

    Zofka, Adam; Marasteanu, Mihai; Turos, Mugur

    2008-02-15

    The asphalt pavement layer consists of two or more lifts of compacted asphalt mixture; the top of the layer is also exposed to aging, a factor that significantly affects the mixture properties. The current testing specifications use rather thick specimens that cannot be used to investigate the gradual change in properties with pavement depth. This paper investigates the feasibility of using the 3-point bending test with thin asphalt mixture beams (127x12.7x6.35 mm) to determine the low-temperature creep compliance of the mixtures. Several theoretical and semi-empirical models, from the theory of composites, are reviewed and evaluated using numerical and experimental data. Preliminary results show that this method can be used for low-temperature mixture characterization but several crucial factors need further inspection and interpretation.

  11. Method for producing hydrocarbon and alcohol mixtures. [Patent application

    DOE Patents [OSTI]

    Compere, A.L.; Googin, J.M.; Griffith, W.L.

    1980-12-01

    It is an object of this invention to provide an efficient process for extracting alcohols and ketones from an aqueous solution containing the same into hydrocarbon fuel mixtures, such as gasoline, diesel fuel and fuel oil. Another object of the invention is to provide a mixture consisting of hydrocarbon, alcohols or ketones, polyoxyalkylene polymer and water which can be directly added to fuels or further purified. The above stated objects are achieved in accordance with a preferred embodiment of the invention by contacting an aqueous fermentation liquor with a hydrocarbon or hydrocarbon mixture containing carbon compounds having 5 to 18 carbon atoms, which may include gasoline, diesel fuel or fuel oil. The hydrocarbon-aqueous alcohol solution is mixed in the presence or one or more of a group of polyoxyalkylene polymers described in detail hereinafter; the fermentation alcohol being extracted into the hydrocarbon fuel-polyoxyalkylene polymer mixture.

  12. Landfilling ash/sludge mixtures

    SciTech Connect (OSTI)

    Benoit, J.; Eighmy, T.T.; Crannell, B.S.

    1999-10-01

    The geotechnical properties of a mixture of municipal solid waste incinerator bottom ash and municipal wastewater treatment plant sludge was investigated for a proposed ash/sludge secure landfill. The components as well as mixtures ranging from 10:1 to 5:1 (ash:sludge, by volume) were evaluated, where appropriate, for a number of geotechnical index and mechanical properties including particle size, water content, specific gravity, density-moisture relationships, shear strength, and compressibility. The results from a compactibility study and stability analysis of the proposed landfill were used to help approve a landfill codisposal concept; a full-scale facility was constructed and is currently operating successfully.

  13. Cementitious barriers partnership concrete mixture characterization

    SciTech Connect (OSTI)

    Langton, C.; Protiere, Yannick

    2014-12-01

    This report summarizes the characterization study performed on two concrete mixtures used for radioactive waste storage.

  14. Calculated critical parameters for uranium-beryllium-water mixtures

    SciTech Connect (OSTI)

    Wetzel, L.L.

    1996-12-31

    Babcock & Wilcox recovers uranium from Sapphire material through chemical processing. Sapphire material consists of highly enriched uranium that contains various amounts of beryllium. Prior to the processing of Sapphire material, criticality safety analyses conservatively used uranium and water mixtures to model the solutions in the chemical processing operations. In the processing of Sapphire material, the presence of beryllium could change the safety limits. To determine the impact of the beryllium in the solution, critical parameters (mass or radius) for mixtures of uranium, beryllium, and water were calculated.

  15. On the initial state and consistency relations

    SciTech Connect (OSTI)

    Berezhiani, Lasha; Khoury, Justin E-mail: jkhoury@sas.upenn.edu

    2014-09-01

    We study the effect of the initial state on the consistency conditions for adiabatic perturbations. In order to be consistent with the constraints of General Relativity, the initial state must be diffeomorphism invariant. As a result, we show that initial wavefunctional/density matrix has to satisfy a Slavnov-Taylor identity similar to that of the action. We then investigate the precise ways in which modified initial states can lead to violations of the consistency relations. We find two independent sources of violations: i) the state can include initial non-Gaussianities; ii) even if the initial state is Gaussian, such as a Bogoliubov state, the modified 2-point function can modify the q-vector ?0 analyticity properties of the vertex functional and result in violations of the consistency relations.

  16. Self-consistent chemical model of partially ionized plasmas

    SciTech Connect (OSTI)

    Arkhipov, Yu. V.; Baimbetov, F. B.; Davletov, A. E.

    2011-01-15

    A simple renormalization theory of plasma particle interactions is proposed. It primarily stems from generic properties of equilibrium distribution functions and allows one to obtain the so-called generalized Poisson-Boltzmann equation for an effective interaction potential of two chosen particles in the presence of a third one. The same equation is then strictly derived from the Bogolyubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy for equilibrium distribution functions in the pair correlation approximation. This enables one to construct a self-consistent chemical model of partially ionized plasmas, correctly accounting for the close interrelation of charged and neutral components thereof. Minimization of the system free energy provides ionization equilibrium and, thus, permits one to study the plasma composition in a wide range of its parameters. Unlike standard chemical models, the proposed one allows one to study the system correlation functions and thereby to obtain an equation of state which agrees well with exact results of quantum-mechanical activity expansions. It is shown that the plasma and neutral components are strongly interrelated, which results in the short-range order formation in the corresponding subsystem. The mathematical form of the results obtained enables one to both firmly establish this fact and to determine a characteristic length of the structure formation. Since the cornerstone of the proposed self-consistent chemical model of partially ionized plasmas is an effective pairwise interaction potential, it immediately provides quite an efficient calculation scheme not only for thermodynamical functions but for transport coefficients as well.

  17. Probing instabilities in arc plasma devices using binary gas mixtures

    SciTech Connect (OSTI)

    Ghorui, S.; Vysohlid, M.; Heberlein, J. V. R.; Pfender, E.

    2007-07-15

    This paper presents an experimental approach to identify the sources of instabilities in arc plasma devices. The phenomena of demixing in arcs have been utilized to explore the characteristics of different instabilities. Problems in explaining the observed behavior with our current understanding of the phenomena are discussed. Hydrogen is used as a secondary gas with argon as the primary plasma gas for this study. Results indicate that the observed behavior such as steady, takeover, and restrike modes of instabilities in arcs may essentially originate from the thin boundary layer over the anode wall primarily at the location of the anodic arc root. The bulk core flow apparently does not play any significant role in such instabilities. Arc currents rather than flow rates control the behavior of the instabilities in frequency space. Bifurcation of the system behavior and evidence for the existence of quadratic zones in flow space of binary gas mixtures separating steady and unsteady behavior are discussed.

  18. Advanced Enzymes and Mixtures-final-sm

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    enzyme mixtures to meet biorefinery conditions lowers conversion costs of lignocellulosic biomass to biofuel Genes are synthesized and expressed in an appropriate expression host, typically in E. Coli. Each enzyme is screened for activity across a range of temperatures, pH and biorefinery relevant conditions. An enzyme mixture developed by Sandia researchers that functions optimally at 70 °C and 20% of the ionic liquid 1-ethyl-3-methylimidazolium acetate. Biofuels: Advanced Enzymes and Mixtures

  19. Dielectric gas mixtures containing sulfur hexafluoride

    DOE Patents [OSTI]

    Cooke, Chathan M.

    1979-01-01

    Electrically insulating gaseous media of unexpectedly high dielectric strength comprised of mixtures of two or more dielectric gases are disclosed wherein the dielectric strength of at least one gas in each mixture increases at less than a linear rate with increasing pressure and the mixture gases are present in such proportions that the sum of their electrical discharge voltages at their respective partial pressures exceeds the electrical discharge voltage of each individual gas at the same temperature and pressure as that of the mixture.

  20. Deciding which chemical mixtures risk assessment methods work best for what mixtures

    SciTech Connect (OSTI)

    Teuschler, Linda K.

    2007-09-01

    The most commonly used chemical mixtures risk assessment methods involve simple notions of additivity and toxicological similarity. Newer methods are emerging in response to the complexities of chemical mixture exposures and effects. Factors based on both science and policy drive decisions regarding whether to conduct a chemical mixtures risk assessment and, if so, which methods to employ. Scientific considerations are based on positive evidence of joint toxic action, elevated human exposure conditions or the potential for significant impacts on human health. Policy issues include legislative drivers that may mandate action even though adequate toxicity data on a specific mixture may not be available and risk assessment goals that impact the choice of risk assessment method to obtain the amount of health protection desired. This paper discusses three important concepts used to choose among available approaches for conducting a chemical mixtures risk assessment: (1) additive joint toxic action of mixture components; (2) toxicological interactions of mixture components; and (3) chemical composition of complex mixtures. It is proposed that scientific support for basic assumptions used in chemical mixtures risk assessment should be developed by expert panels, risk assessment methods experts, and laboratory toxicologists. This is imperative to further develop and refine quantitative methods and provide guidance on their appropriate applications. Risk assessors need scientific support for chemical mixtures risk assessment methods in the form of toxicological data on joint toxic action for high priority mixtures, statistical methods for analyzing dose-response for mixtures, and toxicological and statistical criteria for determining sufficient similarity of complex mixtures.

  1. Ultracentrifuge for separating fluid mixtures

    DOE Patents [OSTI]

    Lowry, Ralph A.

    1976-01-01

    1. A centrifuge for the separation of fluid mixtures having light and heavy fractions comprising a cylindrical rotor, disc type end-plugs closing the ends of the rotor, means for mounting said rotor for rotation about its cylindrical axis, a housing member enclosing the rotor, a vacuum chamber in said housing about the central portion of the rotor, a collection chamber at each end of the housing, the innermost side of which is substantially formed by the outer face of the end-plug, means for preventing flow of the fluid from the collection chambers to said vacuum chamber, at least one of said end-plugs having a plurality of holes therethrough communicating between the collection chamber adjacent thereto and the inside of the rotor to induce countercurrent flow of the fluid in the centrifuge, means for feeding fluid to be processed into the centrifuge, means communicating with the collection chambers to extract the light and heavy separated fractions of the fluid, and means for rotating the rotor.

  2. Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations

    SciTech Connect (OSTI)

    Kress, Joel David; Ticknor, Christopher; Collins, Lee A.

    2015-09-16

    Mass transport properties (shear viscosity and diffusion coefficients) for Pu/DT mixtures were calculated with Orbital Free Molecular Dynamics (OFMD). The results were fitted to simple functions of mass density (for ρ=10.4 to 62.4 g/cm3) and temperature (for T=100 up to 3,000 eV) for Pu/DT mixtures consisting of 100/0, 25/75, 50/50, and 75/25 by number.

  3. THE RECOVERY OF URANIUM FROM GAS MIXTURE

    DOE Patents [OSTI]

    Jury, S.H.

    1964-03-17

    A method of separating uranium from a mixture of uranium hexafluoride and other gases is described that comprises bringing the mixture into contact with anhydrous calcium sulfate to preferentially absorb the uranium hexafluoride on the sulfate. The calcium sulfate is then leached with a selective solvent for the adsorbed uranium. (AEC)

  4. Gas mixtures for spark gap closing switches

    DOE Patents [OSTI]

    Christophorou, Loucas G.; McCorkle, Dennis L.; Hunter, Scott R.

    1988-01-01

    Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low molecular weight, inert buffer gases. To this can be added a third gas having a low ionization potential relative to the buffer gas. The gas mixtures presented possess properties that optimized the efficiency spark gap closing switches.

  5. Gas mixtures for spark gap closing switches

    DOE Patents [OSTI]

    Christophorou, L.G.; McCorkle, D.L.; Hunter, S.R.

    1987-02-20

    Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low molecular weight, inert buffer gases. To this can be added a third gas having a low ionization potential relative to the buffer gas. The gas mixtures presented possess properties that optimized the efficiency spark gap closing switches. 6 figs.

  6. Supercritical separation process for complex organic mixtures

    DOE Patents [OSTI]

    Chum, Helena L.; Filardo, Giuseppe

    1990-01-01

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70.degree. C. and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution.

  7. Supercritical separation process for complex organic mixtures

    DOE Patents [OSTI]

    Chum, H.L.; Filardo, G.

    1990-10-23

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70 C and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution. 1 fig.

  8. Generalized arc consistency for global cardinality constraint

    SciTech Connect (OSTI)

    Regin, J.C.

    1996-12-31

    A global cardinality constraint (gcc) is specified in terms of a set of variables X = (x{sub 1},..., x{sub p}) which take their values in a subset of V = (v{sub 1},...,v{sub d}). It constrains the number of times a value v{sub i} {epsilon} V is assigned to a variable in X to be in an interval [l{sub i}, c{sub i}]. Cardinality constraints have proved very useful in many real-life problems, such as scheduling, timetabling, or resource allocation. A gcc is more general than a constraint of difference, which requires each interval to be. In this paper, we present an efficient way of implementing generalized arc consistency for a gcc. The algorithm we propose is based on a new theorem of flow theory. Its space complexity is O({vert_bar}X{vert_bar} {times} {vert_bar}V{vert_bar}) and its time complexity is O({vert_bar}X{vert_bar}{sup 2} {times} {vert_bar}V{vert_bar}). We also show how this algorithm can efficiently be combined with other filtering techniques.

  9. Solubility modeling of refrigerant/lubricant mixtures

    SciTech Connect (OSTI)

    Michels, H.H.; Sienel, T.H.

    1996-12-31

    A general model for predicting the solubility properties of refrigerant/lubricant mixtures has been developed based on applicable theory for the excess Gibbs energy of non-ideal solutions. In our approach, flexible thermodynamic forms are chosen to describe the properties of both the gas and liquid phases of refrigerant/lubricant mixtures. After an extensive study of models for describing non-ideal liquid effects, the Wohl-suffix equations, which have been extensively utilized in the analysis of hydrocarbon mixtures, have been developed into a general form applicable to mixtures where one component is a POE lubricant. In the present study we have analyzed several POEs where structural and thermophysical property data were available. Data were also collected from several sources on the solubility of refrigerant/lubricant binary pairs. We have developed a computer code (NISC), based on the Wohl model, that predicts dew point or bubble point conditions over a wide range of composition and temperature. Our present analysis covers mixtures containing up to three refrigerant molecules and one lubricant. The present code can be used to analyze the properties of R-410a and R-407c in mixtures with a POE lubricant. Comparisons with other models, such as the Wilson or modified Wilson equations, indicate that the Wohl-suffix equations yield more reliable predictions for HFC/POE mixtures.

  10. APPARATUS FOR HANDLING MIXTURES OF SOLID MATERIALS

    DOE Patents [OSTI]

    Hubbell, J.P.

    1959-08-25

    An apparatus is described for handling either a mixture of finely subdivided materials or a single material requiring a compacting action thereon preparatory to a chemical reducing process carried out in a crucible container. The apparatus is designed to deposit a mixture of dust-forming solid materials in a container while confining the materials against escape into the surrounding atmosphere. A movable filling tube, having a compacting member, is connected to the container and to a covered hopper receiving the mixture of materials. The filling tube is capable of reciprocating in the container and their relative positions are dependent upon the pressure established upon the material by the compacting member.

  11. Engineered clay-shredded tyre mixtures as barrier materials

    SciTech Connect (OSTI)

    Al-Tabbaa, A.; Aravinthan, T.

    1997-12-31

    An engineered clay consisting of kaolin and bentonite was mixed with shredded tyre in various weight percentages and examined for use as a constituent in a landfill liner. The clay-tyre mixtures properties in terms of compaction, unconfined compressive strength, permeability to water and paraffin, leachability, stress-strain behaviour, free swell behaviour and swelling pressure were investigated. The results show that the dry density and strength reduced with the addition of tyre and also with increased tyre content but that good interaction was developed between the clay and tyre. The strain at failure increased showing reinforcing effect of the tyre. The permeability to paraffin was considerably reduced compared to that to water due to the presence of the tyre which caused high swelling pressures to develop. The leachability results indicate initial high concentrations leaching out of the soil-tyre mixtures which will be subjected to dilution in the environment. This work adds evidence to the potential advantages of using soil-tyre mixtures as a landfill liner material.

  12. Monolayer adsorption of nonrandom mixtures

    SciTech Connect (OSTI)

    Hocker, T.; Aranovich, G.L.; Donohue, M.D.

    1999-07-01

    A model for monomers on a lattice is presented based on local density calculations that were first proposed by Ono and Kondo in 1947 and recently generalized by Aranovich, Donohue, and co-workers. The model allows one to describe the adsorption behavior of molecules at a surface (or interface), and the phase behavior of adsorbed molecules, as well as of molecules in the bulk on the basis of short-range ordering in two and three dimensions. While there are prior lattice theories that predict nonrandom behavior for arbitrary lattice coordination numbers, the derivation of adsorption models from these theories is usually based on ideal fluid behavior in the bulk. However, the new adsorption model presented here is consistent in that molecular behavior in the bulk as well as in the adsorbed surface layer is based on identical assumptions. This is accomplished by calculating the total free energy of the system; the corresponding adsorption model follows through minimization of the free energy. This procedure is also used for deriving a new adsorption equation based on the quasi-chemical approximation to the Ising problem. Results from this equation are very similar to those obtained from the equation based on Ono{endash}Kondo theory. When compared with lattice Monte Carlo computer simulations, the new adsorption models based on nonrandom mixing consistently show better agreement than those based on random behavior. For simplicity, the discussion of results is restricted to single-component systems. However, the new adsorption model based on Ono{endash}Kondo theory is applicable to systems of arbitrary numbers of components without introducing any further assumptions. {copyright} {ital 1999 American Institute of Physics.}

  13. Flash evaporation of liquid monomer particle mixture

    DOE Patents [OSTI]

    Affinito, John D.; Darab, John G.; Gross, Mark E.

    1999-01-01

    The present invention is a method of making a first solid composite polymer layer. The method has the steps of (a) mixing a liquid monomer with particles substantially insoluble in the liquid monomer forming a monomer particle mixture; (b) flash evaporating the particle mixture and forming a composite vapor; and (c) continuously cryocondensing said composite vapor on a cool substrate and cross-linking the cryocondensed film thereby forming the polymer layer.

  14. Flash evaporation of liquid monomer particle mixture

    DOE Patents [OSTI]

    Affinito, J.D.; Darab, J.G.; Gross, M.E.

    1999-05-11

    The present invention is a method of making a first solid composite polymer layer. The method has the steps of (a) mixing a liquid monomer with particles substantially insoluble in the liquid monomer forming a monomer particle mixture; (b) flash evaporating the particle mixture and forming a composite vapor; and (c) continuously cryocondensing said composite vapor on a cool substrate and cross-linking the cryocondensed film thereby forming the polymer layer. 3 figs.

  15. Diffusion method of seperating gaseous mixtures

    DOE Patents [OSTI]

    Pontius, Rex B.

    1976-01-01

    A method of effecting a relatively large change in the relative concentrations of the components of a gaseous mixture by diffusion which comprises separating the mixture into heavier and lighter portions according to major fraction mass recycle procedure, further separating the heavier portions into still heavier subportions according to a major fraction mass recycle procedure, and further separating the lighter portions into still lighter subportions according to a major fraction equilibrium recycle procedure.

  16. Gas mixtures for spark gap closing switches (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Gas mixtures for spark gap closing switches Title: Gas mixtures for spark gap closing switches Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low ...

  17. Ternary gas mixture for diffuse discharge switch (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Ternary gas mixture for diffuse discharge switch Title: Ternary gas mixture for diffuse discharge switch A new diffuse discharge gas switch wherein a mixture of gases is used to ...

  18. Novel anisole mixture and gasoline containing the same

    DOE Patents [OSTI]

    Singerman, Gary M.

    1982-01-26

    A novel anisole mixture containing anisole and a mixture of alkyl anisoles and liquid hydrocarbon fuels containing said novel anisole mixture in an amount sufficient to increase the octane number of said liquid fuel composition.

  19. Binary and ternary gas mixtures with temperature enhanced diffuse...

    Office of Scientific and Technical Information (OSTI)

    Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches Title: Binary and ternary gas mixtures with temperature ...

  20. Diesel HCCI with External Mixture Preparation | Department of...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    with External Mixture Preparation Diesel HCCI with External Mixture Preparation 2004 Diesel Engine Emissions Reduction (DEER) Conference Presentation: The Ohio State University PDF ...

  1. Mixed-mode diesel HCCI with External Mixture Formation: Preliminary...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results 2003 DEER Conference ...

  2. Method and apparatus for separating mixtures of gases using an...

    Office of Scientific and Technical Information (OSTI)

    Method and apparatus for separating mixtures of gases using an acoustic wave Title: Method and apparatus for separating mixtures of gases using an acoustic wave A thermoacoustic ...

  3. Transport in a highly asymmetric binary fluid mixture (Journal...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Transport in a highly asymmetric binary fluid mixture Citation Details ... Language: English Subject: 71 CLASSICAL AND QUANTUMM MECHANICS, GENERAL PHYSICS; MIXTURES; ...

  4. In vitro - in vivo correlations for endocrine activity of a mixture of currently used pesticides

    SciTech Connect (OSTI)

    Taxvig, Camilla; Hadrup, Niels; Boberg, Julie; Axelstad, Marta; Bossi, Rossana; Bonefeld-Jørgensen, Eva Cecilie; Vinggaard, Anne Marie

    2013-11-01

    Two pesticide mixtures were investigated for potential endocrine activity. Mix 3 consisted of bitertanol, propiconazole, and cypermethrin, and Mix 5 included malathion and terbuthylazine in addition to the three pesticides in Mix 3. All five single pesticides and the two mixtures were investigated for their ability to affect steroidogenesis in vitro in H295R cells. The pesticides alone and both mixtures affected steroidogenesis with both mixtures causing increase in progesterone and decrease in testosterone. For Mix 5 an increase in estradiol was seen as well, indicating increased aromatase activity. The two mixtures were also investigated in pregnant rats dosed from gestational day 7 to 21, followed by examination of dams and fetuses. Decreased estradiol and reduced placental testosterone were seen in dams exposed to Mix 5. Also a significant increase in aromatase mRNA-levels in female adrenal glands was found for Mix5. However, either of the two mixtures showed any effects on fetal hormone levels in plasma or testis, or on anogenital distance. Overall, potential aromatase induction was found for Mix 5 both in vitro and in vivo, but not for Mix 3, an effect likely owed to terbuthylazine in Mix 5. However, the hormonal responses in vitro were only partly reflected in vivo, probably due to some toxicokinetic issues, as the pesticide levels in the amniotic fluid also were found to be negatively affected by the number of compounds present in the mixtures. Nonetheless, the H295R assay gives hints on conceivable interference with steroidogenesis, thus generating hypotheses on in vivo effects. - Highlights: • The study examines the endocrine disrupting potential of mixtures of pesticides. • All single pesticides and both mixtures affected steroidogenesis in vitro. • Potential aromatase induction was found for Mix 5 both in vitro and in vivo. • The hormonal responses in vitro were only partly reflected in vivo.

  5. Statistical dynamics of classical systems: A self-consistent field approach

    SciTech Connect (OSTI)

    Grzetic, Douglas J. Wickham, Robert A.; Shi, An-Chang

    2014-06-28

    We develop a self-consistent field theory for particle dynamics by extremizing the functional integral representation of a microscopic Langevin equation with respect to the collective fields. Although our approach is general, here we formulate it in the context of polymer dynamics to highlight satisfying formal analogies with equilibrium self-consistent field theory. An exact treatment of the dynamics of a single chain in a mean force field emerges naturally via a functional Smoluchowski equation, while the time-dependent monomer density and mean force field are determined self-consistently. As a simple initial demonstration of the theory, leaving an application to polymer dynamics for future work, we examine the dynamics of trapped interacting Brownian particles. For binary particle mixtures, we observe the kinetics of phase separation.

  6. Coal-water mixture fuel burner

    DOE Patents [OSTI]

    Brown, T.D.; Reehl, D.P.; Walbert, G.F.

    1985-04-29

    The present invention represents an improvement over the prior art by providing a rotating cup burner arrangement for use with a coal-water mixture fuel which applies a thin, uniform sheet of fuel onto the inner surface of the rotating cup, inhibits the collection of unburned fuel on the inner surface of the cup, reduces the slurry to a collection of fine particles upon discharge from the rotating cup, and further atomizes the fuel as it enters the combustion chamber by subjecting it to the high shear force of a high velocity air flow. Accordingly, it is an object of the present invention to provide for improved combustion of a coal-water mixture fuel. It is another object of the present invention to provide an arrangement for introducing a coal-water mixture fuel into a combustion chamber in a manner which provides improved flame control and stability, more efficient combustion of the hydrocarbon fuel, and continuous, reliable burner operation. Yet another object of the present invention is to provide for the continuous, sustained combustion of a coal-water mixture fuel without the need for a secondary combustion source such as natural gas or a liquid hydrocarbon fuel. Still another object of the present invention is to provide a burner arrangement capable of accommodating a coal-water mixture fuel having a wide range of rheological and combustion characteristics in providing for its efficient combustion. 7 figs.

  7. Method of absorbing UF.sub.6 from gaseous mixtures in alkamine absorbents

    DOE Patents [OSTI]

    Lafferty, Robert H.; Smiley, Seymour H.; Radimer, Kenneth J.

    1976-04-06

    A method of recovering uranium hexafluoride from gaseous mixtures employing as an absorbent a liquid composition at least one of the components of which is chosen from the group consisting of ethanolamine, diethanolamine, and 3-methyl-3-amino-propane-diol-1,2.

  8. Detailed Kinetic Modeling of Gasoline Surrogate Mixtures

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K

    2009-03-09

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  9. Steam drying of products containing solvent mixtures

    SciTech Connect (OSTI)

    Pothmann, E.; Schluender, E.U. [Univ. Karlsruhe (Germany). Inst. fuer Thermische Verfahrenstechnik

    1995-12-31

    Drying experiments with single, porous spheres wetted with mixtures of 2-propanol and water were performed using superheated steam, air, or steam-air mixtures as drying agent. Both the drying rate and the moisture composition were determined experimentally for different temperatures and compositions of the drying agent and for different initial compositions of the moisture. It is shown that evaporation of 2-propanol is enhanced by using superheated steam as drying agent instead of air due to steam condensing on the sample. While the overall drying rate increases with rising steam temperature, the evaporation rate of 2-propanol is hardly affected. When drying samples containing mixtures of 2-propanol and water, internal boiling can occur depending on the vapor-liquid equilibrium. Vapor generated inside the sample may cause mechanical dewatering of the sample which greatly increases the drying rate.

  10. Oxidative particle mixtures for groundwater treatment

    DOE Patents [OSTI]

    Siegrist, Robert L.; Murdoch, Lawrence C.

    2000-01-01

    The invention is a method and a composition of a mixture for degradation and immobilization of contaminants in soil and groundwater. The oxidative particle mixture and method includes providing a material having a minimal volume of free water, mixing at least one inorganic oxidative chemical in a granular form with a carrier fluid containing a fine grained inorganic hydrophilic compound and injecting the resulting mixture into the subsurface. The granular form of the inorganic oxidative chemical dissolves within the areas of injection, and the oxidative ions move by diffusion and/or advection, therefore extending the treatment zone over a wider area than the injection area. The organic contaminants in the soil and groundwater are degraded by the oxidative ions, which form solid byproducts that can sorb significant amounts of inorganic contaminants, metals, and radionuclides for in situ treatment and immobilization of contaminants. The method and composition of the oxidative particle mixture for long-term treatment and immobilization of contaminants in soil and groundwater provides for a reduction in toxicity of contaminants in a subsurface area of contamination without the need for continued injection of treatment material, or for movement of the contaminants, or without the need for continuous pumping of groundwater through the treatment zone, or removal of groundwater from the subsurface area of contamination.

  11. Superconductor precursor mixtures made by precipitation method

    DOE Patents [OSTI]

    Bunker, Bruce C.; Lamppa, Diana L.; Voigt, James A.

    1989-01-01

    Method and apparatus for preparing highly pure homogeneous precursor powder mixtures for metal oxide superconductive ceramics. The mixes are prepared by instantaneous precipitation from stoichiometric solutions of metal salts such as nitrates at controlled pH's within the 9 to 12 range, by addition of solutions of non-complexing pyrolyzable cations, such as alkyammonium and carbonate ions.

  12. Methods and systems for deacidizing gaseous mixtures

    DOE Patents [OSTI]

    Hu, Liang

    2010-05-18

    An improved process for deacidizing a gaseous mixture using phase enhanced gas-liquid absorption is described. The process utilizes a multiphasic absorbent that absorbs an acid gas at increased rate and leads to reduced overall energy costs for the deacidizing operation.

  13. Laminar flame speeds of moist syngas mixtures

    SciTech Connect (OSTI)

    Das, Apurba K. [Department of Mechanical and Aerospace Engineering, Case Western Reserve University, Cleveland, OH 44106 (United States); Kumar, Kamal; Sung, Chih-Jen [Department of Mechanical Engineering, University of Connecticut, Storrs, CT 06269 (United States)

    2011-02-15

    This work experimentally investigates the effect of the presence of water vapor on the laminar flame speeds of moist syngas/air mixtures using the counterflow twin-flame configuration. The experimental results presented here are for fuel lean syngas mixtures with molar percentage of hydrogen in the hydrogen and carbon monoxide mixture varying from 5% to 100%, for an unburned mixture temperature of 323 K, and under atmospheric pressure. At a given equivalence ratio, the effect of varying amount of water vapor addition on the measured laminar flame speed is demonstrated. The experimental laminar flame speeds are also compared with computed values using chemical kinetic mechanisms reported in the literature. It is found that laminar flame speed varies non-monotonically with addition of water for the carbon monoxide rich mixtures. It first increases with increasing amount of water addition, reaches a maximum value, and then decreases. An integrated reaction path analysis is further conducted to understand the controlling mechanism responsible for the non-monotonic variation in laminar flame speed due to water addition. On the other hand, for higher values of H{sub 2}/CO ratio the laminar flame speed monotonically decreases with increasing water addition. It is shown that the competition between the chemical and thermal effects of water addition leads to the observed response. Furthermore, reaction rate sensitivity analysis as well as binary diffusion coefficient sensitivity analysis are conducted to identify the possible sources of discrepancy between the experimental and predicted values. The sensitivity results indicate that the reaction rate constant of H{sub 2}+OH = H{sub 2}O+H is worth revisiting and refinement of binary diffusion coefficient data of N{sub 2}-H{sub 2}O, N{sub 2}-H{sub 2}, and H{sub 2}-H{sub 2}O pairs can be considered. (author)

  14. Mechanistic aspects of shock-induced reactions in Ni+Al powder mixtures

    SciTech Connect (OSTI)

    Eakins, Daniel E.; Thadhani, Naresh N.

    2007-12-12

    A combination of parallel-plate impact experiments utilizing stress measurements and mesoscale numerical simulations are used to investigate the effect of particle morphology on the mechanical and chemical response of Ni+Al powder mixtures. The instrumented gas-gun impact experiments were performed at pressures up to 6 GPa. Based on measured shock velocity increases and shock compressibility changes consistent with the Ballotechnic model, the flake-based powder mixture was found to exhibit shock-induced reaction. The particle-level mechanistic details of deformation, mass-flow, and mixing, were explored through discrete particle continuum simulations, validated against the experimental results. The micron-scale spherical and flake mixtures were found to display widely varying configurational changes at several length scales, which give insight into why the flake-Ni morphology is more susceptible to shock-induced reactions under the imposed conditions.

  15. Parametric performance analysis of OTEC system using HFC32/HFC134a mixtures

    SciTech Connect (OSTI)

    Uehara, Haruo; Ikegami, Yasuyuki

    1995-11-01

    Parametric performance analysis is performed on an Ocean Thermal Energy Conversion (OTEC) system using HFC32/HFC134a mixtures as working fluid. The analyzed OTEC system uses the Kalina cycle. The parameters in the performance analysis consist of the warm sea water inlet temperature, the cold sea water inlet temperature, the heat transfer performance of the evaporator, condenser and regenerator, the turbine inlet pressure, the turbine inlet temperature, the molar fraction of HFC32. Effects of these various parameters on the efficiency of the Kalina cycle using HFC32/HFC134a mixtures are clarified by using this analysis, and compared with calculation results using ammonia/water mixtures as working fluid. The thermal efficiency of OTEC system using the Kalina cycle can reach up to about 5 percent with an inlet warm sea water temperature of 28 C and an inlet cold sea water temperature of 4 C.

  16. Dual-water mixture fuel burner

    DOE Patents [OSTI]

    Brown, Thomas D.; Reehl, Douglas P.; Walbert, Gary F.

    1986-08-05

    A coal-water mixture (CWM) burner includes a conically shaped rotating cup into which fuel comprised of coal particles suspended in a slurry is introduced via a first, elongated inner tube coupled to a narrow first end portion of the cup. A second, elongated outer tube is coaxially positioned about the first tube and delivers steam to the narrow first end of the cup. The fuel delivery end of the inner first tube is provided with a helical slot on its lateral surface for directing the CWM onto the inner surface of the rotating cup in the form of a uniform, thin sheet which, under the influence of the cup's centrifugal force, flows toward a second, open, expanded end portion of the rotating cup positioned immediately adjacent to a combustion chamber. The steam delivered to the rotating cup wets its inner surface and inhibits the coal within the CWM from adhering to the rotating cup. A primary air source directs a high velocity air flow coaxially about the expanded discharge end of the rotating cup for applying a shear force to the CWM in atomizing the fuel mixture for improved combustion. A secondary air source directs secondary air into the combustion chamber adjacent to the outlet of the rotating cup at a desired pitch angle relative to the fuel mixture/steam flow to promote recirculation of hot combustion gases within the ignition zone for increased flame stability.

  17. Ethane-xenon mixtures under shock conditions

    SciTech Connect (OSTI)

    Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; Cochrane, Kyle Robert; Flicker, Dawn G.

    2015-04-22

    Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. In order to validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. Furthermore, the DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.

  18. Separation of gas mixtures by thermoacoustic waves.

    SciTech Connect (OSTI)

    Swift, G. W.; Geller, D. A.

    2001-01-01

    Imposing sound on a binary gas mixture in a duct separates the two gases along the acoustic-propagation axis. Mole-fraction differences as large as 10% and separation fluxes as high as 0.001 M-squared c, where M is Mach number and c is sound speed, are easily observed. We describe the accidental discovery of this phenomenon in a helium-xenon mixture, subsequent experiments with a helium-argon mixture, and theoretical developments. The phenomenon occurs because a thin layer of the gas adjacent to the wall is immobilized by viscosity while the rest of the gas moves back and forth with the wave, and the heat capacity of the wall holds this thin layer of the gas at constant temperature while the rest of the gas experiences temperature oscillations due to the wave's oscillating pressure. The oscillating temperature gradient causes the light and heavy atoms in the gas to take turns diffusing into and out of the immobilized layer, so that the oscillating motion of the wave outside the immobilized layer tends to carry light-enriched gas in one direction and heavy-enriched gas in the opposite direction. Experiment and theory are in very good agreement for the initial separation fluxes and the saturation mole-fraction differences.

  19. SEPARATION OF GAS MIXTURES BY THERMOACOUSTIC WAVES

    SciTech Connect (OSTI)

    G.W. SWIFT; D.A. GELLER; P.S. SPOOR

    2001-06-01

    Imposing sound on a binary gas mixture in a duct separates the two gases along the acoustic-propagation axis. Mole-fraction differences as large as 10% and separation fluxes as high as 0.001 M-squared c, where M is Mach number and c is sound speed, are easily observed. We describe the accidental discovery of this phenomenon in a helium-xenon mixture, subsequent experiments with a helium-argon mixture, and theoretical developments. The phenomenon occurs because a thin layer of the gas adjacent to the wall is immobilized by viscosity while the rest of the gas moves back and forth with the wave, and the heat capacity of the wall holds this thin layer of the gas at constant temperature while the rest of the gas experiences temperature oscillations due to the wave's oscillating pressure. The oscillating temperature gradient causes the light and heavy atoms in the gas to take turns diffusing into and out of the immobilized layer, so that the oscillating motion of the wave outside the immobilized layer tends to carry light-enriched gas in one direction and heavy-enriched gas in the opposite direction. Experiment and theory are in very good agreement for the initial separation fluxes and the saturation mole-fraction differences.

  20. Ethane-xenon mixtures under shock conditions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; Cochrane, Kyle Robert; Flicker, Dawn G.

    2015-04-22

    Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. In order to validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. Furthermore, themore » DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.« less

  1. Generalized contexts and consistent histories in quantum mechanics

    SciTech Connect (OSTI)

    Losada, Marcelo; Laura, Roberto

    2014-05-15

    We analyze a restriction of the theory of consistent histories by imposing that a valid description of a physical system must include quantum histories which satisfy the consistency conditions for all states. We prove that these conditions are equivalent to imposing the compatibility conditions of our formalism of generalized contexts. Moreover, we show that the theory of consistent histories with the consistency conditions for all states and the formalism of generalized context are equally useful representing expressions which involve properties at different times.

  2. Liquid class predictor for liquid handling of complex mixtures

    DOE Patents [OSTI]

    Seglke, Brent W.; Lekin, Timothy P.

    2008-12-09

    A method of establishing liquid classes of complex mixtures for liquid handling equipment. The mixtures are composed of components and the equipment has equipment parameters. The first step comprises preparing a response curve for the components. The next step comprises using the response curve to prepare a response indicator for the mixtures. The next step comprises deriving a model that relates the components and the mixtures to establish the liquid classes.

  3. Development and evaluation of coal/water mixture combustion technology. Final report

    SciTech Connect (OSTI)

    Scheffee, R.S.; Rossmeissl, N.P.; Skolnik, E.G.; McHale, E.T.

    1981-08-01

    The objective was to advance the technology for the preparation, storage, handling and combustion of highly-loaded coal/water mixtures. A systematic program to prepare and experimentally evaluate coal/water mixtures was conducted to develop mixtures which (1) burn efficiently using combustion chambers and burners designed for oil, (2) can be provided at a cost less than that of No. 6 oil, and (3) can be easily transported and stored. The program consisted of three principal tasks. The first was a literature survey relevant to coal/water mixture technology. The second involved slurry preparation and evaluation of rheological and stability properties, and processing techniques. The third consisted of combustion tests to characterize equipment and slurry parameters. The first task comprised a complete search of the literature, results of which are tabulated in Appendix A. Task 2 was involved with the evaluation of composition and process variables on slurry rheology and stability. Three bituminous coals, representing a range of values of volatile content, ash content, and hardness were used in the slurries. Task 3 was concerned with the combustion behavior of coal/water slurry. The studies involved first upgrading of an experimental furnace facility, which was used to burn slurry fuels, with emphasis on studying the effect on combustion of slurry properties such as viscosity and particle size, and the effect of equipment parameters such as secondary air preheat and atomization.

  4. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures

    SciTech Connect (OSTI)

    Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.

    2015-04-07

    This article reports results from the molecular dynamics simulations on the structural arrangement of the ions and molecules in the mixtures of trihexyl(tetradecyl)phosphonium chloride ([P{sub 666,14}{sup +}][Cl{sup ?}]) ionic liquid (IL) and methanol (MeOH) over the entire composition range. Effects of composition on the charge and polarity orderings have been investigated via computation of X-ray scattering structure function, S(q), and by using a partitioning scheme proposed for such multi-component mixtures. Except for the neat methanol liquid, the total S(q) shows two peaks in its intermolecular region for all the mole-fractions. The lowest q peak is dominated primarily by anion-anion, cation-anion, and methanol-anion correlations. Our results signify that the methanol bulk structure, which predominantly has short-distance characteristic correlations and is governed by polar group of methanol, is retained for x{sub IL} ? 0.1. Then, the mixture goes through gradual structural changes from methanol-like to the IL-like for 0.1 < x{sub IL} ? 0.7. The dipolar interaction between methanol molecules weakens in this range, and the structural landscape of the mixture is steered by strong ion-ion, anion-methanol, and nonpolar interactions. The IL-like structural arrangement is virtually recovered for x{sub IL} > 0.7. At all the compositions studied, while the cation head groups are predominantly solvated by anions and subsequently by methanol molecules, the polar hydroxyl group of methanol is preferentially solvated by the anions. The radial distribution functions of selected pair of atomic species have also confirmed these observations.

  5. Operation of drift chambers with helium based mixtures

    SciTech Connect (OSTI)

    Sharma, A. ); Sauli, F. )

    1994-08-01

    Helium based gas mixtures have been investigated for lowering multiple scattering contributions to the momentum resolution for intermediate energy particles. The relevant transport parameters, namely drift velocity and diffusion have been calculated for several mixtures and compared to standard argon based mixtures. Some fast, low diffusion mixtures have been identified. The small Lorentz angle computed make them promising candidates for drift chamber operation in magnetic fields. Measurements on high accuracy drift chambers in a test beam with a helium-DME (dimethyl ether) (70-30) mixture have resulted in a spatial resolution ranging from 70[mu]m to 100[mu]m.

  6. Leaching of Mixtures of Biochar and Fly Ash

    SciTech Connect (OSTI)

    Palumbo, Anthony Vito; Porat, Iris; Phillips, Jana Randolph; Amonette, J. E.; Drake, Meghan M; Brown, Steven D; Schadt, Christopher Warren

    2009-01-01

    Increasing atmospheric levels of greenhouse gases, especially CO2, and their effects on global temperature have led to interest in the possibility of carbon storage in terrestrial environments.2, 5, 6 Both the residual char from biomass pyrolysis7-9, 12 (biochar) and fly ash from coal combustion1, 13, 14 have the potential to significantly expand terrestrial sequestration options. Both biochar and fly ash also have potentially beneficial effects on soil properties. Fly ash has been shown to increase porosity, water-holding capacity, pH, conductivity, and dissolved SO42-, CO32-, Cl- and basic cations.10, 11, 16 Adding biochar to soil generally raises pH, increases total nitrogen and total phosphorous, encourages greater root development, improves cation exchange capacity and reduces available aluminum.3, 17 Combinations of these benefits likely lead to the observed increased yields for crops including corn and sugarcane.17 with biochar addition to soil. In addition, it has been found that soils with added biochar emit lower amounts of other greenhouse gases (methane and nitrous oxide) 8, 17 than do unammended soils. Biochar and fly ash amendments may be useful in promoting terrestrial carbon sequestration on currently underutilized and degraded lands. For example, about 1% of the US surface lands consist of previously mined lands or highway rights-of-way.18 Poorly managed lands could count for another 15% of US area. Biochar and fly ash amendments could increase productivity of these lands and increase carbon storage in the soil Previous results showed minimal leaching of organic carbon and metals from a variety of fly ashes.15 Here, we are examining the properties of mixtures of biochar, fly ash, and soil and evaluating leaching of organic carbon and metals from the mixtures.

  7. A Probabilistic Approach to Site-Specific, Hazard-Consistent

    Office of Environmental Management (EM)

    Vertical-to-Horizontal Spectral Ratio Model | Department of Energy Approach to Site-Specific, Hazard-Consistent Vertical-to-Horizontal Spectral Ratio Model A Probabilistic Approach to Site-Specific, Hazard-Consistent Vertical-to-Horizontal Spectral Ratio Model A Probabilistic Approach to Site-Specific, Hazard-Consistent Vertical-to-Horizontal Spectral Ratio Model Rizzo Associates Presented at U.S. DOE Natural Phenomena Hazards Meeting October 21, 2014 A Probabilistic Approach to

  8. Foaming characteristics of refigerant/lubricant mixtures

    SciTech Connect (OSTI)

    Goswami, D.Y.; Shah, D.O.; Jotshi, C.K.; Bhagwat, S.; Leung, M.; Gregory, A.

    1997-04-01

    The air-conditioning and refrigeration industry has moved to HFC refrigerants which have zero ozone depletion and low global warming potential due to regulations on CFC and HCFC refrigerants and concerns for the environment. The change in refrigerants has prompted the switch from mineral oil and alkylbenzene lubricants to polyolester-based lubricants. This change has also brought about a desire for lubricant, refrigerant and compressor manufacturers to understand the foaming properties of alternative refrigerant/ lubricant mixtures, as well as the mechanisms which affect these properties. The objectives of this investigation are to experimentally determine the foaming absorption and desorption rates of HFC and blended refrigerants in polyolester lubricant and to define the characteristics of the foam formed when the refrigerant leaves the refrigerant/ lubricant mixture after being exposed to a pressure drop. The refrigerants being examined include baseline refrigerants: CFC-12 (R-12) and HCFC-22 (R-22); alternative refrigerants: HFC-32 (R-32), R-125, R-134a, and R-143a; and blended refrigerants: R-404A, R-407C, and R-410A. The baseline refrigerants are tested with ISO 32 (Witco 3GS) and ISO 68 (4GS) mineral oils while the alternative and blended refrigerants are tested with two ISO 68 polyolesters (Witco SL68 and ICI RL68H).

  9. Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium

    SciTech Connect (OSTI)

    Horowitz, Jordan M.

    2015-07-28

    The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

  10. Self-consistent second-order Green's function perturbation theory...

    Office of Scientific and Technical Information (OSTI)

    Self-consistent second-order Green's function perturbation theory for periodic systems ... Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud ...

  11. California Department of Fish and Wildlife Consistency Determination...

    Open Energy Info (EERE)

    California Department of Fish and Wildlife Consistency Determination Webpage Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: California Department of...

  12. A consistent second order projection scheme for simulating transient...

    Office of Scientific and Technical Information (OSTI)

    flow with Smoothed Particle Hydrodynamics. Citation Details In-Document Search Title: A consistent second order projection scheme for simulating transient viscous flow with ...

  13. Efficient self-consistent quantum transport simulator for quantum...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Efficient self-consistent quantum transport simulator for quantum ... DOE Contract Number: DE-AC04-94AL85000 Resource Type: Journal Article Resource Relation: ...

  14. Urea and deuterium mixtures at high pressures

    SciTech Connect (OSTI)

    Donnelly, M. Husband, R. J.; Frantzana, A. D.; Loveday, J. S.; Bull, C. L.; Klotz, S.

    2015-03-28

    Urea, like many network forming compounds, has long been known to form inclusion (guest-host) compounds. Unlike other network formers like water, urea is not known to form such inclusion compounds with simple molecules like hydrogen. Such compounds if they existed would be of interest both for the fundamental insight they provide into molecular bonding and as potential gas storage systems. Urea has been proposed as a potential hydrogen storage material [T. A. Strobel et al., Chem. Phys. Lett. 478, 97 (2009)]. Here, we report the results of high-pressure neutron diffraction studies of urea and D{sub 2} mixtures that indicate no inclusion compound forms up to 3.7 GPa.

  15. Scintillating Cocktail Mixtures and the Role of Water on the Optophysical Properties.

    SciTech Connect (OSTI)

    Cordaro, Joseph Gabriel; Feng, Patrick L.; Mengesha, Wondwosen; Murtagh, Dustin; Anstey, Mitchell

    2015-10-01

    Two types of water - containing liquid scinti llation mixtures were prepared in the present work. In the first, m ixtures of 2 - phenylethanol, water, diphenyl phosphate, sodium phenyl phosphate dibasic dihydrate, and the dye 2,5 - diphenyloxazole (PPO) have been investigated as liquid scintillators. In th e second system, nonionic and mixed surfactant systems were investigated in conjunction with water and small amounts of toluene. In both cases, increasing amounts of water led to reductions in the scintillation light yield. Understanding what factors contr ibute to this phenomenon is the focus of this report. Changes in the solution microphase structure, diminishing aromatic content of the cocktail mixtures, and inefficient energy transfer to the dye a ppear to be responsible for the decreased light yield as more water is added . In the 2 - phenylethanol system, the observed experimental results are consistent with the formation of a bicontinuous microemulsion at higher water concentrations, which incorporates PPO and shields it from the quenching effects of the increasing polar matrix. Evidence for this proposed phase chan ge c ome s from light scattering data, photo - and x - ray luminescence measurements, and optical transparency measurements . In the surfactant - based system, the quenching effect of water was found to be less than both commercially - available dioxane - naphthalene mixtures used for scintillation counting as well as the 2 - phenylethanol mixtures described above. The effect of different surfactant mixtures and concentrations were studied, revealing a benefic ial effect upon the scintillation light yield for mixed surfactant mixtures. These results are interpreted in the context of r eactive radical species formation following water ionization , which leads to light - yield quenching in aqueous systems . The presenc e of surfactant(s) in these mixtures enables the formation of organic - rich regions that are spatially separated from the

  16. BILIWG: Consistent "Figures of Merit" (Presentation)

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    BILIWG: Consistent "Figures of Merit" A finite set of results reported in consistent units * To track progress of individual projects on a consistent basis * To enable comparing projects in a transparent manner Potential BILIWG Figures of Merit Key BILI Distributed Reforming Targets * Cost ($/kg of H2): H2A analysis - Distributed reforming station,1000 kg/day ave./daily dispensed, 5000/6250 psi (and 10,000/12,000 psi) dispensing, 500 units/yr. * nth unit vs. 500 units/yr ? * production

  17. Nuclear fuel alloys or mixtures and method of making thereof

    DOE Patents [OSTI]

    Mariani, Robert Dominick; Porter, Douglas Lloyd

    2016-04-05

    Nuclear fuel alloys or mixtures and methods of making nuclear fuel mixtures are provided. Pseudo-binary actinide-M fuel mixtures form alloys and exhibit: body-centered cubic solid phases at low temperatures; high solidus temperatures; and/or minimal or no reaction or inter-diffusion with steel and other cladding materials. Methods described herein through metallurgical and thermodynamics advancements guide the selection of amounts of fuel mixture components by use of phase diagrams. Weight percentages for components of a metallic additive to an actinide fuel are selected in a solid phase region of an isothermal phase diagram taken at a temperature below an upper temperature limit for the resulting fuel mixture in reactor use. Fuel mixtures include uranium-molybdenum-tungsten, uranium-molybdenum-tantalum, molybdenum-titanium-zirconium, and uranium-molybdenum-titanium systems.

  18. Self-consistency tests of large-scale dynamics parameterizations...

    Office of Scientific and Technical Information (OSTI)

    In self-consistency tests based on radiative-convective equilibrium (RCE; i.e., no large-scale convergence), we find that simulations either weakly coupled or strongly coupled to ...

  19. Consistent description of kinetics and hydrodynamics of dusty plasma

    SciTech Connect (OSTI)

    Markiv, B.; Tokarchuk, M.; National University Lviv Polytechnic, 12 Bandera St., 79013 Lviv

    2014-02-15

    A consistent statistical description of kinetics and hydrodynamics of dusty plasma is proposed based on the Zubarev nonequilibrium statistical operator method. For the case of partial dynamics, the nonequilibrium statistical operator and the generalized transport equations for a consistent description of kinetics of dust particles and hydrodynamics of electrons, ions, and neutral atoms are obtained. In the approximation of weakly nonequilibrium process, a spectrum of collective excitations of dusty plasma is investigated in the hydrodynamic limit.

  20. Determining inert content in coal dust/rock dust mixture

    DOE Patents [OSTI]

    Sapko, Michael J.; Ward, Jr., Jack A.

    1989-01-01

    A method and apparatus for determining the inert content of a coal dust and rock dust mixture uses a transparent window pressed against the mixture. An infrared light beam is directed through the window such that a portion of the infrared light beam is reflected from the mixture. The concentration of the reflected light is detected and a signal indicative of the reflected light is generated. A normalized value for the generated signal is determined according to the relationship .phi.=(log i.sub.c `log i.sub.co) / (log i.sub.c100 -log i.sub.co) where i.sub.co =measured signal at 0% rock dust i.sub.c100 =measured signal at 100% rock dust i.sub.c =measured signal of the mixture. This normalized value is then correlated to a predetermined relationship of .phi. to rock dust percentage to determine the rock dust content of the mixture. The rock dust content is displayed where the percentage is between 30 and 100%, and an indication of out-of-range is displayed where the rock dust percent is less than 30%. Preferably, the rock dust percentage (RD%) is calculated from the predetermined relationship RD%=100+30 log .phi.. where the dust mixture initially includes moisture, the dust mixture is dried before measuring by use of 8 to 12 mesh molecular-sieves which are shaken with the dust mixture and subsequently screened from the dust mixture.

  1. Specific heat and thermal conductivity of explosives, mixtures...

    Office of Scientific and Technical Information (OSTI)

    Specific heat and thermal conductivity of explosives, mixtures, and plastic-bonded explosives determined experimentally Baytos, J.F. 45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL...

  2. A simplified procedure for estimation of mixture permeances from...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    simplified procedure for estimation of mixture permeances from unary permeation data Previous Next List Rajamani Krishna, Jasper M. van Baten, J. Membr. Sci., 367, 204-210 (2011)...

  3. Prediction of New Hydrogen Storage Compounds and Mixtures

    Broader source: Energy.gov [DOE]

    Presentation on the Prediction of New Hydrogen Storage Compounds and Mixtures given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006.

  4. Characterization and modeling of multiphase mixtures from deep, subsea wells

    SciTech Connect (OSTI)

    Song, S.; Hill, A.D.

    1996-09-01

    The effects of flow in a vertical pipe on the flow in subsequent horizontal pipes were investigated by performing both experimental and theoretical studies. This geometry mimics production from subsea wells connected to subsea horizontal flow lines. The fluids were conducted into a 153-meter deep well through two different casings, allowing the mixtures to flow up through a 5.08 cm ID vertical pipe and then into a horizontal flow loop which consists of two pipes with 6.35 cm ID and 18.4 cm ID, respectively. The flow regime behaviors in the horizontal pipes were studied for a wide range of flow rates. From the tests, it was found that the flow regimes in the small horizontal pipe were greatly affected by the flows in the vertical pipe while the flow regimes in the large horizontal pipe were hardly affected. A theoretical model based on wave mechanics was developed to simulate the process of the liquid slugs formed in the vertical pipe being carried over into the horizontal pipe. The theoretical predictions matched the experimental observations very well. The results of this study will greatly benefit the understanding of the flow regime behavior that will occur in deep, subsea flow lines transporting multiple phases from subsea completions.

  5. Process for the synthesis of aliphatic alcohol-containing mixtures

    DOE Patents [OSTI]

    Greene, M.I.; Gelbein, A.P.

    1984-10-16

    A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200 to 450 C and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

  6. Process for the synthesis of aliphatic alcohol-containing mixtures

    DOE Patents [OSTI]

    Greene, Marvin I.; Gelbein, Abraham P.

    1984-01-01

    A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200.degree. to 450.degree. C. and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

  7. Nanostructures of Liquid Crystal Phases in Mixtures of Bent-core and Rod-shaped Molecules

    SciTech Connect (OSTI)

    S Hong; R Verduzco; J Gleeson; S Sprunt; A Jakli

    2011-12-31

    We report small angle x-ray scattering (SAXS) studies of isotropic, nematic, and smectic mesophases formed by binary mixtures of bent-core (BC) and rod-shaped (RS) molecules. While optical studies indicate that the components are fully miscible, SAXS reveals fascinating structures that are consistent with segregation on a nanoscopic scale. We find that tilted smectic clusters, which have been previously reported in both the nematic and isotropic states of the pure BC materials, are also present in mixtures with up to 50 wt% of the RS compound; this is consistent with previous dielectric and flexoelectric studies on such mixtures. Unexpectedly in this concentration range the clusters are present in the isotropic and in the induced smectic phase range, as well as throughout the nematic phase. The results in the smectic phase also reveal complex layering phenomena, providing important insight into the interaction between bent and rod-shaped molecules. These studies will be crucial in the design of promising new functional nanomaterials.

  8. Nanostructures of liquid crystal phases in mixtures of bent-core and rod-shaped molecules

    SciTech Connect (OSTI)

    Hong, S. H.; Gleeson, J. T.; Sprunt, S.; Verduzco, R.; Jakli, A.

    2011-06-15

    We report small angle x-ray scattering (SAXS) studies of isotropic, nematic, and smectic mesophases formed by binary mixtures of bent-core (BC) and rod-shaped (RS) molecules. While optical studies indicate that the components are fully miscible, SAXS reveals fascinating structures that are consistent with segregation on a nanoscopic scale. We find that tilted smectic clusters, which have been previously reported in both the nematic and isotropic states of the pure BC materials, are also present in mixtures with up to 50 wt% of the RS compound; this is consistent with previous dielectric and flexoelectric studies on such mixtures. Unexpectedly in this concentration range the clusters are present in the isotropic and in the induced smectic phase range, as well as throughout the nematic phase. The results in the smectic phase also reveal complex layering phenomena, providing important insight into the interaction between bent and rod-shaped molecules. These studies will be crucial in the design of promising new functional nanomaterials.

  9. Hydrodynamic 'memory' of binary fluid mixtures

    SciTech Connect (OSTI)

    Kalashnik, M. V.; Ingel, L. Kh.

    2006-07-15

    A theoretical analysis is presented of hydrostatic adjustment in a two-component fluid system, such as seawater stratified with respect to temperature and salinity. Both linear approximation and nonlinear problem are investigated. It is shown that scenarios of relaxation to a hydrostatically balanced state in binary fluid mixtures may substantially differ from hydrostatic adjustment in fluids that can be stratified only with respect to temperature. In particular, inviscid two-component fluids have 'memory': a horizontally nonuniform disturbance in the initial temperature or salinity distribution does not vanish even at the final stage, transforming into a persistent thermohaline 'trace.' Despite stability of density stratification and convective stability of the fluid system by all known criteria, an initial temperature disturbance may not decay and may even increase in amplitude. Moreover, its sign may change (depending on the relative contributions of temperature and salinity to stable background density stratification). Hydrostatic adjustment may involve development of discontinuous distributions from smooth initial temperature or concentration distributions. These properties of two-component fluids explain, in particular, the occurrence of persistent horizontally or vertically nonuniform temperature and salinity distributions in the ocean, including discontinuous ones.

  10. Consistent interaction vertices in arbitrary topological BF theories

    SciTech Connect (OSTI)

    Bizdadea, C.; Cioroianu, E. M.; Saliu, S. O.; Sararu, S. C.; Stanciu-Oprean, L.

    2013-11-13

    Here we extend the previous results from [12] to the computation of all consistent self-interactions for topological BF theories with maximal field spectra in D =5,6,7,8 and present some partial results on possible generalizations on a space-time of arbitrary dimension D. For convenience, the deformation of the solution to the master equation in the context of the BRST-antifield formalism is used as a general method of constructing consistent interacting gauge field theories together with most of the standard hypotheses on quantum field theories on Minkowski space-times.

  11. Exact solution of the self-consistent Vlasov equation

    SciTech Connect (OSTI)

    Morawetz, K.

    1997-03-01

    An analytical solution of the self-consistent Vlasov equation is presented. The time evolution is entirely determined by the initial distribution function. The largest Lyapunov exponent is calculated analytically. For special parameters of the potential a positive Lyapunov exponent is possible. This model may serve as a check for numerical codes solving self-consistent Vlasov equations. The here presented method is also applicable for any system with an analytical solution of the Hamilton equation for the form factor of the potential. {copyright} {ital 1997} {ital The American Physical Society}

  12. Consistency test of neutrinoless double beta decay with one isotope

    SciTech Connect (OSTI)

    Duerr, Michael; Lindner, Manfred [Max-Planck-Institut fuer Kernphysik, Postfach 10 39 80, 69029 Heidelberg (Germany); Zuber, Kai [Technical University Dresden, Institut fuer Kern- und Teilchenphysik, 01069 Dresden (Germany)

    2011-11-01

    We discuss a consistency test which makes it possible to discriminate unknown nuclear background lines from neutrinoless double beta decay with only one isotope. By considering both the transition to the ground state and to the first excited 0{sup +} state, a sufficiently large detector can reveal if neutrinoless double beta decay or some other nuclear physics process is at work. Such a detector could therefore simultaneously provide a consistency test for a certain range of Majorana masses and be sensitive to lower values of the effective Majorana mass .

  13. System for identifying known materials within a mixture of unknowns

    DOE Patents [OSTI]

    Wagner, John S.

    1999-01-01

    One or both of two methods and systems are used to determine concentration of a known material in an unknown mixture on the basis of the measured interaction of electromagnetic waves upon the mixture. One technique is to utilize a multivariate analysis patch technique to develop a library of optimized patches of spectral signatures of known materials containing only those pixels most descriptive of the known materials by an evolutionary algorithm. Identity and concentration of the known materials within the unknown mixture is then determined by minimizing the residuals between the measurements from the library of optimized patches and the measurements from the same pixels from the unknown mixture. Another technique is to train a neural network by the genetic algorithm to determine the identity and concentration of known materials in the unknown mixture. The two techniques may be combined into an expert system providing cross checks for accuracy.

  14. Method for identifying known materials within a mixture of unknowns

    DOE Patents [OSTI]

    Wagner, John S.

    2000-01-01

    One or both of two methods and systems are used to determine concentration of a known material in an unknown mixture on the basis of the measured interaction of electromagnetic waves upon the mixture. One technique is to utilize a multivariate analysis patch technique to develop a library of optimized patches of spectral signatures of known materials containing only those pixels most descriptive of the known materials by an evolutionary algorithm. Identity and concentration of the known materials within the unknown mixture is then determined by minimizing the residuals between the measurements from the library of optimized patches and the measurements from the same pixels from the unknown mixture. Another technique is to train a neural network by the genetic algorithm to determine the identity and concentration of known materials in the unknown mixture. The two techniques may be combined into an expert system providing cross checks for accuracy.

  15. System for identifying known materials within a mixture of unknowns

    DOE Patents [OSTI]

    Wagner, J.S.

    1999-07-20

    One or both of two methods and systems are used to determine concentration of a known material in an unknown mixture on the basis of the measured interaction of electromagnetic waves upon the mixture. One technique is to utilize a multivariate analysis patch technique to develop a library of optimized patches of spectral signatures of known materials containing only those pixels most descriptive of the known materials by an evolutionary algorithm. Identity and concentration of the known materials within the unknown mixture is then determined by minimizing the residuals between the measurements from the library of optimized patches and the measurements from the same pixels from the unknown mixture. Another technique is to train a neural network by the genetic algorithm to determine the identity and concentration of known materials in the unknown mixture. The two techniques may be combined into an expert system providing cross checks for accuracy. 37 figs.

  16. Consistent Data Assimilation of Isotopes: 242Pu and 105Pd

    SciTech Connect (OSTI)

    G. Palmiotti; H. Hiruta; M. Salvatores

    2012-09-01

    In this annual report we illustrate the methodology of the consistent data assimilation that allows to use the information coming from integral experiments for improving the basic nuclear parameters used in cross section evaluation. A series of integral experiments are analyzed using the EMPIRE evaluated files for 242Pu and 105Pd. In particular irradiation experiments (PROFIL-1 and -2, TRAPU-1, -2 and -3) provide information about capture cross sections, and a critical configuration, COSMO, where fission spectral indexes were measured, provides information about fission cross section. The observed discrepancies between calculated and experimental results are used in conjunction with the computed sensitivity coefficients and covariance matrix for nuclear parameters in a consistent data assimilation. The results obtained by the consistent data assimilation indicate that not so large modifications on some key identified nuclear parameters allow to obtain reasonable C/E. However, for some parameters such variations are outside the range of 1 s of their initial standard deviation. This can indicate a possible conflict between differential measurements (used to calculate the initial standard deviations) and the integral measurements used in the statistical data adjustment. Moreover, an inconsistency between the C/E of two sets of irradiation experiments (PROFIL and TRAPU) is observed for 242Pu. This is the end of this project funded by the Nuclear Physics Program of the DOE Office of Science. We can indicate that a proof of principle has been demonstrated for a few isotopes for this innovative methodology. However, we are still far from having explored all the possibilities and made this methodology to be considered proved and robust. In particular many issues are worth further investigation: • Non-linear effects • Flexibility of nuclear parameters in describing cross sections • Multi-isotope consistent assimilation • Consistency between differential and integral

  17. IGNITION IMPROVEMENT OF LEAN NATURAL GAS MIXTURES

    SciTech Connect (OSTI)

    Jason M. Keith

    2005-02-01

    This report describes work performed during a thirty month project which involves the production of dimethyl ether (DME) on-site for use as an ignition-improving additive in a compression-ignition natural gas engine. A single cylinder spark ignition engine was converted to compression ignition operation. The engine was then fully instrumented with a cylinder pressure transducer, crank shaft position sensor, airflow meter, natural gas mass flow sensor, and an exhaust temperature sensor. Finally, the engine was interfaced with a control system for pilot injection of DME. The engine testing is currently in progress. In addition, a one-pass process to form DME from natural gas was simulated with chemical processing software. Natural gas is reformed to synthesis gas (a mixture of hydrogen and carbon monoxide), converted into methanol, and finally to DME in three steps. Of additional benefit to the internal combustion engine, the offgas from the pilot process can be mixed with the main natural gas charge and is expected to improve engine performance. Furthermore, a one-pass pilot facility was constructed to produce 3.7 liters/hour (0.98 gallons/hour) DME from methanol in order to characterize the effluent DME solution and determine suitability for engine use. Successful production of DME led to an economic estimate of completing a full natural gas-to-DME pilot process. Additional experimental work in constructing a synthesis gas to methanol reactor is in progress. The overall recommendation from this work is that natural gas to DME is not a suitable pathway to improved natural gas engine performance. The major reasons are difficulties in handling DME for pilot injection and the large capital costs associated with DME production from natural gas.

  18. Gas mixture for diffuse-discharge switch

    DOE Patents [OSTI]

    Christophorou, L.G.; Carter, J.G.; Hunter, S.R.

    1982-08-31

    Gaseous medium in a diffuse-discharge switch of a high-energy pulse generator is formed of argon combined with a compound selected from the group consisting of CF/sub 4/, C/sub 2/F/sub 6/, C/sub 3/F/sub 8/, n-C/sub 4/F/sub 10/, WF/sub 6/, (CF/sub 3/)/sub 2/S and (CF/sub 3/)/sub 2/O.

  19. Gas mixture for diffuse-discharge switch

    DOE Patents [OSTI]

    Christophorou, Loucas G.; Carter, James G.; Hunter, Scott R.

    1984-01-01

    Gaseous medium in a diffuse-discharge switch of a high-energy pulse generator is formed of argon combined with a compound selected from the group consisting of CF.sub.4, C.sub.2 F.sub.6, C.sub.3 F.sub.8, n-C.sub.4 F.sub.10, WF.sub.6, (CF.sub.3).sub.2 S and (CF.sub.3).sub.2 O.

  20. Small-angle x-ray scattering measurements of the microstructure of liquid helium mixtures adsorbed in aerogel

    SciTech Connect (OSTI)

    Lurio, L. B.; Mulders, N.; Paetkau, M.; Chan, M. H. W.; Mochrie, S. G. J. [Department of Physics, Northern Illinois University, DeKalb, Illinois 60115 (United States); Department of Physics, University of Delaware, Newark, Delaware 19716 (United States); Department of Physics and Astronomy, Okanagan College, British Columbia V1Y4X8 (Canada); Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Physics, Yale University, New Haven, Connecticut 06511 (United States)

    2007-07-15

    Small-angle x-ray scattering (SAXS) was used to measure the microstructure of isotopic mixtures of {sup 3}He and {sup 4}He adsorbed into silica aerogels as a function of temperature and {sup 3}He concentration. The SAXS measurements could be well described by the formation of a nearly pure film of {sup 4}He which separates from the bulk mixture onto the aerogel strands and which thickens with decreasing temperature. Previous observations of a superfluid {sup 3}He-rich phase are consistent with superfluidity existing within this film phase. Observed differences between different density aerogels are explained in terms of the depletion of {sup 4}He from the bulk mixture due to film formation.

  1. Non-trivial checks of novel consistency relations

    SciTech Connect (OSTI)

    Berezhiani, Lasha; Khoury, Justin; Wang, Junpu E-mail: jkhoury@sas.upenn.edu

    2014-06-01

    Single-field perturbations satisfy an infinite number of consistency relations constraining the squeezed limit of correlation functions at each order in the soft momentum. These can be understood as Ward identities for an infinite set of residual global symmetries, or equivalently as Slavnov-Taylor identities for spatial diffeomorphisms. In this paper, we perform a number of novel, non-trivial checks of the identities in the context of single field inflationary models with arbitrary sound speed. We focus for concreteness on identities involving 3-point functions with a soft external mode, and consider all possible scalar and tensor combinations for the hard-momentum modes. In all these cases, we check the consistency relations up to and including cubic order in the soft momentum. For this purpose, we compute for the first time the 3-point functions involving 2 scalars and 1 tensor, as well as 2 tensors and 1 scalar, for arbitrary sound speed.

  2. On the grade consistent theories of micromorphic elastic solids

    SciTech Connect (OSTI)

    Iesan, D.

    2011-02-10

    For the investigation of specific nonlocal phenomena the second-order displacement gradient has been added to the independent constitutive variables used in the classical theories of elastic solids. In this paper we outline the hystorical development of the subject and present a nonlinear grade consistent theory of micromorphic elastic solids in which the independent constitutive variables are the deformation gradient, the second-order displacement gradient, microdeformation tensor, and microdeformation gradient. Then, we present the linearized theory and establish a uniqueness result with no definiteness assumption on the elastic coefficients. The theory is used to obtain the basic eqations of a grade consistent theory of microstretch elastic bodies. The field equations for an isotropic and homogeneous elastic body are presented. A counterpart of the Cauchy-Kowalevski-Somigliana solution of the classical elastodynamics is established.

  3. Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: Exactly solvable two-site Hubbard model

    SciTech Connect (OSTI)

    Kutepov, A. L.

    2015-07-22

    Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ₁ from the first-order perturbation theory, and the exact vertex ΓE). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. Results obtained with the exact vertex are directly related to the present open question—which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on Perturbation Theory systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.

  4. Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: Exactly solvable two-site Hubbard model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kutepov, A. L.

    2015-07-22

    Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ₁ from the first-order perturbation theory, and the exact vertex ΓE). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. Results obtained with the exact vertex are directly related to the present open question—which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT.more » It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on Perturbation Theory systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.« less

  5. Diagnostic Mass-Consistent Wind Field Monte Carlo Dispersion Model

    Energy Science and Technology Software Center (OSTI)

    1991-01-01

    MATHEW generates a diagnostic mass-consistent, three-dimensional wind field based on point measurements of wind speed and direction. It accounts for changes in topography within its calculational domain. The modeled wind field is used by the Langrangian ADPIC dispersion model. This code is designed to predict the atmospheric boundary layer transport and diffusion of neutrally bouyant, non-reactive species as well as first-order chemical reactions and radioactive decay (including daughter products).

  6. Improved gas mixtures for gas-filled particle detectors

    DOE Patents [OSTI]

    Christophorou, L.G.; McCorkle, D.L.; Maxey, D.V.; Carter, J.G.

    Improved binary and tertiary gas mixture for gas-filled particle detectors are provided. The components are chosen on the basis of the principle that the first component is one gas or mixture of two gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a gas (Ar) having a very small cross section at and below about 0.5 eV; whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electron field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  7. Gas mixtures for gas-filled radiation detectors

    DOE Patents [OSTI]

    Christophorou, Loucas G.; McCorkle, Dennis L.; Maxey, David V.; Carter, James G.

    1982-01-05

    Improved binary and ternary gas mixtures for gas-filled radiation detectors are provided. The components are chosen on the basis of the principle that the first component is one molecular gas or mixture of two molecular gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a noble gas having a very small cross section at and below about 1.0 eV, whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electric field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  8. Gas mixtures for gas-filled particle detectors

    DOE Patents [OSTI]

    Christophorou, Loucas G.; McCorkle, Dennis L.; Maxey, David V.; Carter, James G.

    1980-01-01

    Improved binary and tertiary gas mixtures for gas-filled particle detectors are provided. The components are chosen on the basis of the principle that the first component is one gas or mixture of two gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a gas (Ar) having a very small cross section at and below aout 0.5 eV, whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electron field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  9. Improved gas mixtures for gas-filled radiation detectors

    DOE Patents [OSTI]

    Christophorou, L.G.; McCorkle, D.L.; Maxey, D.V.; Carter, J.G.

    1980-03-28

    Improved binary and ternary gas mixtures for gas-filled radiation detectors are provided. The components are chosen on the basis of the principle that the first component is one molecular gas or mixture of two molecular gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a noble gas having a very small cross section at and below about 1.0 eV, whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electric field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  10. Process for the separation of components from gas mixtures

    DOE Patents [OSTI]

    Merriman, J.R.; Pashley, J.H.; Stephenson, M.J.; Dunthorn, D.I.

    1973-10-01

    A process for the removal, from gaseous mixtures of a desired component selected from oxygen, iodine, methyl iodide, and lower oxides of carbon, nitrogen, and sulfur is described. The gaseous mixture is contacted with a liquid fluorocarbon in an absorption zone maintained at superatmospheric pressure to preferentially absorb the desired component in the fluorocarbon. Unabsorbed constituents of the gaseous mixture are withdrawn from the absorption zone. Liquid fluorocarbon enriched in the desired component is withdrawn separately from the zone, following which the desired component is recovered from the fluorocarbon absorbent. (Official Gazette)

  11. Modeling And Measurements Of The Arc Plasma In A Mixture Of Gases

    SciTech Connect (OSTI)

    Pawelec, E.; KsiaPzek, I.

    2006-01-15

    Radial distributions of Ar mass fractions and temperatures in plasmas produced in a wall-stabilized arc have been calculated. Modeling have been performed for many different mixtures of Ar+N2 and three different arc currents. The obtained results show that the radial distributions of Ar mass fractions strongly depend on the chemical composition of the plasma. In plasmas containing large amount of Ar the distributions have local minima at the arc axis (in high temperature plasma regions), whereas in plasmas consisting mainly of nitrogen the distributions reveal maxima on the discharge axis. Those features seem to be connected with the dissociation of the nitrogen.

  12. Mechanism of Phase Formation in the Batch Mixtures for Slag-Bearing Glass Ceramics - 12207

    SciTech Connect (OSTI)

    Stefanovsky, Sergey V.; Stefanovsky, Olga I.; Malinina, Galina A.

    2012-07-01

    Slag surrogate was produced from chemicals by heating to 900 deg. C and keeping at this temperature for 1 hr. The product obtained was intermixed with either sodium di-silicate (75 wt.% waste loading) or borax (85 wt.% slag loading). The mixtures were heat-treated within a temperature range of 25 to 1300 deg. C. The products were examined by X-ray diffraction and infrared spectroscopy. The products prepared at temperatures of up to 1000 deg. C contained both phase typical of the source slag and intermediate phases as well as phases typical of the materials melted at 1350 deg. C such as nepheline, britholite, magnetite and matrix vitreous phase. Vitrification process in batch mixtures consisting of slag surrogate and either sodium di-silicate or sodium tetraborate runs through formation of intermediate phases mainly silico-phosphates capable to incorporate Sm as trivalent actinides surrogate. Reactions in the batch mixtures are in the whole completed by ∼1000 deg. C but higher temperatures are required to homogenize the products. If in the borate-based system the mechanism is close to simple dissolution of slag constituents in the low viscous borate melt, then in the silicate-based system the mechanism was found to be much complicated and includes re-crystallization during melting with segregation of newly-formed nepheline type phase. (authors)

  13. Measuring consistent masses for 25 Milky Way globular clusters

    SciTech Connect (OSTI)

    Kimmig, Brian; Seth, Anil; Ivans, Inese I.; Anderton, Tim; Gregersen, Dylan; Strader, Jay; Caldwell, Nelson

    2015-02-01

    We present central velocity dispersions, masses, mass-to-light ratios (M/Ls ), and rotation strengths for 25 Galactic globular clusters (GCs). We derive radial velocities of 1951 stars in 12 GCs from single order spectra taken with Hectochelle on the MMT telescope. To this sample we add an analysis of available archival data of individual stars. For the full set of data we fit King models to derive consistent dynamical parameters for the clusters. We find good agreement between single-mass King models and the observed radial dispersion profiles. The large, uniform sample of dynamical masses we derive enables us to examine trends of M/L with cluster mass and metallicity. The overall values of M/L and the trends with mass and metallicity are consistent with existing measurements from a large sample of M31 clusters. This includes a clear trend of increasing M/L with cluster mass and lower than expected M/Ls for the metal-rich clusters. We find no clear trend of increasing rotation with increasing cluster metallicity suggested in previous work.

  14. Second-order model selection in mixture experiments

    SciTech Connect (OSTI)

    Redgate, P.E.; Piepel, G.F.; Hrma, P.R.

    1992-07-01

    Full second-order models for q-component mixture experiments contain q(q+l)/2 terms, which increases rapidly as q increases. Fitting full second-order models for larger q may involve problems with ill-conditioning and overfitting. These problems can be remedied by transforming the mixture components and/or fitting reduced forms of the full second-order mixture model. Various component transformation and model reduction approaches are discussed. Data from a 10-component nuclear waste glass study are used to illustrate ill-conditioning and overfitting problems that can be encountered when fitting a full second-order mixture model. Component transformation, model term selection, and model evaluation/validation techniques are discussed and illustrated for the waste glass example.

  15. Detection And Discrimination Of Pure Gases And Binary Mixtures...

    Office of Scientific and Technical Information (OSTI)

    A theoretical data set of resonant damping was generated corresponding to the gas mixtures ... Report Number(s): LLNL-JRNL-415479 TRN: US201013%%438 DOE Contract Number: W-7405-ENG-48 ...

  16. Cubic Phases in Phosphatidylcholine-Cholesterol Mixtures: Cholesterol...

    Office of Scientific and Technical Information (OSTI)

    A saturated, branched-chain PC, diphytanoyl PC, also displayed a cubic phase in mixture with Chol. Unlike the PEs, the membrane PCs are intrinsically nonfusogenic lipids: in excess ...

  17. Calculate Gas Phase Transport Properties of Pure Species and Mixtures

    Energy Science and Technology Software Center (OSTI)

    1997-10-20

    DRFM is a set of routines and data bases used to calculate gas phase transport properties of pure species and mixtures. The program(s) may stand alone or may be used as part of a larger simulation.

  18. Vibrational spectroscopy of liquid mixtures and solid/liquid | Argonne

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Leadership Computing Facility spectroscopy of liquid mixtures and solid/liquid PI Name: Giulia Galli PI Email: gagalli@ucdavis.edu Institution: University of California, Davis Allocation Program: INCITE Allocation Hours at ALCF: 15,000,000 Year: 2011 Research Domain: Materials Science We propose to use first principle molecular dynamics (MD) simulations using semi-local and hybrid functionals to compute vibrational properties of liquid mixtures and liquid/solid interfaces, with the goal of

  19. Recovery of purified helium or hydrogen from gas mixtures

    DOE Patents [OSTI]

    Merriman, J.R.; Pashley, J.H.; Stephenson, M.J.; Dunthorn, D.I.

    1974-01-15

    A process is described for the removal of helium or hydrogen from gaseous mixtures also containing contaminants. The gaseous mixture is contacted with a liquid fluorocarbon in an absorption zone maintained at superatomspheric pressure to preferentially absorb the contaminants in the fluorocarbon. Unabsorbed gas enriched in hydrogen or helium is withdrawn from the absorption zone as product. Liquid fluorocarbon enriched in contaminants is withdrawn separately from the absorption zone. (10 claims)

  20. Methods of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, Lane A.; Ryan, Jack L.

    1998-01-01

    The present invention is a method of obtaining a radionuclide product selected from the group consisting of .sup.223 Ra and .sup.225 Ac, from a radionuclide "cow" of .sup.227 Ac or .sup.229 Th respectively. The method comprises the steps of a) permitting ingrowth of at least one radionuclide daughter from said radionuclide "cow" forming an ingrown mixture; b) insuring that the ingrown mixture is a nitric acid ingrown mixture; c) passing the nitric acid ingrown mixture through a first nitrate form ion exchange column which permits separating the "cow" from at least one radionuclide daughter; d) insuring that the at least one radionuclide daughter contains the radionuclide product; e) passing the at least one radionuclide daughter through a second ion exchange column and separating the at least one radionuclide daughter from the radionuclide product and f) recycling the at least one radionuclide daughter by adding it to the "cow". In one embodiment the radionuclide "cow" is the .sup.227 Ac, the at least one daughter radionuclide is a .sup.227 Th and the product radionuclide is the .sup.223 Ra and the first nitrate form ion exchange column passes the .sup.227 Ac and retains the .sup.227 Th. In another embodiment the radionuclide "cow"is the .sup.229 Th, the at least one daughter radionuclide is a .sup.225 Ra and said product radionuclide is the .sup.225 Ac and the .sup.225 Ac and nitrate form ion exchange column retains the .sup.229 Th and passes the .sup.225 Ra/Ac.

  1. Methods of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, L.A.; Ryan, J.L.

    1998-09-15

    The present invention is a method of obtaining a radionuclide product selected from the group consisting of {sup 223}Ra and {sup 225}Ac, from a radionuclide ``cow`` of {sup 227}Ac or {sup 229}Th respectively. The method comprises the steps of (a) permitting ingrowth of at least one radionuclide daughter from said radionuclide ``cow`` forming an ingrown mixture; (b) insuring that the ingrown mixture is a nitric acid ingrown mixture; (c) passing the nitric acid ingrown mixture through a first nitrate form ion exchange column which permits separating the ``cow`` from at least one radionuclide daughter; (d) insuring that the at least one radionuclide daughter contains the radionuclide product; (e) passing the at least one radionuclide daughter through a second ion exchange column and separating the at least one radionuclide daughter from the radionuclide product and (f) recycling the at least one radionuclide daughter by adding it to the ``cow``. In one embodiment the radionuclide ``cow`` is the {sup 227}Ac, the at least one daughter radionuclide is a {sup 227}Th and the product radionuclide is the {sup 223}Ra and the first nitrate form ion exchange column passes the {sup 227}Ac and retains the {sup 227}Th. In another embodiment the radionuclide ``cow`` is the {sup 229}Th, the at least one daughter radionuclide is a {sup 225}Ra and said product radionuclide is the {sup 225}Ac and the {sup 225}Ac and nitrate form ion exchange column retains the {sup 229}Th and passes the {sup 225}Ra/Ac. 8 figs.

  2. On consistent kinetic and derivative interactions for gravitons

    SciTech Connect (OSTI)

    Noller, Johannes

    2015-04-17

    The only known fully ghost-free and consistent Lorentz-invariant kinetic term for a graviton (or indeed for any spin-2 field) is the Einstein-Hilbert term. Here we propose and investigate a new candidate family of kinetic interactions and their extensions to derivative interactions involving several spin-2 fields. These new terms generically break diffeomorphism invariance(s) and as a result can lead to the propagation of 5 degrees of freedom for a single spin-2 field — analogous to ghost-free Massive Gravity. We discuss under what circumstances these new terms can be used to build healthy effective field theories and in the process establish the ‘Jordan’ and ‘Einstein’ frame pictures for Massive-, Bi- and Multi-Gravity.

  3. Study of lay people's perceptions of appropriate management of gasoline/soil mixtures, hazardous waste mixtures, and trash/garbage mixtures

    SciTech Connect (OSTI)

    Simon, L.E.

    1988-01-01

    The method used was a researcher-developed questionnaire that was given to San Diego residents who were either Naval Reservists or worked at the corporate headquarters of a fast food chain. The respondents were chosen to yield a cross section of lay people. The forced-choice questionnaire asked identical questions about each of the wastes. The sequence in which each waste appeared was varied in order not to imply a ranking. One-way ANOVA and Bonferroni's Method was used to identify any significant differences. On all eight elements, there was a significant difference between each of the wastes at the p < .05 level. Lay people perceive a significant difference in what constitutes appropriate management of the three waste mixtures. Lay people who participated in the study saw Gasoline/Soil Mixtures as requiring management that was significantly more lenient that what they saw as needed for Hazardous Waste Mixtures and significantly more strict than what they saw as needed for Trash/Garbage Mixtures. The establishment of an intermediate category of solid waste between the existing categories of Hazardous Waste and Non-Hazardous Waste was clearly identified as a possibility by the respondents. If such a category were established it would: (1) clarify and resolve existing contradictions between various regulations; (2) reduce unnecessary filling of scarce hazardous waste disposal capacity; (3) reduce uncertainty, delay and expense to businesses trying to comply with the regulations.

  4. Binary and ternary gas mixtures for use in glow discharge closing...

    Office of Scientific and Technical Information (OSTI)

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing ... discharge; closing; switches; highly; efficient; binary; ternary; gas; mixtures; ...

  5. THE PRODUCT CONSISTENCY TEST HOW AND WHY IT WAS DEVELOPED

    SciTech Connect (OSTI)

    Jantzen, C; Ned Bibler, N

    2008-12-15

    The Product Consistency Test (PCT), American Society for Testing Materials (ASTM) Standard C1285, is currently used world wide for testing glass and glass-ceramic waste forms for high level waste (HLW), low level waste (LLW), and hazardous wastes. Development of the PCT was initiated in 1986 because HLW glass waste forms required extensive characterization before actual production began and required continued characterization during production ({ge}25 years). Non-radioactive startup was in 1994 and radioactive startup was in 1996. The PCT underwent extensive development from 1986-1994 and became an ASTM consensus standard in 1994. During the extensive laboratory testing and inter- and intra-laboratory round robins using non-radioactive and radioactive glasses, the PCT was shown to be very reproducible, to yield reliable results rapidly, to distinguish between glasses of different durability and homogeneity, and to easily be performed in shielded cell facilities with radioactive samples. In 1997, the scope was broadened to include hazardous and mixed (radioactive and hazardous) waste glasses. In 2002, the scope was broadened to include glass-ceramic waste forms which are currently being recommended for second generation nuclear wastes yet to be generated in the nuclear renaissance. Since the PCT has proven useful for glass-ceramics with up to 75% ceramic component and has been used to evaluate Pu ceramic waste forms, the use of this test for other ceramic/mineral waste forms such as geopolymers, hydroceramics, and fluidized bed steam reformer mineralized product is under investigation.

  6. IMPROVING CONSISTENCY OF PERFORMANCE ASSESSMENTS IN THE DOE COMPLEX

    SciTech Connect (OSTI)

    Seitz, R; Elmer Wilhite, E

    2009-01-20

    The low-level waste (LLW) performance assessment (PA) process has been traditionally focused on disposal facilities at a few United States Department of Energy (USDOE) sites and commercial disposal facilities. In recent years, there has been a dramatic increase in the scope of the use of PA-like modeling approaches, involving multiple activities, facilities, contractors and regulators. The scope now includes, for example: (1) National Environmental Policy Act (NEPA) assessments, (2) CERCLA disposal cells, (3) Waste Determinations and High-Level Waste (HLW) Closure activities, (4) Potential on-site disposal of Transuranic (TRU) waste, and (5) In-situ decommissioning (including potential use of existing facilities for disposal). The dramatic increase in the variety of activities requiring more detailed modeling has resulted in a similar increase in the potential for inconsistency in approaches both at a site and complexwide scale. This paper includes a summary of USDOE Environmental Management (EM) sponsored initiatives and activities for improved consistency. New initiatives entitled the Performance Assessment Community of Practice and Performance Assessment Assistance Team are also introduced.

  7. ERUPTION OF A SOLAR FILAMENT CONSISTING OF TWO THREADS

    SciTech Connect (OSTI)

    Bi Yi; Jiang Yunchun; Li Haidong; Hong Junchao; Zheng Ruisheng E-mail: jyc@ynao.ac.cn

    2012-10-10

    The trigger and driving mechanism for the eruption of a filament consisting of two dark threads was studied with unprecedented high cadence and resolution of He II 304 A observations made by the Atmospheric Imagining Assembly (AIA) on board the Solar Dynamics Observatory (SDO) and the observations made by the Solar Magnetic Activity Research Telescope and the Extreme Ultraviolet Imager (EUVI) telescope on board the Solar Terrestrial Relations Observatory Ahead (STEREO-A). The filament was located at the periphery of the active region NOAA 11228 and erupted on 2011 June 6. At the onset of the eruption, a turbulent filament thread was found to be heated and to elongate in stride over a second one. After it rose slowly, most interestingly, the elongating thread was driven to contact and interact with the second one, and it then erupted with its southern leg being wrapped by a newly formed thread produced by the magnetic reconnection between fields carried by the two threads. Combining the observations from STEREO-A/EUVI and SDO/AIA 304 A images, the three-dimensional shape of the axis of the filament was obtained and it was found that only the southern leg of the eruptive filament underwent rotation. We suggest that the eruption was triggered by the reconnection of the turbulent filament thread and the surrounding magnetic field, and that it was mainly driven by the kink instability of the southern leg of the eruptive filament that possessed a more twisted field introduced by the reconnection-produced thread.

  8. A consistent approach to falsifying ?CDM with rare galaxy clusters

    SciTech Connect (OSTI)

    Harrison, Ian; Hotchkiss, Shaun E-mail: shaun.hotchkiss@helsinki.fi

    2013-07-01

    We consider methods with which to answer the question ''is any observed galaxy cluster too unusual for ?CDM?'' After emphasising that many previous attempts to answer this question will overestimate the confidence level at which ?CDM can be ruled out, we outline a consistent approach to these rare clusters, which allows the question to be answered. We define three statistical measures, each of which are sensitive to changes in cluster populations arising from different modifications to the cosmological model. We also use these properties to define the ''equivalent mass at redshift zero'' for a cluster the mass of an equally unusual cluster today. This quantity is independent of the observational survey in which the cluster was found, which makes it an ideal proxy for ranking the relative unusualness of clusters detected by different surveys. These methods are then used on a comprehensive sample of observed galaxy clusters and we confirm that all are less than 2? deviations from the ?CDM expectation. Whereas we have only applied our method to galaxy clusters, it is applicable to any isolated, collapsed, halo. As motivation for future surveys, we also calculate where in the mass redshift plane the rarest halo is most likely to be found, giving information as to which objects might be the most fruitful in the search for new physics.

  9. First principles molecular dynamics without self-consistent field optimization

    SciTech Connect (OSTI)

    Souvatzis, Petros; Niklasson, Anders M. N.

    2014-01-28

    We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations.

  10. Single-field consistency relations of large scale structure

    SciTech Connect (OSTI)

    Creminelli, Paolo; Norea, Jorge; Simonovi?, Marko; Vernizzi, Filippo E-mail: jorge.norena@icc.ub.edu E-mail: filippo.vernizzi@cea.fr

    2013-12-01

    We derive consistency relations for the late universe (CDM and ?CDM): relations between an n-point function of the density contrast ? and an (n+1)-point function in the limit in which one of the (n+1) momenta becomes much smaller than the others. These are based on the observation that a long mode, in single-field models of inflation, reduces to a diffeomorphism since its freezing during inflation all the way until the late universe, even when the long mode is inside the horizon (but out of the sound horizon). These results are derived in Newtonian gauge, at first and second order in the small momentum q of the long mode and they are valid non-perturbatively in the short-scale ?. In the non-relativistic limit our results match with [1]. These relations are a consequence of diffeomorphism invariance; they are not satisfied in the presence of extra degrees of freedom during inflation or violation of the Equivalence Principle (extra forces) in the late universe.

  11. Thermodynamic properties of model CdTe/CdSe mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-02-20

    We report on the thermodynamic properties of binary compound mixtures of model groups II–VI semiconductors. We use the recently introduced Stillinger–Weber Hamiltonian to model binary mixtures of CdTe and CdSe. We use molecular dynamics simulations to calculate the volume and enthalpy of mixing as a function of mole fraction. The lattice parameter of the mixture closely follows Vegard's law: a linear relation. This implies that the excess volume is a cubic function of mole fraction. A connection is made with hard sphere models of mixed fcc and zincblende structures. We found that the potential energy exhibits a positive deviation frommore » ideal soluton behaviour; the excess enthalpy is nearly independent of temperatures studied (300 and 533 K) and is well described by a simple cubic function of the mole fraction. Using a regular solution approach (combining non-ideal behaviour for the enthalpy with ideal solution behaviour for the entropy of mixing), we arrive at the Gibbs free energy of the mixture. The Gibbs free energy results indicate that the CdTe and CdSe mixtures exhibit phase separation. The upper consolute temperature is found to be 335 K. Finally, we provide the surface energy as a function of composition. Moreover, it roughly follows ideal solution theory, but with a negative deviation (negative excess surface energy). This indicates that alloying increases the stability, even for nano-particles.« less

  12. Leaching of mixtures of biochar and fly ash

    SciTech Connect (OSTI)

    Palumbo, Anthony V.; Porat, Iris; Phillips, Jana R.; Amonette, James E.; Drake, Meghan M.; Brown, Steven D.; Schadt, Christopher W.

    2009-06-22

    Increasing atmospheric levels of greenhouse gases, especially CO2, and their effects on global temperature have led to interest in the possibility of carbon storage in terrestrial environments. Both the residual char from biomass pyrolysis (biochar) and fly ash from coal combustion have the potential to significantly expand terrestrial sequestration options. Both biochar and fly ash also have potentially beneficial effects on soil properties. Fly ash has been shown to increase porosity, water-holding capacity, pH, conductivity, and dissolved SO42-, CO32-, Cl- and basic cations. Adding biochar to soil generally raises pH, increases total nitrogen and total phosphorous, encourages greater root development, improves cation exchange capacity and decreases available aluminum. A combination of these benefits likely is responsible for observed increases in yields for crops such as corn and sugarcane. In addition, it has been found that soils with added biochar emit lower amounts of other greenhouse gases (methane and nitrous oxide) than do unamended soils. Biochar and fly ash amendments may be useful in promoting terrestrial carbon sequestration on currently underutilized and degraded lands. For example, about 1% of the US surface lands consist of previously mined lands or highway rights-of-way. Poorly managed lands could count for another 15% of US area. Biochar and fly ash amendments could increase productivity of these lands and increase carbon storage in the soil. Previous results showed minimal leaching of organic carbon and metals from a variety of fly ashes. In the present study, we examined the properties of mixtures of biochar, fly ash, and soil and evaluated the leaching of organic carbon and metals from these mixtures. The carbon sorption experiments showed release of carbon from biochar, rather than sorption, except at the highest concentrations in the Biochar HW sample. Similar results were obtained by others for oxidative leaching of bituminous coal, in

  13. Data consistency conditions for truncated fanbeam and parallel projections

    SciTech Connect (OSTI)

    Clackdoyle, Rolf; Desbat, Laurent

    2015-02-15

    Purpose: In image reconstruction from projections, data consistency conditions (DCCs) are mathematical relationships that express the overlap of information between ideal projections. DCCs have been incorporated in image reconstruction procedures for positron emission tomography, single photon emission computed tomography, and x-ray computed tomography (CT). Building on published fanbeam DCCs for nontruncated projections along a line, the authors recently announced new DCCs that can be applied to truncated parallel projections in classical (two-dimensional) image reconstruction. These DCCs take the form of polynomial expressions for a weighted backprojection of the projections. The purpose of this work was to present the new DCCs for truncated parallel projections, to extend these conditions to truncated fanbeam projections on a circular trajectory, to verify the conditions with numerical examples, and to present a model of how DCCs could be applied with a toy problem in patient motion estimation with truncated projections. Methods: A mathematical derivation of the new parallel DCCs was performed by substituting the underlying imaging equation into the mathematical expression for the weighted backprojection and demonstrating the resulting polynomial form. This DCC result was extended to fanbeam projections by a substitution of parallel to fanbeam variables. Ideal fanbeam projections of a simple mathematical phantom were simulated and the DCCs for these projections were evaluated by fitting polynomials to the weighted backprojection. For the motion estimation problem, a parametrized motion was simulated using a dynamic version of the mathematical phantom, and both noiseless and noisy fanbeam projections were simulated for a full circular trajectory. The fanbeam DCCs were applied to extract the motion parameters, which allowed the motion contamination to be removed from the projections. A reconstruction was performed from the corrected projections. Results: The

  14. Chemical kinetic modeling of component mixtures relevant to gasoline

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K

    2009-02-13

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  15. Thermodynamic properties and diffusion of water + methane binary mixtures

    SciTech Connect (OSTI)

    Shvab, I.; Sadus, Richard J.

    2014-03-14

    Thermodynamic and diffusion properties of water + methane mixtures in a single liquid phase are studied using NVT molecular dynamics. An extensive comparison is reported for the thermal pressure coefficient, compressibilities, expansion coefficients, heat capacities, Joule-Thomson coefficient, zero frequency speed of sound, and diffusion coefficient at methane concentrations up to 15% in the temperature range of 298650 K. The simulations reveal a complex concentration dependence of the thermodynamic properties of water + methane mixtures. The compressibilities, heat capacities, and diffusion coefficients decrease with increasing methane concentration, whereas values of the thermal expansion coefficients and speed of sound increase. Increasing methane concentration considerably retards the self-diffusion of both water and methane in the mixture. These effects are caused by changes in hydrogen bond network, solvation shell structure, and dynamics of water molecules induced by the solvation of methane at constant volume conditions.

  16. Inferential determination of various properties of a gas mixture

    DOE Patents [OSTI]

    Morrow, Thomas B.; Behring, II, Kendricks A.

    2007-03-27

    Methods for inferentially determining various properties of a gas mixture, when the speed of sound in the gas is known at an arbitrary temperature and pressure. The method can be applied to natural gas mixtures, where the known parameters are the sound speed, temperature, pressure, and concentrations of any dilute components of the gas. The method uses a set of reference gases and their calculated density and speed of sound values to estimate the density of the subject gas. Additional calculations can be made to estimate the molecular weight of the subject gas, which can then be used as the basis for heating value calculations. The method may also be applied to inferentially determine density and molecular weight for gas mixtures other than natural gases.

  17. Sterilization of fermentation vessels by ethanol/water mixtures

    DOE Patents [OSTI]

    Wyman, C.E.

    1999-02-09

    A method is described for sterilizing process fermentation vessels with a concentrated alcohol and water mixture integrated in a fuel alcohol or other alcohol production facility. Hot, concentrated alcohol is drawn from a distillation or other purification stage and sprayed into the empty fermentation vessels. This sterilizing alcohol/water mixture should be of a sufficient concentration, preferably higher than 12% alcohol by volume, to be toxic to undesirable microorganisms. Following sterilization, this sterilizing alcohol/water mixture can be recovered back into the same distillation or other purification stage from which it was withdrawn. The process of this invention has its best application in, but is not limited to, batch fermentation processes, wherein the fermentation vessels must be emptied, cleaned, and sterilized following completion of each batch fermentation process. 2 figs.

  18. Sterilization of fermentation vessels by ethanol/water mixtures

    DOE Patents [OSTI]

    Wyman, Charles E.

    1999-02-09

    A method for sterilizing process fermentation vessels with a concentrated alcohol and water mixture integrated in a fuel alcohol or other alcohol production facility. Hot, concentrated alcohol is drawn from a distillation or other purification stage and sprayed into the empty fermentation vessels. This sterilizing alcohol/water mixture should be of a sufficient concentration, preferably higher than 12% alcohol by volume, to be toxic to undesirable microorganisms. Following sterilization, this sterilizing alcohol/water mixture can be recovered back into the same distillation or other purification stage from which it was withdrawn. The process of this invention has its best application in, but is not limited to, batch fermentation processes, wherein the fermentation vessels must be emptied, cleaned, and sterilized following completion of each batch fermentation process.

  19. Determining the Porosity and Saturated Hydraulic Conductivity of Binary Mixtures

    SciTech Connect (OSTI)

    Zhang, Z. F.; Ward, Anderson L.; Keller, Jason M.

    2009-09-27

    Gravels and coarse sands make up significant portions of some environmentally important sediments, while the hydraulic properties of the sediments are typically obtained in the laboratory using only the fine fraction (e.g., <2 mm or 4.75 mm). Researchers have found that the content of gravel has significant impacts on the hydraulic properties of the bulk soils. Laboratory experiments were conducted to measure the porosity and the saturated hydraulic conductivity of binary mixtures with different fractions of coarse and fine components. We proposed a mixing-coefficient model to estimate the porosity and a power-averaging method to determine the effective particle diameter and further to predict the saturated hydraulic conductivity of binary mixtures. The proposed methods could well estimate the porosity and saturated hydraulic conductivity of the binary mixtures for the full range of gravel contents and was successfully applied to two data sets in the literature.

  20. Chemical kinetic modeling of component mixtures relevant to gasoline

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Dooley, S; Westbrook, C K

    2008-05-29

    Detailed kinetic models of pyrolysis and combustion of hydrocarbon fuels are nowadays widely used in the design of internal combustion engines and these models are effectively applied to help meet the increasingly stringent environmental and energetic standards. In previous studies by the combustion community, such models not only contributed to the understanding of pure component combustion, but also provided a deeper insight into the combustion behavior of complex mixtures. One of the major challenges in this field is now the definition and the development of appropriate surrogate models able to mimic the actual features of real fuels. Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. Their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. Aside the most commonly used surrogates containing iso-octane and n-heptane only, the so called Primary Reference Fuels (PRF), new mixtures have recently been suggested to extend the reference components in surrogate mixtures to also include alkenes and aromatics. It is generally agreed that, including representative species for all the main classes of hydrocarbons which can be found in real fuels, it is possible to reproduce very effectively in a wide range of operating conditions not just the auto-ignition propensity of gasoline or Diesel fuels, but also their physical properties and their combustion residuals [1]. In this work, the combustion behavior of several components relevant to gasoline surrogate formulation is computationally examined. The attention is focused on the autoignition of iso-octane, hexene and their mixtures. Some important issues relevant to the experimental and modeling investigation of such fuels are discussed with the help of rapid compression machine data and calculations. Following the model validation, the behavior of mixtures is discussed on the

  1. Mixtures of Strongly Interacting Bosons in Optical Lattices

    SciTech Connect (OSTI)

    Buonsante, P.; Penna, V.; Giampaolo, S. M.; Illuminati, F.; Vezzani, A.

    2008-06-20

    We investigate the properties of strongly interacting heteronuclear boson-boson mixtures loaded in realistic optical lattices, with particular emphasis on the physics of interfaces. In particular, we numerically reproduce the recent experimental observation that the addition of a small fraction of {sup 41}K induces a significant loss of coherence in {sup 87}Rb, providing a simple explanation. We then investigate the robustness against the inhomogeneity typical of realistic experimental realizations of the glassy quantum emulsions recently predicted to occur in strongly interacting boson-boson mixtures on ideal homogeneous lattices.

  2. Binary and ternary gas mixtures for use in glow discharge closing switches

    DOE Patents [OSTI]

    Hunter, Scott R.; Christophorou, Loucas G.

    1990-01-01

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue of the combined physio-electric properties of the mixture components.

  3. Methods for deacidizing gaseous mixtures by phase enhanced absorption

    DOE Patents [OSTI]

    Hu, Liang

    2012-11-27

    An improved process for deacidizing a gaseous mixture using phase enhanced gas-liquid absorption is described. The process utilizes a multiphasic absorbent that absorbs an acid gas at increased rate and leads to reduced overall energy costs for the deacidizing operation.

  4. Gettering of Hydrogen and Methane from a Helium Gas Mixture

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Cardenas, Rosa E.; Stewart, Kenneth D.; Cowgill, Donald F.

    2014-10-21

    In our study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H2 and CH4 can be removed simultaneously from the mixture using two SAES St 172® getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. Moreover, the optimum combination involved operating one getter at 650°C to decompose the methane, and the second at 110°C to remove the hydrogen. Finally, this approach eliminatedmore » the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.« less

  5. Gettering of Hydrogen and Methane from a Helium Gas Mixture

    SciTech Connect (OSTI)

    Cardenas, Rosa E.; Stewart, Kenneth D.; Cowgill, Donald F.

    2014-10-21

    In our study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H2 and CH4 can be removed simultaneously from the mixture using two SAES St 172® getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. Moreover, the optimum combination involved operating one getter at 650°C to decompose the methane, and the second at 110°C to remove the hydrogen. Finally, this approach eliminated the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.

  6. Gettering of hydrogen and methane from a helium gas mixture

    SciTech Connect (OSTI)

    Crdenas, Rosa Elia; Stewart, Kenneth D.; Cowgill, Donald F.

    2014-11-01

    In this study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H{sub 2} and CH{sub 4} can be removed simultaneously from the mixture using two SAES St 172{sup } getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. The optimum combination involved operating one getter at 650?C to decompose the methane, and the second at 110?C to remove the hydrogen. This approach eliminated the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.

  7. CO2-based mixtures as working fluids for geothermal turbines.

    SciTech Connect (OSTI)

    Wright, Steven Alan; Conboy, Thomas M.; Ames, David E.

    2012-01-01

    Sandia National Laboratories is investigating advanced Brayton cycles using supercritical working fluids for application to a variety of heat sources, including geothermal, solar, fossil, and nuclear power. This work is centered on the supercritical CO{sub 2} (S-CO{sub 2}) power conversion cycle, which has the potential for high efficiency in the temperature range of interest for these heat sources and is very compact-a feature likely to reduce capital costs. One promising approach is the use of CO{sub 2}-based supercritical fluid mixtures. The introduction of additives to CO{sub 2} alters the equation of state and the critical point of the resultant mixture. A series of tests was carried out using Sandia's supercritical fluid compression loop that confirmed the ability of different additives to increase or lower the critical point of CO{sub 2}. Testing also demonstrated that, above the modified critical point, these mixtures can be compressed in a turbocompressor as a single-phase homogenous mixture. Comparisons of experimental data to the National Institute of Standards and Technology (NIST) Reference Fluid Thermodynamic and Transport Properties (REFPROP) Standard Reference Database predictions varied depending on the fluid. Although the pressure, density, and temperature (p, {rho}, T) data for all tested fluids matched fairly well to REFPROP in most regions, the critical temperature was often inaccurate. In these cases, outside literature was found to provide further insight and to qualitatively confirm the validity of experimental findings for the present investigation.

  8. Proteomics based compositional analysis of complex cellulase-hemicellulase mixtures

    SciTech Connect (OSTI)

    Chundawat, Shishir P.; Lipton, Mary S.; Purvine, Samuel O.; Uppugundla, Nirmal; Gao, Dahai; Balan, Venkatesh; Dale, Bruce E.

    2011-10-07

    Efficient deconstruction of cellulosic biomass to fermentable sugars for fuel and chemical production is accomplished by a complex mixture of cellulases, hemicellulases and accessory enzymes (e.g., >50 extracellular proteins). Cellulolytic enzyme mixtures, produced industrially mostly using fungi like Trichoderma reesei, are poorly characterized in terms of their protein composition and its correlation to hydrolytic activity on cellulosic biomass. The secretomes of commercial glycosyl hydrolase producing microbes was explored using a proteomics approach with high-throughput quantification using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Here, we show that proteomics based spectral counting approach is a reasonably accurate and rapid analytical technique that can be used to determine protein composition of complex glycosyl hydrolase mixtures that also correlates with the specific activity of individual enzymes present within the mixture. For example, a strong linear correlation was seen between Avicelase activity and total cellobiohydrolase content. Reliable, quantitative and cheaper analytical methods that provide insight into the cellulosic biomass degrading fungal and bacterial secretomes would lead to further improvements towards commercialization of plant biomass derived fuels and chemicals.

  9. Method of treating alkali metal sulfide and carbonate mixtures

    DOE Patents [OSTI]

    Kohl, Arthur L.; Rennick, Robert D.; Savinsky, Martin W.

    1978-01-01

    A method of removing and preferably recovering sulfur values from an alkali metal sulfide and carbonate mixture comprising the steps of (1) introducing the mixture in an aqueous medium into a first carbonation zone and reacting the mixture with a gas containing a major amount of CO.sub.2 and a minor amount of H.sub.2 S; (2) introducing the resultant product from step 1 into a stripping zone maintained at subatmospheric pressure, and contacting this product with steam to produce a gaseous mixture, comprising H.sub.2 S and water vapor, and a liquor of reduced sulfide content; (3) introducing the liquor of reduced sulfide content into a second carbonation zone, and reacting the liquor with substantially pure gaseous CO.sub.2 in an amount sufficient to precipitate bicarbonate crystals and produce an offgas containing CO.sub.2 and H.sub.2 S for use in step 1; (4) recovering the bicarbonate crystals from step 3, and thermally decomposing the crystals to produce an alkaline metal carbonate product and a substantially pure CO.sub.2 offgas for use in step 3.

  10. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOE Patents [OSTI]

    Miller, Robert N.

    1986-01-01

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300.degree. C. before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil.

  11. Electron drift velocities in He and water mixtures: Measurements and an assessment of the water vapour cross-section sets

    SciTech Connect (OSTI)

    Urquijo, J. de; Juárez, A. M.; Basurto, E.; Ness, K. F.; Robson, R. E.; White, R. D.; Brunger, M. J.

    2014-07-07

    The drift velocity of electrons in mixtures of gaseous water and helium is measured over the range of reduced electric fields 0.1–300 Td using a pulsed-Townsend technique. Admixtures of 1% and 2% water to helium are found to produce negative differential conductivity (NDC), despite NDC being absent from the pure gases. The measured drift velocities are used as a further discriminative assessment on the accuracy and completeness of a recently proposed set of electron-water vapour cross-sections [K. F. Ness, R. E. Robson, M. J. Brunger, and R. D. White, J. Chem. Phys. 136, 024318 (2012)]. A refinement of the momentum transfer cross-section for electron-water vapour scattering is presented, which ensures self-consistency with the measured drift velocities in mixtures with helium to within approximately 5% over the range of reduced fields considered.

  12. Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures

    SciTech Connect (OSTI)

    Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.

    2014-10-01

    In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to a constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.

  13. Integrated theoretical and experimental study of the thermophysical properties of fluid mixtures: Annual report

    SciTech Connect (OSTI)

    Haynes, W.M.

    1986-09-01

    The objectives of this research are to assist the fuel and chemical process industries to improve efficiency and thereby reduce the use of energy and feedstocks and to aid them in the utilization of unconventional feedstocks and energy sources. The objectives are satisfied through the following research efforts: (1) development of predictive procedures for the thermophysical properties of fluids and fluid mixtures; (2) basic understanding of fluid behavior with advances in theory; and (3) acquisition of experimental data to support the theoretical and modeling efforts. The following are what we feel are the most significant results of our recent research: accurate, wide-range, and self-consistent PVT and phase equilibria data are essential to the development of theoretically based predictive models for the behavior and properties of fluid mixtures. We have developed experimental techniques to screen and characterize such systems, as well as techniques for analyzing and reporting data for them. We have made significant studies in experimentally and theoretically determining the sensitivity of theoretical models to the effects of hydrogen bonding. We have learned that non-Newtonian behavior is universal and that common assumptions of fluid behavior must be treated with caution. Most importantly, we have learned that the effect of shear on fluid behavior and properties cannot be ignored. 11 refs., 7 figs., 1 tab.

  14. Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.

    2014-10-01

    In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to amore » constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.« less

  15. Ionic liquids for separation of olefin-paraffin mixtures

    DOE Patents [OSTI]

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2014-07-15

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  16. Ionic liquids for separation of olefin-paraffin mixtures

    DOE Patents [OSTI]

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2013-09-17

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  17. Low velocity ion stopping in binary ionic mixtures

    SciTech Connect (OSTI)

    Tashev, Bekbolat; Baimbetov, Fazylkhan; Deutsch, Claude; Fromy, Patrice

    2008-10-15

    Attention is focused on the low ion velocity stopping mechanisms in multicomponent and dense target plasmas built of quasiclassical electron fluids neutralizing binary ionic mixtures, such as, deuterium-tritium of current fusion interest, proton-heliumlike iron in the solar interior or proton-helium ions considered in planetology, as well as other mixtures of fiducial concern in the heavy ion beam production of warm dense matter at Bragg peak conditions. The target plasma is taken in a multicomponent dielectric formulation a la Fried-Conte. The occurrence of projectile ion velocities (so-called critical) for which target electron slowing down equals that of given target ion components is also considered. The corresponding multiquadrature computations, albeit rather heavy, can be monitored analytical through a very compact code operating a PC cluster. Slowing down results are systematically scanned with respect to target temperature and electron density, as well as ion composition.

  18. ELECTROCHEMICAL SEPARATION AND CONCENTRATION OF HYDROGEN SULFIDE FROM GAS MIXTURES

    DOE Patents [OSTI]

    Winnick, Jack; Sather, Norman F.; Huang, Hann S.

    1984-10-30

    A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4 -- or, in the case of H.sub.2 S, to S--. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

  19. Electrochemical separation and concentration of hydrogen sulfide from gas mixtures

    DOE Patents [OSTI]

    Winnick, Jack; Sather, Norman F.; Huang, Hann S.

    1984-10-30

    A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4 -- or, in the case of H.sub.2 S, to S--. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

  20. Perfluoroolefin and perfluoroparaffin mixture and process for making same

    SciTech Connect (OSTI)

    Dietrich, P.; Engler, G.; Ferse, A.; Grimm, H.; Gross, U.; Handte, D.; Lunkwitz, K.; Muller, U.; Prescher, D.; Schulze, J.

    1980-09-30

    Straight chain perfluoroolefins compounds of medium length with terminal or double bonds and a minor proportion of trifluoromethyl side chains or mixtures of such perfluoroolefins with perfluoro paraffins of equal chain length and corresponding structure, the perfluoroolefins being present in the mixture in an amount of 40 to 70% are prepared. The compounds are valuable as highly reactive intermediate products in the production of surface active agents. The compounds are made by subjecting a highly fluorinated organic compound to degradation by means of a high energy radiation of a density of 0.3 to 3.0 w/cm2 effected in a radiation chamber which has been subjected to a preceding rinsing with an inert gas or with a monomeric highly fluorinated organic compound.

  1. Thermoacoustic mixture separation with an axial temperature gradient

    SciTech Connect (OSTI)

    Geller, Drew W; Swift, Gregory A

    2008-01-01

    The theory of thermoacoustic mixture separation is extended to include the effect of a nonzero axial temperature gradient. The analysis yields a new term in the second-order mole flux that is proportional to the temperature gradient and to the square of the volumetric velocity and is independent of the phasing of the wave. Because of this new term, thermoacoustic separation stops at a critical temperature gradient and changes direction above that gradient. For a traveling wave, this gradient is somewhat higher than that predicted by a simple four-step model. An experiment tests the theory for temperature gradients from 0 to 416 K/m in 50-50 He-Ar mixtures.

  2. Vibrational spectroscopy of liquid mixtures and solid/liquid interfaces |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Argonne Leadership Computing Facility Molecular orbital representation of the electronic states in the first solvation shell in water. The inset shows different contributions (total, inter- and intra-molecular) to the IR stretching band of liquid water. Vibrational spectroscopy of liquid mixtures and solid/liquid interfaces PI Name: Giulia Galli PI Email: gagalli@ucdavis.edu Institution: University of California, Davis Allocation Program: INCITE Allocation Hours at ALCF: 1 Million Year: 2010

  3. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOE Patents [OSTI]

    Miller, R.N.

    1986-10-14

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300 C before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil. 1 fig.

  4. Investigation of plasma-dust structures in He-Ar gas mixture

    SciTech Connect (OSTI)

    Maiorov, S. A.; Ramazanov, T. S.; Dzhumagulova, K. N.; Jumabekov, A. N.; Dosbolayev, M. K.

    2008-09-15

    The paper reports on the first experiments with plasma-dust formations in dc gas discharge plasma for a He-Ar mixture. It is shown that the choice of light and heavy gases for the mixture suppresses ion heating in electric field under the conventional conditions of experiments and results in a supersonic jet with high Mach numbers. Distribution functions for drifting ions in the gas mixture are calculated for various mixture concentrations, electric field strengths, and gas pressures.

  5. Power mixture and green body for producing silicon nitride base articles of high fracture toughness and strength

    DOE Patents [OSTI]

    Huckabee, M.L.; Buljan, S.T.; Neil, J.T.

    1991-09-17

    A powder mixture and a green body for producing a silicon nitride-based article of improved fracture toughness and strength are disclosed. The powder mixture includes (a) a bimodal silicon nitride powder blend consisting essentially of about 10-30% by weight of a first silicon nitride powder of an average particle size of about 0.2 [mu]m and a surface area of about 8-12m[sup 2]g, and about 70-90% by weight of a second silicon nitride powder of an average particle size of about 0.4-0.6 [mu]m and a surface area of about 2-4 m[sup 2]/g, (b) about 10-50 percent by volume, based on the volume of the densified article, of refractory whiskers or fibers having an aspect ratio of about 3-150 and having an equivalent diameter selected to produce in the densified article an equivalent diameter ratio of the whiskers or fibers to grains of silicon nitride of greater than 1.0, and (c) an effective amount of a suitable oxide densification aid. The green body is formed from the powder mixture, an effective amount of a suitable oxide densification aid, and an effective amount of a suitable organic binder. No Drawings

  6. Power mixture and green body for producing silicon nitride base & articles of high fracture toughness and strength

    DOE Patents [OSTI]

    Huckabee, Marvin L.; Buljan, Sergej-Tomislav; Neil, Jeffrey T.

    1991-01-01

    A powder mixture and a green body for producing a silicon nitride-based article of improved fracture toughness and strength. The powder mixture includes 9a) a bimodal silicon nitride powder blend consisting essentially of about 10-30% by weight of a first silicon mitride powder of an average particle size of about 0.2 .mu.m and a surface area of about 8-12m.sup.2 g, and about 70-90% by weight of a second silicon nitride powder of an average particle size of about 0.4-0.6 .mu.m and a surface area of about 2-4 m.sup.2 /g, (b) about 10-50 percent by volume, based on the volume of the densified article, of refractory whiskers or fibers having an aspect ratio of about 3-150 and having an equivalent diameter selected to produce in the densified articel an equivalent diameter ratio of the whiskers or fibers to grains of silicon nitride of greater than 1.0, and (c) an effective amount of a suitable oxide densification aid. The green body is formed from the powder mixture, an effective amount of a suitable oxide densification aid, and an effective amount of a suitable organic binder.

  7. Sodium nitrate containing mixture for producing ceramic-glass-ceramic seal by microwave heating

    DOE Patents [OSTI]

    Blake, R.D.; Meek, T.T.

    1984-10-10

    A mixture for, and method of using such a mixture, for producing a ceramic-glass-ceramic seal by the use of microwave energy are disclosed, wherein the mixture comprises a glass sealing material, a coupling agent, and an oxidizer. The seal produced exhibits greater strength due to its different microstructure. Sodium nitrate is the most preferred oxidizer.

  8. Currently used pesticides and their mixtures affect the function of sex hormone receptors and aromatase enzyme activity

    SciTech Connect (OSTI)

    Kjeldsen, Lisbeth Stigaard; Ghisari, Mandana; Bonefeld-Jørgensen, Eva Cecilie

    2013-10-15

    The endocrine-disrupting potential of pesticides is of health concern, since they are found ubiquitously in the environment and in food items. We investigated in vitro effects on estrogen receptor (ER) and androgen receptor (AR) transactivity, and aromatase enzyme activity, of the following pesticides: 2-methyl-4-chlorophenoxyacetic acid (MCPA), terbuthylazine, iodosulfuron-methyl-sodium, mesosulfuron-methyl, metsulfuron-methyl, chlormequat chloride, bitertanol, propiconazole, prothioconazole, mancozeb, cypermethrin, tau fluvalinate, malathion and the metabolite ethylene thiourea (ETU). The pesticides were analyzed alone and in selected mixtures. Effects of the pesticides on ER and AR function were assessed in human breast carcinoma MVLN cells and hamster ovary CHO-K1 cells, respectively, using luciferase reporter gene assays. Effects on aromatase enzyme activity were analyzed in human choriocarcinoma JEG-3 cells, employing the classical [{sup 3}H]{sub 2}O method. Five pesticides (terbuthylazine, propiconazole, prothioconazole, cypermethrin and malathion) weakly induced the ER transactivity, and three pesticides (bitertanol, propiconazole and mancozeb) antagonized the AR activity in a concentration-dependent manner. Three pesticides (terbuthylazine, propiconazole and prothioconazole) weakly induced the aromatase activity. In addition, two mixtures, consisting of three pesticides (bitertanol, propiconazole, cypermethrin) and five pesticides (terbuthylazine, bitertanol, propiconazole, cypermethrin, malathion), respectively, induced the ER transactivity and aromatase activity, and additively antagonized the AR transactivity. In conclusion, our data suggest that currently used pesticides possess endocrine-disrupting potential in vitro which can be mediated via ER, AR and aromatase activities. The observed mixture effects emphasize the importance of considering the combined action of pesticides in order to assure proper estimations of related health effect risks

  9. Fluidizing a mixture of particulate coal and char

    DOE Patents [OSTI]

    Green, Norman W.

    1979-08-07

    Method of mixing particulate materials comprising contacting a primary source and a secondary source thereof whereby resulting mixture ensues; preferably at least one of the two sources has enough motion to insure good mixing and the particulate materials may be heat treated if desired. Apparatus for such mixing comprising an inlet for a primary source, a reactor communicating therewith, a feeding means for supplying a secondary source to the reactor, and an inlet for the secondary source. Feeding means is preferably adapted to supply fluidized materials.

  10. Prediction of New Hydrogen Storage Compounds and Mixtures

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    8, 2006 DOE Theory Focus Session on Hydrogen Storage Materials Prediction of New Hydrogen Storage Compounds and Mixtures Vidvuds Ozoliņš UCLA Research supported by DOE grants No. DE-FG02-05ER46253 and DE-FC36-04GO14013 May 18, 2006 DOE Theory Focus Session on Hydrogen Storage Materials DOE BES: Theory and Modeling of Materials for Hydrogen Storage PIs: Gerbrand Ceder (MIT), Nicola Marzari (MIT), Vidvuds Ozoliņš (UCLA) Discovery of Novel Complex Metal Hydrides for Hydrogen Storage Through

  11. Method for removing organic liquids from aqueous solutions and mixtures

    DOE Patents [OSTI]

    Hrubesh, Lawrence W.; Coronado, Paul R.; Dow, Jerome P.

    2004-03-23

    A method for removing organic liquids from aqueous solutions and mixtures. The method employs any porous material preferably in granular form and having small pores and a large specific surface area, that is hydrophobic so that liquid water does not readily wet its surface. In this method, organics, especially organic solvents that mix with and are more volatile than water, are separated from aqueous solution by preferentially evaporating across the liquid/solid boundary formed at the surfaces of the hydrophobic porous materials. Also, organic solvents that are immiscible with water, preferentially wet the surfaces of the hydrophobic material and are drawn within the porous materials by capillary action.

  12. Binary and ternary gas mixtures for use in glow discharge closing switches

    DOE Patents [OSTI]

    Hunter, S.R.; Christophorou, L.G.

    1988-04-27

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue if the combines physio-electric properties of the mixture components. 9 figs.

  13. Heterojunctions of model CdTe/CdSe mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II-VI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1° deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization tomore » find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.« less

  14. Heterojunctions of model CdTe/CdSe mixtures

    SciTech Connect (OSTI)

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II-VI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1° deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization to find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.

  15. Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Koziol, Lucas; Goldman, Nir

    2015-04-21

    We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extendedmore » structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Lastly, our results help provide a bottom-up understanding of hydrocarbon impact synthesis on the early Earth and its role in producing life-building molecules from simple starting materials.« less

  16. Heterojunctions of model CdTe/CdSe mixtures

    SciTech Connect (OSTI)

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group IIVI semiconductors. We use the StillingerWeber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group IIVI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1 deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization to find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.

  17. Coal-oil-mixture technology: a status report

    SciTech Connect (OSTI)

    Lecky, J.A.

    1980-10-01

    Papers and discussions presented at the Second International Symposium on Coal-Oil-Mixture Combustion (November 27 to 29, 1979) are reviewed to assess the state of technology in this field. Environmental problems receive little attention; most appear soluble by current methods used to control emissions from coal burning. Economic studies indicate that converting oil-burning plants to COM burning would be profitable, even with retrofit costs. Experience with coal-oil mixtures (COM) has been encouraging in bench-scale tests, small boilers, and short-term plant tests, but extended, large-scale tests are needed prior to commercialization of COM. Major problems needing more investigation or plant experience are: lack of a definition of COM stability and a quick way to measure it; uncertainties as to COM structure and the mechanisms of how additives promote stability; heterogeneity of coals and oils; inadequate experience in COM storage and transportation; uncertainty about long-term effects of corrosion and erosion of components by COM, and existence of other possible operating problems. The US Department of Energy announced an expanded program for COM demonstration plants, and industrial firms are selling COM and offering to build plants to prepare it.

  18. Strongly coupled ionic mixtures and the H/He EOS

    SciTech Connect (OSTI)

    DeWitt, H.E.

    1993-12-02

    This paper summarizes recent work on the strongly coupled OCP and Binary Ionic Mixture equation of state and other thermodynamic quantities in white dwarf interior conditions for both fluid and solid phases with the assumption of a uniform background. Conditions for phase separation of different elements in fluid or solid phases is strongly dependent on deviations from the linear mixing rule which gives the equation of state as an additive function of the OCP equation of state. These deviations turn out to be small (a few parts in 10{sup 5}) and always positive including the case where the fraction of the higher Z component approaches 0. Also the equation of state of strongly coupled light elements (H and He particularly) obtained from simulations with a linear response description of the electrons is given for conditions appropriate to brown dwarf star interiors. Recent Livermore work on a band structure calculation of the enthalpy of H and He mixtures under jovian conditions is discussed. This work leads to a prediction of a high temperature (15,000 K) for miscibility of He in ionized H at 10 Mb.

  19. All-electron self-consistent G W in the Matsubara-time domain...

    Office of Scientific and Technical Information (OSTI)

    All-electron self-consistent G W in the Matsubara-time domain: Implementation and ... Title: All-electron self-consistent G W in the Matsubara-time domain: Implementation ...

  20. Apparatus and method for burning a lean, premixed fuel/air mixture with low NOx emission

    DOE Patents [OSTI]

    Kostiuk, Larry W.; Cheng, Robert K.

    1996-01-01

    An apparatus for enabling a burner to stably burn a lean fuel/air mixture. The burner directs the lean fuel/air mixture in a stream. The apparatus comprises an annular flame stabilizer; and a device for mounting the flame stabilizer in the fuel/air mixture stream. The burner may include a body having an internal bore, in which case, the annular flame stabilizer is shaped to conform to the cross-sectional shape of the bore, is spaced from the bore by a distance greater than about 0.5 mm, and the mounting device mounts the flame stabilizer in the bore. An apparatus for burning a gaseous fuel with low NOx emissions comprises a device for premixing air with the fuel to provide a lean fuel/air mixture; a nozzle having an internal bore through which the lean fuel/air mixture passes in a stream; and a flame stabilizer mounted in the stream of the lean fuel/air mixture. The flame stabilizer may be mounted in the internal bore, in which case, it is shaped and is spaced from the bore as just described. In a method of burning a lean fuel/air mixture, a lean fuel/air mixture is provided, and is directed in a stream; an annular eddy is created in the stream of the lean fuel/air mixture; and the lean fuel/air mixture is ignited at the eddy.

  1. Turbulent burning rates of methane and methane-hydrogen mixtures

    SciTech Connect (OSTI)

    Fairweather, M. [School of Process, Environmental and Materials Engineering, University of Leeds, Leeds LS2 9JT (United Kingdom); Ormsby, M.P.; Sheppard, C.G.W. [School of Mechanical Engineering, University of Leeds, Leeds LS2 9JT (United Kingdom); Woolley, R. [Department of Mechanical Engineering, University of Sheffield, Sheffield S1 3JD (United Kingdom)

    2009-04-15

    Methane and methane-hydrogen (10%, 20% and 50% hydrogen by volume) mixtures have been ignited in a fan stirred bomb in turbulence and filmed using high speed cine schlieren imaging. Measurements were performed at 0.1 MPa (absolute) and 360 K. A turbulent burning velocity was determined for a range of turbulence velocities and equivalence ratios. Experimental laminar burning velocities and Markstein numbers were also derived. For all fuels the turbulent burning velocity increased with turbulence velocity. The addition of hydrogen generally resulted in increased turbulent and laminar burning velocity and decreased Markstein number. Those flames that were less sensitive to stretch (lower Markstein number) burned faster under turbulent conditions, especially as the turbulence levels were increased, compared to stretch-sensitive (high Markstein number) flames. (author)

  2. Thermophysical property measurements in fluid mixtures, Annual report

    SciTech Connect (OSTI)

    Olien, N.A.; Levelt Sengers, J.M.H.

    1986-09-01

    The objective of this program is the development of experimental methods for the measurement of equilibrium and transport properties of complex, multiphase fluids and fluid mixtures. The properties involved in the apparatus development are: PVT (pressure-volume-temperature), PVTx (pressure-volume-temperature-composition), phase equilibria (liquid-vapor and liquid-liquid equilibria), phase behavior at interfaces, and transport properties (viscosity, thermal conductivity, and diffusion coefficient). The apparatus are designed, where practical, for use in highly corrosive, toxic, and flammable fluids. The design goals for temperature and pressure are 800 K and 30 MPa (in some cases 70 MPa). It is not possible to meet these goals in all cases because of material requirements and limitations; for example, the need for visual cells for phase equilibria, the use of piezoelectric crystals for viscometry, and the temperature limitations of some pressure transducers. 8 refs.

  3. Salado mass concrete: Mixture development and preliminary characterization

    SciTech Connect (OSTI)

    Wakeley, L.D.; Ernzen, J.J.; Neeley, B.D.; Hansen, F.D.

    1994-06-01

    A salt-saturated concrete proportioned with Class H oilwell cement, Class F fly ash, and a shrinkage compensating component was developed to meet performance requirements for mass placement as seal components at the Waste Isolation Pilot Plant. Target properties of the concrete included 8-in. slump 3 hr after mixing, no aggregate segregation, heat rise of < 25{degrees}F 4 hr after mixing, compressive strength of 4,500 psi at 180 days, minimal volume change, and probable geochemical stability for repository conditions. Thermal and mechanical properties of promising candidate concrete mixtures were measured. Modulus of elasticity and creep behavior were similar to those of ordinary portland cement mass concretes. Thermal expansion for the salt-saturated concrete developed here was typical of ordinary concrete with similar silicate aggregates. Thermal conductivity, diffusivity, and specific heat approximated values measured for other mass concretes and were similar to values of the host salt rock.

  4. Electrosorption selectivity of ions from mixtures of electrolytes inside nanopores

    SciTech Connect (OSTI)

    Hou, Chia-Hung; Taboada Serrano, Patricia L; Yiacoumi, Sotira; Tsouris, Costas

    2008-01-01

    Grand canonical Monte Carlo (GCMC) simulations are employed to study the selective electrosorption of ions from a mixture of symmetric and asymmetric electrolytes confined in pores and results are compared to experimental observations obtained via cyclic voltammetry and batch electrosorption equilibrium experiments. GCMC simulations have the advantage over other Monte Carlo methods to unambiguously quantify the total number of ions in the pore solution. The exclusion parameter and selectivity factor are used to evaluate the selective capacity of pores toward different ionic species under various conditions. The number of coions inside the pore solution is determined by the proportion of different counterions present in the double-layer region. Because of the competitive effects resulting from asymmetries in charge and size associated with different ions, the electrosorption selectivity of small monovalent over large divalent counterions first decreases with increasing surface charge, passes through a minimum, and then increases with further increase in surface charge. At low and moderate surface charge densities, the fact that large divalent counterions preferentially screen the surface charge has a strong effect on pore occupancy; whereas at a very high surface charge density, size-exclusion effects dominate and determine the accessibility of different ions into the pores. Therefore, electrosorption selectivity of ions from a mixture of electrolytes could, in principle, be achieved via tuning the electrical double-layer formation inside the pores through the regulation of surface charge tailored for different ion characteristics. The findings of this work provide important information relevant to ion selectivity during separation processes and energy storage in supercapacitors.

  5. The underlying toxicological mechanism of chemical mixtures: A case study on mixture toxicity of cyanogenic toxicants and aldehydes to Photobacterium phosphoreum

    SciTech Connect (OSTI)

    Tian, Dayong; Lin, Zhifen; Zhou, Xianghong; Yin, Daqiang

    2013-10-15

    Intracellular chemical reaction of chemical mixtures is one of the main reasons that cause synergistic or antagonistic effects. However, it still remains unclear what the influencing factors on the intracellular chemical reaction are, and how they influence on the toxicological mechanism of chemical mixtures. To reveal this underlying toxicological mechanism of chemical mixtures, a case study on mixture toxicity of cyanogenic toxicants and aldehydes to Photobacterium phosphoreum was employed, and both their joint effects and mixture toxicity were observed. Then series of two-step linear regressions were performed to describe the relationships between joint effects, the expected additive toxicities and descriptors of individual chemicals (including concentrations, binding affinity to receptors, octanol/water partition coefficients). Based on the quantitative relationships, the underlying joint toxicological mechanisms were revealed. The result shows that, for mixtures with their joint effects resulting from intracellular chemical reaction, their underlying toxicological mechanism depends on not only their interaction with target proteins, but also their transmembrane actions and their concentrations. In addition, two generic points of toxicological mechanism were proposed including the influencing factors on intracellular chemical reaction and the difference of the toxicological mechanism between single reactive chemicals and their mixtures. This study provided an insight into the understanding of the underlying toxicological mechanism for chemical mixtures with intracellular chemical reaction. - Highlights: Joint effects of nitriles and aldehydes at non-equitoxic ratios were determined. A novel descriptor, ligandreceptor interaction energy (E{sub binding}), was employed. Quantitative relationships for mixtures were developed based on a novel descriptor. The underlying toxic mechanism was revealed based on quantitative relationships. Two generic points of

  6. Method for increasing the rate of compressive strength gain in hardenable mixtures containing fly ash

    DOE Patents [OSTI]

    Liskowitz, John W.; Wecharatana, Methi; Jaturapitakkul, Chai; Cerkanowicz, deceased, Anthony E.

    1997-01-01

    The present invention relates to concrete, mortar and other hardenable mixtures comprising cement and fly ash for use in construction. The invention provides a method for increasing the rate of strength gain of a hardenable mixture containing fly ash by exposing the fly ash to an aqueous slurry of calcium oxide (lime) prior to its incorporation into the hardenable mixture. The invention further relates to such hardenable mixtures, e.g., concrete and mortar, that contain fly ash pre-reacted with calcium oxide. In particular, the fly ash is added to a slurry of calcium oxide in water, prior to incorporating the fly ash in a hardenable mixture. The hardenable mixture may be concrete or mortar. In a specific embodiment, mortar containing fly ash treated by exposure to an aqueous lime slurry are prepared and tested for compressive strength at early time points.

  7. Method for increasing the rate of compressive strength gain in hardenable mixtures containing fly ash

    DOE Patents [OSTI]

    Liskowitz, J.W.; Wecharatana, M.; Jaturapitakkul, C.; Cerkanowicz, A.E.

    1997-10-28

    The present invention relates to concrete, mortar and other hardenable mixtures comprising cement and fly ash for use in construction. The invention provides a method for increasing the rate of strength gain of a hardenable mixture containing fly ash by exposing the fly ash to an aqueous slurry of calcium oxide (lime) prior to its incorporation into the hardenable mixture. The invention further relates to such hardenable mixtures, e.g., concrete and mortar, that contain fly ash pre-reacted with calcium oxide. In particular, the fly ash is added to a slurry of calcium oxide in water, prior to incorporating the fly ash in a hardenable mixture. The hardenable mixture may be concrete or mortar. In a specific embodiment, mortar containing fly ash treated by exposure to an aqueous lime slurry are prepared and tested for compressive strength at early time points. 2 figs.

  8. Methods and compositions for removing carbon dioxide from a gaseous mixture

    DOE Patents [OSTI]

    Li, Jing; Wu, Haohan

    2014-06-24

    Provided is a method for adsorbing or separating carbon dioxide from a mixture of gases by passing the gas mixture through a porous three-dimensional polymeric coordination compound having a plurality of layers of two-dimensional arrays of repeating structural units, which results in a lower carbon dioxide content in the gas mixture. Thus, this invention provides useful compositions and methods for removal of greenhouse gases, in particular CO.sub.2, from industrial flue gases or from the atmosphere.

  9. Membrane permeation process for dehydration of organic liquid mixtures using sulfonated ion-exchange polyalkene membranes

    DOE Patents [OSTI]

    Cabasso, Israel; Korngold, Emmanuel

    1988-01-01

    A membrane permeation process for dehydrating a mixture of organic liquids, such as alcohols or close boiling, heat sensitive mixtures. The process comprises causing a component of the mixture to selectively sorb into one side of sulfonated ion-exchange polyalkene (e.g., polyethylene) membranes and selectively diffuse or flow therethrough, and then desorbing the component into a gas or liquid phase on the other side of the membranes.

  10. Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    | Department of Energy Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results 2003 DEER Conference Presentation: The Ohio State University 2003_deer_rizzoni.pdf (987.99 KB) More Documents & Publications Diesel HCCI with External Mixture Preparation Gasoline-like fuel effects on advanced combustion regimes A Mixed Mode HCCI/DI Engine Based on a Novel Heavy Fuel Atomizer

  11. Self-assembly of mixtures of nanorods in binary, phase-separating...

    Office of Scientific and Technical Information (OSTI)

    Title: Self-assembly of mixtures of nanorods in binary, phase-separating blends Aligned nanorod inclusions have the potential to significantly improve both the photovoltaic and ...

  12. Separation of a target substance from a fluid or mixture using...

    Office of Scientific and Technical Information (OSTI)

    the fluid or mixture by driving off the target substance from the capsules. Authors: Aines, Roger D ; Spadaccini, Christopher M ; Stolaroff, Joshuah K ; Bourcier, William L ;...

  13. Production and delivery of a fluid mixture to an annular volume of a wellbore

    DOE Patents [OSTI]

    Hermes, Robert E.; Bland, Ronald Gene; Foley, Ron Lee; Bloys, James B.; Gonzalez, Manuel E.; Daniel, John M.; Robinson, Ian M.; Carpenter, Robert B.

    2012-01-24

    The methods described herein generally relate to preparing and delivering a fluid mixture to a confined volume, specifically an annular volume located between two concentrically oriented casing strings within a hydrocarbon fluid producing well. The fluid mixtures disclosed herein are useful in controlling pressure in localized volumes. The fluid mixtures comprise at least one polymerizable monomer and at least one inhibitor. The processes and methods disclosed herein allow the fluid mixture to be stored, shipped and/or injected into localized volumes, for example, an annular volume defined by concentric well casing strings.

  14. Differential effects of a complex organochlorine mixture on the proliferation of breast cancer cell lines

    SciTech Connect (OSTI)

    Aube, Michel; Larochelle, Christian; Ayotte, Pierre; Laboratoire de Toxicologie, Institut national de sante publique du Quebec, 945 avenue Wolfe, Quebec, QC, Canada G1V 5B3

    2011-04-15

    Organochlorine compounds (OCs) are a group of persistent chemicals that accumulate in fatty tissues with age. Although OCs has been tested individually for their capacity to induce breast cancer cell proliferation, few studies examined the effect of complex mixtures that comprise compounds frequently detected in the serum of women. We constituted such an OC mixture containing 15 different components in environmentally relevant proportions and assessed its proliferative effects in four breast cancer cell lines (MCF-7, T47D, CAMA-1, MDAMB231) and in non-cancerous CV-1 cells. We also determined the capacity of the mixture to modulate cell cycle stage of breast cancer cells and to induce estrogenic and antiandrogenic effects using gene reporter assays. We observed that low concentrations of the mixture (100x10{sup 3} and 50x10{sup 3} dilutions) stimulated the proliferation of MCF-7 cells while higher concentrations (10x10{sup 3} and 5x10{sup 3} dilutions) had the opposite effect. In contrast, the mixture inhibited the proliferation of non-hormone-dependent cell lines. The mixture significantly increased the number of MCF-7 cells entering the S phase, an effect that was blocked by the antiestrogen ICI 182,780. Low concentrations of the mixture also caused an increase in CAMA-1 cell proliferation but only in the presence estradiol and dihydrotestosterone (p<0.05 at the 50x10{sup 3} dilution). DDT analogs and polychlorinated biphenyls all had the capacity to stimulate the proliferation of CAMA-1 cells in the presence of sex steroids. Reporter gene assays further revealed that the mixture and several of its constituents (DDT analogs, aldrin, dieldrin, {beta}-hexachlorocyclohexane, toxaphene) induced estrogenic effects, whereas the mixture and several components (DDT analogs, aldrin, dieldrin and PCBs) inhibited the androgen signaling pathway. Our results indicate that the complex OC mixture increases the proliferation of MCF-7 cells due to its estrogenic potential. The

  15. What Are the Best Materials to Separate a Xenon/Krypton Mixture...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Best Materials to Separate a XenonKrypton Mixture? Previous Next List Simon, Cory M.; Mercado, Rocio; Schnell, Sondre; Smit, Berend; and Haranczyk, Maciej. What Are the Best...

  16. CO2-H2O Mixtures in the Geological Sequestration of CO2. II....

    Office of Scientific and Technical Information (OSTI)

    and Duan and Sun (2003), which can be extended to chloride solutions other than NaCl. ... BRINES; CHLORIDES; MIXTURES; REACTION KINETICS; SOLUBILITY; SUN; THERMODYNAMIC ACTIVITY

  17. CO2-H2O Mixtures in the Geological Sequestration of CO2. II....

    Office of Scientific and Technical Information (OSTI)

    and Duan and Sun (2003), which can be extended to chloride solutions other than NaCl. ... MIXTURES; REACTION KINETICS; SOLUBILITY; SUN; THERMODYNAMIC ACTIVITY Word Cloud More ...

  18. Slurried solid media for simultaneous water purification and carbon dioxide removal from gas mixtures

    DOE Patents [OSTI]

    Aines, Roger D.; Bourcier, William L.; Viani, Brian

    2013-01-29

    A slurried solid media for simultaneous water purification and carbon dioxide removal from gas mixtures includes the steps of dissolving the gas mixture and carbon dioxide in water providing a gas, carbon dioxide, water mixture; adding a porous solid media to the gas, carbon dioxide, water mixture forming a slurry of gas, carbon dioxide, water, and porous solid media; heating the slurry of gas, carbon dioxide, water, and porous solid media producing steam; and cooling the steam to produce purified water and carbon dioxide.

  19. Method of extracting iodine from liquid mixtures of iodine, water and hydrogen iodide

    DOE Patents [OSTI]

    Mysels, Karol J.

    1979-01-01

    The components of a liquid mixture consisting essentially of HI, water and at least about 50 w/o iodine are separated in a countercurrent extraction zone by treating with phosphoric acid containing at least about 90 w/o H.sub.3 PO.sub.4. The bottom stream from the extraction zone is substantially completely molten iodine, and the overhead stream contains water, HI, H.sub.3 PO.sub.4 and a small fraction of the amount of original iodine. When the water and HI are present in near-azeotropic proportions, there is particular advantage in feeding the overhead stream to an extractive distillation zone wherein it is treated with additional concentrated phosphoric acid to create an anhydrous HI vapor stream and bottoms which contain at least about 85 w/o H.sub.3 PO.sub.4. Concentration of these bottoms provides phosphoric acid infeed for both the countercurrent extraction zone and for the extractive distillation zone.

  20. Torsional rheometer for granular materials slurries and gas-solid mixtures and related methods

    DOE Patents [OSTI]

    Rajagopal, C.; Rajagopal, K.R.; Yalamanchili, R.C.

    1997-03-11

    A torsional rheometer apparatus for determining rheological properties of a specimen is provided. A stationary plate and a rotatable plate are in generally coaxial position and structured to receive a specimen there between. In one embodiment, at least one of the plates and preferably both have roughened specimen engaging surfaces to serve to reduce undesired slippage between the plate and the specimen. A motor is provided to rotate the rotatable plate and a transducer for monitoring forces applied to the stationary plate and generating output signals to a computer which determines the desired rheological properties are provided. In one embodiment, the roughened surfaces consist of projections extending toward the specimen. Where granular material is being evaluated, it is preferred that the roughness of the plate is generally equal to the average size of the granular material being processed. In another embodiment, an air-solid mixture is processed and the roughened portions are pore openings in the plates. Air flows through the region between the two pore containing plates to maintain the solid materials in suspension. In yet another embodiment, the base of the stationary plate is provided with a deformable capacitance sensor and associated electronic means. 17 figs.

  1. Torsional rheometer for granular materials slurries and gas-solid mixtures and related methods

    DOE Patents [OSTI]

    Rajagopal, Chandrika; Rajagopal, Kumbakonam R.; Yalamanchili, Rattaya C.

    1997-01-01

    A torsional rheometer apparatus for determining rheological properties of a specimen is provided. A stationary plate and a rotatable plate are in generally coaxial position and structured to receive a specimen therebetween. In one embodiment, at least one of the plates and preferably both have roughened specimen engaging surfaces to serve to reduce undesired slippage between the plate and the specimen. A motor is provided to rotate the rotatable plate and a transducer for monitoring forces applied to the stationary plate and generating output signals to a computer which determines the desired rheological properties are provided. In one embodiment, the roughened surfaces consist of projections extending toward the specimen. Where granular material is being evaluated, it is preferred that the roughness of the plate is generally equal to the average size of the granular material being processed. In another embodiment, an air-solid mixture is processed and the roughened portions are pore openings in the plates. Air flows through the region between the two pore containing plates to maintain the solid materials in suspension. In yet another embodiment, the base of the stationary plate is provided with a deformable capacitance sensor and associated electronic means.

  2. Third minima in thorium and uranium isotopes in a self-consistent...

    Office of Scientific and Technical Information (OSTI)

    Third minima in thorium and uranium isotopes in a self-consistent theory Title: Third ... Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud ...

  3. A self-consistent phase-field approach to implicit solvation...

    Office of Scientific and Technical Information (OSTI)

    Publisher's Accepted Manuscript: A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics This content will become...

  4. Bonding and structure in dense multi-component molecular mixtures

    SciTech Connect (OSTI)

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D.; Collins, Lee A.

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systems engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.

  5. Physical and mechanical properties of bituminous mixtures containing oil shales

    SciTech Connect (OSTI)

    Katamine, N.M.

    2000-04-01

    Rutting of bituminous surfaces on the Jordanian highways is a recurring problem. Highway authorities are exploring the use of extracted shale oil and oil shale fillers, which are abundant in Jordan. The main objectives of this research are to investigate the rheological properties of shale oil binders (conventional binder with various percentages of shale oil), in comparison with a conventional binder, and to investigate the ability of mixes to resist deformation. The latter is done by considering three wearing course mixes containing three different samples of oil shale fillers--which contained three different oil percentages--together with a standard mixture containing limestone filler. The Marshall design method and the immersion wheel tracking machine were adopted. It was concluded that the shale oil binders displayed inconsistent physical properties and therefore should be treated before being used. The oil shale fillers have provided mixes with higher ability to resist deformation than the standard mix, as measured by the Marshall quotients and the wheel tracking machine. The higher the percentages of oil in the oil shale fillers, the lower the ability of the mixes to resist deformation.

  6. Polymer crowding and shape distributions in polymer-nanoparticle mixtures

    SciTech Connect (OSTI)

    Lim, Wei Kang; Denton, Alan R.

    2014-09-21

    Macromolecular crowding can influence polymer shapes, which is important for understanding the thermodynamic stability of polymer solutions and the structure and function of biopolymers (proteins, RNA, DNA) under confinement. We explore the influence of nanoparticle crowding on polymer shapes via Monte Carlo simulations and free-volume theory of a coarse-grained model of polymer-nanoparticle mixtures. Exploiting the geometry of random walks, we model polymer coils as effective penetrable ellipsoids, whose shapes fluctuate according to the probability distributions of the eigenvalues of the gyration tensor. Accounting for the entropic cost of a nanoparticle penetrating a larger polymer coil, we compute the crowding-induced shift in the shape distributions, radius of gyration, and asphericity of ideal polymers in a theta solvent. With increased nanoparticle crowding, we find that polymers become more compact (smaller, more spherical), in agreement with predictions of free-volume theory. Our approach can be easily extended to nonideal polymers in good solvents and used to model conformations of biopolymers in crowded environments.

  7. Interfacial tension in high-pressure carbon dioxide mixtures

    SciTech Connect (OSTI)

    Chun, B.S.; Wilkinson, G.T.

    1995-12-01

    High-pressure interfacial- and surface-tension phenomena govern the migration and recovery of oil and gas from hydrocarbon reservoirs. The phenomena are of particular relevance to phase separation and mass transfer in light hydrocarbon fractionation plants and in propane deasphalting in lubricating oil refining. Interfacial tensions of carbon dioxide-water-alcohol mixtures were measured at temperatures in the range 5--71 C and pressures 0.1--18.6 MPa, using the capillary rise method. The alcohols were methanol (0.136 mf), ethanol (to 0.523 mf), and isopropyl alcohol (to 0.226 mf). Interfacial tension (IFT) decreased linearly with both temperature and pressure din the low-pressure range (gaseous CO{sub 2}) but was largely independent of pressure at high pressure (liquid or supercritical CO{sub 2}). There was a zone in the vicinity of the critical pressure of CO{sub 2}-as much as 20 C below and 10 C above the carbon dioxide critical temperature--where IFT became small. This is attributed to the formation of a second CO{sub 2}-rich phase. The isotherms exhibited a crossover pressure near 3 MPa for all systems examined.

  8. Flammability of selected heat resistant alloys in oxygen gas mixtures

    SciTech Connect (OSTI)

    Zawierucha, R.; McIlroy, K.; Million, J.F.

    1995-12-31

    Within recent years, the use of oxygen has increased in applications where elevated temperatures and corrosion may be significant factors. In such situations, traditional alloys used in oxygen systems will not be adequate. Where alternative alloys must be utilized, based upon environmental requirements, it is essential that they may be characterized with respect to their ignition and combustion resistance in oxygen. Promoted ignition and promoted ignition-combustion are terms which have been used to describe a situation where a substance with low oxygen supports the combustion of a compatibility ignites and more ignition resistant material. In this paper, data will be presented on the promoted ignition-combustion behavior of selected heat resistant engineering alloys that may be considered for gaseous oxygen applications in severe environments. In this investigation, alloys have been evaluated via both flowing and static (fixed volume) approaches using a rod configuration. Oxygen-nitrogen gas mixtures with compositions ranging from approximately 40 to 99.7% oxygen at pressures of 3.55 to 34.6 MPa were used in the comparative studies.

  9. Bonding and structure in dense multi-component molecular mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D.; Collins, Lee A.

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systemsmore » engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.« less

  10. Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture

    SciTech Connect (OSTI)

    Kasai, Yukako; Yoshida, Norio Nakano, Haruyuki

    2015-05-28

    The co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture was examined using the reference interaction-site model self-consistent field theory. The free energy profiles of the proton transfer reaction of glycine between the carboxyl oxygen and amino nitrogen were computed in a water–acetonitrile mixture solvent at various molar fractions. Two types of reactions, the intramolecular proton transfer and water-mediated proton transfer, were considered. In both types of the reactions, a similar tendency was observed. In the pure water solvent, the zwitterionic form, where the carboxyl oxygen is deprotonated while the amino nitrogen is protonated, is more stable than the neutral form. The reaction free energy is −10.6 kcal mol{sup −1}. On the other hand, in the pure acetonitrile solvent, glycine takes only the neutral form. The reaction free energy from the neutral to zwitterionic form gradually increases with increasing acetonitrile concentration, and in an equally mixed solvent, the zwitterionic and neutral forms are almost isoenergetic, with a difference of only 0.3 kcal mol{sup −1}. The free energy component analysis based on the thermodynamic cycle of the reaction also revealed that the free energy change of the neutral form is insensitive to the change of solvent environment but the zwitterionic form shows drastic changes. In particular, the excess chemical potential, one of the components of the solvation free energy, is dominant and contributes to the stabilization of the zwitterionic form.

  11. Corrosion and protection of mild steel in petroleum distillates electrolyte mixtures

    SciTech Connect (OSTI)

    Groysman, A.; Erdman, N.

    1999-11-01

    The purpose of this study is to examine the influence of water and salts present on the corrosion process in petroleum distillate electrolyte mixtures and evaluation of inorganic inhibitors efficiency for protection of mild steel in these mixtures. Most of the research in this area until now was done with hydrocarbon water mixtures with relatively high concentrations of water (above 5 % volume). This study was conducted using mixtures of light petroleum distillates (naphtha and gasoline) and water with water concentrations in the mixture below 5% volume. The study confirmed the electrochemical origin of the corrosion mechanism and showed that the main cause of the corrosion in the petroleum distillate water mixtures is the presence of water and dissolved oxygen. Critical added water concentrations were evaluated for naphtha-water and gasoline-water mixtures. The most efficient concentrations of inorganic inhibitors were determined and the inhibition mechanism was confirmed. Valuable data regarding different types of corrosion attack (pitting or uniform corrosion) on mild steel in petroleum distillate electrolyte mixtures was acquired during the study.

  12. Catalyst functionalized buffer sorbent pebbles for rapid separation of carbon dioxide from gas mixtures

    DOE Patents [OSTI]

    Aines, Roger D

    2015-03-31

    A method for separating CO.sub.2 from gas mixtures uses a slurried media impregnated with buffer compounds and coating the solid media with a catalyst or enzyme that promotes the transformation of CO.sub.2 to carbonic acid. Buffer sorbent pebbles with a catalyst or enzyme coating are provided for rapid separation of CO.sub.2 from gas mixtures.

  13. Catalyst functionalized buffer sorbent pebbles for rapid separation of carbon dioxide from gas mixtures

    DOE Patents [OSTI]

    Aines, Roger D.

    2013-03-12

    A method for separating CO.sub.2 from gas mixtures uses a slurried media impregnated with buffer compounds and coating the solid media with a catalyst or enzyme that promotes the transformation of CO.sub.2 to carbonic acid. Buffer sorbent pebbles with a catalyst or enzyme coating are provided for rapid separation of CO.sub.2 from gas mixtures.

  14. Sequestration of CO2 in Mixtures of Bauxite Residue and Saline Wastewater

    SciTech Connect (OSTI)

    Dilmore, R.M.; Lu, Peng; Allen, D.E.; Soong, Yee; Hedges, S.W.; Fu, J.K.; Dobbs, C.L.; DeGalbo, A.D.; Zhu, Chen

    2008-01-01

    Experiments were conducted to explore the concept of beneficially utilizing mixtures of caustic bauxite residue slurry (pH 13) and produced oil-field brine to sequester carbon dioxide from flue gas generated from industrial point sources. Data presented herein provide a preliminary assessment of the overall feasibility of this treatment concept. The Carbonation capacity of bauxite residue/brine mixtures was considered over the full range of reactant mixture combinations in 10% increments by volume. A bauxite residue/brine mixture of 90/10 by volume exhibited a CO2 sequestration capacity of greater than 9.5 g/L when exposed to pure CO2 at 20 °C and 0.689 MPa (100 psig). Dawsonite and calcite formation were predicted to be the dominant products of bauxite/brine mixture carbonation. It is demonstrated that CO2 sequestration is augmented by adding bauxite residue as a caustic agent to acidic brine solutions and that trapping is accomplished through both mineralization and solubilization. The product mixture solution was, in nearly all mixtures, neutralized following carbonation. However, in samples (bauxite residue/brine mixture of 90/10 by volume) containing bauxite residue solids, the pH was observed to gradually increase to as high as 9.7 after aging for 33 days, suggesting that the CO2 sequestration capacity of the samples increases with aging. Our geochemical models generally predicted the experimental results of carbon sequestration capacities and solution pH.

  15. Method and compositions for the degradation of tributyl phosphate in chemical waste mixtures

    DOE Patents [OSTI]

    Stoner, Daphne L.; Tien, Albert J.

    1995-01-01

    A method and process for the degradation of tributyl phosphate in an organic waste mixture and a biologically pure, novel bacteria culture for accomplishing the same. A newly-discovered bacteria (a strain of Acinetobacter sp. ATCC 55587) is provided which is combined in a reactor vessel with a liquid waste mixture containing tributyl phosphate and one or more organic waste compounds capable of functioning as growth substrates for the bacteria. The bacteria is thereafter allowed to incubate within the waste mixture. As a result, the tributyl phosphate and organic compounds within the waste mixture are metabolized (degraded) by the bacteria, thereby eliminating such materials which are environmentally hazardous. In addition, the bacteria is capable of degrading waste mixtures containing high quantities of tributyl phosphate (e.g. up to about 1.0% by weight tributyl phosphate).

  16. Method and compositions for the degradation of tributyl phosphate in chemical waste mixtures

    DOE Patents [OSTI]

    Stoner, D.L.; Tien, A.J.

    1995-09-26

    A method and process are disclosed for the degradation of tributyl phosphate in an organic waste mixture and a biologically pure, novel bacteria culture for accomplishing the same. A newly-discovered bacteria (a strain of Acinetobacter sp. ATCC 55587) is provided which is combined in a reactor vessel with a liquid waste mixture containing tributyl phosphate and one or more organic waste compounds capable of functioning as growth substrates for the bacteria. The bacteria is thereafter allowed to incubate within the waste mixture. As a result, the tributyl phosphate and organic compounds within the waste mixture are metabolized (degraded) by the bacteria, thereby eliminating such materials which are environmentally hazardous. In addition, the bacteria is capable of degrading waste mixtures containing high quantities of tributyl phosphate (e.g. up to about 1.0% by weight tributyl phosphate). 6 figs.

  17. New Study Shows Solar Manufacturing Costs Not Driven Primarily...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    subsidies for PV manufacturing in China account for that country's dominance in PV ... The study's findings also suggest that the current advantages of China-based manufacturers ...

  18. Self-consistent determination of low-[ital Z][sub [ital a

    SciTech Connect (OSTI)

    Vahala, L.; Gerdin, G.; El Cashlan, A.G. ); Parks, P. )

    1992-10-01

    The ablation dynamics of LiT pellets are solved self-consistently over a modest range of parameters using a surface dissociation model. The self-consistently determined parameters are then used to modify the standard low-[ital Z] pellet penetration codes. Since LiT pellets have certain advantages over carbon [in particular, Li conditioning of the walls and T for refueling a D--T reaction], the penetration of LiT into fusion plasmas is considered.

  19. Morphological Characterization of DMPC/CHAPSO Bicellar Mixtures: A Combined SANS and NMR Study

    SciTech Connect (OSTI)

    Li, Ming; Morales, Hannah H; Katsaras, John; Kucerka, Norbert; Yang, Yongkun; Macdonald, P; Nieh, Mu-Ping

    2013-01-01

    Spontaneously forming structures of a system composed of dimyristoyl phosphatidylcholine (DMPC) and 3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO) were studied by small-angle neutron scattering (SANS), 31P NMR, and stimulated echo (STE) pulsed field gradient (PFG) 1H NMR diffusion measurements. Charged lipid dimyristoyl phosphatidylglycerol (DMPG) was used to induce different surface charge densities. The structures adopted were investigated as a function of temperature and lipid concentration for samples with a constant molar ratio of long-chain to short-chain lipids (=3). In the absence of DMPG, zwitterionic bicellar mixtures exhibited a phase transition from discoidal bicelles, or ribbons, to multilamellar vesicles either upon dilution or with increased temperature. CHAPSO-containing mixtures showed a higher thermal stability in morphology than DHPC-containing mixtures at the corresponding lipid concentrations. In the presence of DMPG, discoidal bicelles (or ribbons) were also found at low temperature and lower lipid concentration mixtures. At high temperature, perforated lamellae were observed in high concentration mixtures ( 7.5 wt %) whereas uniform unilamellar vesicles and bicelles formed in low-concentration mixtures ( 2.5 wt %), respectively, when the mixtures were moderately and highly charged. From the results, spontaneous structural diagrams of the zwitterionic and charged systems were constructed.

  20. Method of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, L.A.; Ryan, J.L.

    1999-03-23

    The present invention is a method of removing an impurity of plutonium, lead or a combination thereof from a mixture of radionuclides that contains the impurity and at least one parent radionuclide. The method has the steps of (a) insuring that the mixture is a hydrochloric acid mixture; (b) oxidizing the acidic mixture and specifically oxidizing the impurity to its highest oxidation state; and (c) passing the oxidized mixture through a chloride form anion exchange column whereupon the oxidized impurity absorbs to the chloride form anion exchange column and the {sup 229}Th or {sup 227}Ac ``cow`` radionuclide passes through the chloride form anion exchange column. The plutonium is removed for the purpose of obtaining other alpha emitting radionuclides in a highly purified form suitable for medical therapy. In addition to plutonium, lead, iron, cobalt, copper, uranium, and other metallic cations that form chloride anionic complexes that may be present in the mixture are removed from the mixture on the chloride form anion exchange column. 8 figs.

  1. Method of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, Lane A.; Ryan, Jack L.

    1999-01-01

    The present invention is a method of removing an impurity of plutonium, lead or a combination thereof from a mixture of radionuclides that contains the impurity and at least one parent radionuclide. The method has the steps of (a) insuring that the mixture is a hydrochloric acid mixture; (b) oxidizing the acidic mixture and specifically oxidizing the impurity to its highest oxidation state; and (c) passing the oxidized mixture through a chloride form anion exchange column whereupon the oxidized impurity absorbs to the chloride form anion exchange column and the 22.sup.9 Th or 2.sup.27 Ac "cow" radionuclide passes through the chloride form anion exchange column. The plutonium is removed for the purpose of obtaining other alpha emitting radionuclides in a highly purified form suitable for medical therapy. In addition to plutonium; lead, iron, cobalt, copper, uranium, and other metallic cations that form chloride anionic complexes that may be present in the mixture; are removed from the mixture on the chloride form anion exchange column.

  2. Modeling mixtures of thyroid gland function disruptors in a vertebrate alternative model, the zebrafish eleutheroembryo

    SciTech Connect (OSTI)

    Thienpont, Benedicte; Barata, Carlos; Ralda, Demetrio

    2013-06-01

    Maternal thyroxine (T4) plays an essential role in fetal brain development, and even mild and transitory deficits in free-T4 in pregnant women can produce irreversible neurological effects in their offspring. Women of childbearing age are daily exposed to mixtures of chemicals disrupting the thyroid gland function (TGFDs) through the diet, drinking water, air and pharmaceuticals, which has raised the highest concern for the potential additive or synergic effects on the development of mild hypothyroxinemia during early pregnancy. Recently we demonstrated that zebrafish eleutheroembryos provide a suitable alternative model for screening chemicals impairing the thyroid hormone synthesis. The present study used the intrafollicular T4-content (IT4C) of zebrafish eleutheroembryos as integrative endpoint for testing the hypotheses that the effect of mixtures of TGFDs with a similar mode of action [inhibition of thyroid peroxidase (TPO)] was well predicted by a concentration addition concept (CA) model, whereas the response addition concept (RA) model predicted better the effect of dissimilarly acting binary mixtures of TGFDs [TPO-inhibitors and sodium-iodide symporter (NIS)-inhibitors]. However, CA model provided better prediction of joint effects than RA in five out of the six tested mixtures. The exception being the mixture MMI (TPO-inhibitor)-KClO{sub 4} (NIS-inhibitor) dosed at a fixed ratio of EC{sub 10} that provided similar CA and RA predictions and hence it was difficult to get any conclusive result. There results support the phenomenological similarity criterion stating that the concept of concentration addition could be extended to mixture constituents having common apical endpoints or common adverse outcomes. - Highlights: Potential synergic or additive effect of mixtures of chemicals on thyroid function. Zebrafish as alternative model for testing the effect of mixtures of goitrogens. Concentration addition seems to predict better the effect of mixtures

  3. Separation of a target substance from a fluid or mixture using encapsulated sorbents

    SciTech Connect (OSTI)

    Aines, Roger D; Spadaccini, Christopher M; Stolaroff, Joshuah K; Bourcier, William L; Lewis, Jennifer A; Duoss, Eric B; Vericella, John J

    2014-09-16

    Method and apparatus for separating a target substance from a fluid or mixture. Capsules having a coating and stripping solvents encapsulated in the capsules are provided. The coating is permeable to the target substance. The capsules having a coating and stripping solvents encapsulated in the capsules are exposed to the fluid or mixture. The target substance migrates through the coating and is taken up by the stripping solvents. The target substance is separated from the fluid or mixture by driving off the target substance from the capsules.

  4. Method of producing homogeneous mixed metal oxides and metal-metal oxide mixtures

    DOE Patents [OSTI]

    Quinby, Thomas C.

    1978-01-01

    Metal powders, metal oxide powders, and mixtures thereof of controlled particle size are provided by reacting an aqueous solution containing dissolved metal values with excess urea. Upon heating, urea reacts with water from the solution leaving a molten urea solution containing the metal values. The molten urea solution is heated to above about 180.degree. C. whereupon metal values precipitate homogeneously as a powder. The powder is reduced to metal or calcined to form oxide particles. One or more metal oxides in a mixture can be selectively reduced to produce metal particles or a mixture of metal and metal oxide particles.

  5. High-temperature sorbent method for removal of sulfur containing gases from gaseous mixtures

    DOE Patents [OSTI]

    Young, J.E.; Jalan, V.M.

    1984-06-19

    A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorption capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

  6. High-temperature sorbent method for removal of sulfur-containing gases from gaseous mixtures

    DOE Patents [OSTI]

    Young, J.E.; Jalan, V.M.

    1982-07-07

    A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorbtion capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

  7. Storage of H.sub.2 by absorption and/or mixture within a fluid medium

    DOE Patents [OSTI]

    Berry, Gene David; Aceves, Salvador Martin

    2007-03-20

    For the first time, a hydrogen storage method, apparatus and system having a fluid mixture is provided. At predetermined pressures and/or temperatures within a contained substantially fixed volume, the fluid mixture can store a high density of hydrogen molecules, wherein a predetermined phase of the fluid mixture is capable of being withdrawn from the substantially fixed volume for use as a vehicle fuel or energy storage having reduced and/or eliminated evaporative losses, especially where storage weight, vessel cost, vessel shape, safety, and energy efficiency are beneficial.

  8. High-temperature sorbent method for removal of sulfur containing gases from gaseous mixtures

    DOE Patents [OSTI]

    Young, John E.; Jalan, Vinod M.

    1984-01-01

    A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorption capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

  9. Measurement of nitrogen content in a gas mixture by transforming the nitrogen into a substance detectable with nondispersive infrared detection

    DOE Patents [OSTI]

    Owen, Thomas E.; Miller, Michael A.

    2010-08-24

    A method of determining the amount of nitrogen in a gas mixture. The constituent gases of the mixture are dissociated and transformed to create a substance that may measured using nondispersive infrared adsorption techniques.

  10. Measurement of nitrogen content in a gas mixture by transforming the nitrogen into a substance detectable with nondispersive infrared detection

    DOE Patents [OSTI]

    Owen, Thomas E.; Miller, Michael A.

    2007-03-13

    A method of determining the amount of nitrogen in a gas mixture. The constituent gases of the mixture are dissociated and transformed to create a substance that may measured using nondispersive infrared adsorption techniques.

  11. The production of high load coal-water mixtures on the base of Kansk-Achinsk Coal Basin

    SciTech Connect (OSTI)

    Demidov, Y.; Bruer, G.; Kolesnikova, S.

    1995-12-01

    The results of the {open_quotes}KATEKNIIugol{close_quotes} work on the problems of high load coal-water mixtures are given in this article. General principles of the mixture production, short characteristics of Kansk-Achinsk coals, the experimental results of the coal mixture production on a test-industrial scale, the suspension preparation on the base of coal mixtures, technical-economical indexes of tested coal pipeline variants based on Kansk-Achinsk coals are described.

  12. Doubly self-consistent field theory of grafted polymers under simple shear in steady state

    SciTech Connect (OSTI)

    Suo, Tongchuan; Whitmore, Mark D.

    2014-03-21

    We present a generalization of the numerical self-consistent mean-field theory of polymers to the case of grafted polymers under simple shear. The general theoretical framework is presented, and then applied to three different chain models: rods, Gaussian chains, and finitely extensible nonlinear elastic (FENE) chains. The approach is self-consistent at two levels. First, for any flow field, the polymer density profile and effective potential are calculated self-consistently in a manner similar to the usual self-consistent field theory of polymers, except that the calculation is inherently two-dimensional even for a laterally homogeneous system. Second, through the use of a modified Brinkman equation, the flow field and the polymer profile are made self-consistent with respect to each other. For all chain models, we find that reasonable levels of shear cause the chains to tilt, but it has very little effect on the overall thickness of the polymer layer, causing a small decrease for rods, and an increase of no more than a few percent for the Gaussian and FENE chains. Using the FENE model, we also probe the individual bond lengths, bond correlations, and bond angles along the chains, the effects of the shear on them, and the solvent and bonded stress profiles. We find that the approximations needed within the theory for the Brinkman equation affect the bonded stress, but none of the other quantities.

  13. Thermodynamic approach to the interpretation of self-consistent pressure profiles in a tokamak

    SciTech Connect (OSTI)

    Dyabilin, K. S.; Razumova, K. A.

    2015-09-15

    The phenomenon of invariable pressure profiles in tokamaks is interpreted in the framework of the thermodynamic approach suggesting that invariable self-consistent states correspond to the minimum of free energy. Solutions qualitatively consistent with the experiment are obtained under the assumption that the mechanism for the formation of self-consistent profiles is directly related to equilibrium diamagnetic currents. The dynamics of the system and specific transport phenomena, such as energy and particle pinching and a decrease in the local density under auxiliary electron cyclotron resonance heating (density pump-out), are analyzed in the vicinity of an equilibrium state characterized by a stable pressure profile. The scaling for the energy confinement time deduced from the transport model agrees qualitatively with the ITER scaling based on the analysis of experimental data obtained in many tokamaks. The possibility of using generalized Tsallis statistics to analyze pressure profiles is considered.

  14. Mixtures of SF6 CO2 as working fluids for geothermal power plants...

    Office of Scientific and Technical Information (OSTI)

    13 and 15% mole content of SF6 in a CO2- SF6 mixture for a Brayton cycle and a Rankine cycle, respectively. Authors: Yin, Hebi 1 ; Sabau, Adrian S 1 ; Conklin, Jim...

  15. Kinetic Modeling of Gasoline Surrogate Components and Mixtures under Engine Conditions

    SciTech Connect (OSTI)

    Mehl, M; Pitz, W J; Westbrook, C K; Curran, H J

    2010-01-11

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, an improved version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multicomponent gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines (3-50 atm, 650-1200K, stoichiometric fuel/air mixtures). Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  16. Characterization of zirconia- and niobia-silica mixture coatings produced by ion-beam sputtering

    SciTech Connect (OSTI)

    Melninkaitis, Andrius; Tolenis, Tomas; Mazule, Lina; Mirauskas, Julius; Sirutkaitis, Valdas; Mangote, Benoit; Fu Xinghai; Zerrad, Myriam; Gallais, Laurent; Commandre, Mireille; Kicas, Simonas; Drazdys, Ramutis

    2011-03-20

    ZrO{sub 2}-SiO{sub 2} and Nb{sub 2}O{sub 5}-SiO{sub 2} mixture coatings as well as those of pure zirconia (ZrO{sub 2}), niobia (Nb{sub 2}O{sub 5}), and silica (SiO{sub 2}) deposited by ion-beam sputtering were investigated. Refractive-index dispersions, bandgaps, and volumetric fractions of materials in mixed coatings were analyzed from spectrophotometric data. Optical scattering, surface roughness, nanostructure, and optical resistance were also studied. Zirconia-silica mixtures experience the transition from crystalline to amorphous phase by increasing the content of SiO{sub 2}. This also results in reduced surface roughness. All niobia and silica coatings and their mixtures were amorphous. The obtained laser-induced damage thresholds in the subpicosecond range also correlates with respect to the silica content in both zirconia- and niobia-silica mixtures.

  17. Gas adsorption and gas mixture separations using mixed-ligand MOF material

    DOE Patents [OSTI]

    Hupp, Joseph T.; Mulfort, Karen L.; Snurr, Randall Q.; Bae, Youn-Sang

    2011-01-04

    A method of separating a mixture of carbon dioxiode and hydrocarbon gas using a mixed-ligand, metal-organic framework (MOF) material having metal ions coordinated to carboxylate ligands and pyridyl ligands.

  18. Gas adsorption and gas mixture separations using carborane-based MOF material

    DOE Patents [OSTI]

    Farha, Omar K.; Hupp, Joseph T.; Bae, Youn-Sang; Snurr, Randall Q.; Spokoyny, Alexander M.; Mirkin, Chad A.

    2010-06-29

    A method of separating a mixture of carbon dioxide and a hydrocarbon gas using a metal-organic framework (MOF) material having a three-dimensional carborane ligand structure.

  19. Equations of state and transport properties of mixtures in the warm dense regime

    SciTech Connect (OSTI)

    Hou, Yong; Dai, Jiayu; Kang, Dongdong; Ma, Wen; Yuan, Jianmin

    2015-02-15

    We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide region of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.

  20. Method and apparatus for separating mixtures of gases using an acoustic wave

    DOE Patents [OSTI]

    Geller, Drew A.; Swift, Gregory W.; Backhaus, Scott N.

    2004-05-11

    A thermoacoustic device separates a mixture of gases. An elongated duct is provided with first and second ends and has a length that is greater than the wavelength of sound in the mixture of gases at a selected frequency, and a diameter that is greater than a thermal penetration depth in the mixture of gases. A first acoustic source is located at the first end of the duct to generate acoustic power at the selected frequency. A plurality of side branch acoustic sources are spaced along the length of the duct and are configured to introduce acoustic power into the mixture of gases so that a first gas is concentrated at the first end of the duct and a second gas is concentrated at the second end of the duct.

  1. ACTION CONCENTRATION FOR MIXTURES OF VOLATILE ORGANIC COMPOUNDS (VOC) & METHANE & HYDROGEN

    SciTech Connect (OSTI)

    MARUSICH, R.M.

    2006-07-10

    Waste containers may contain volatile organic compounds (VOCs), methane, hydrogen and possibly propane. These constituents may occur individually or in mixtures. Determining if a waste container contains a flammable concentration of flammable gases and vapors (from VOCs) is important to the safety of the handling, repackaging and shipping activities. This report provides the basis for determining the flammability of mixtures of flammable gases and vapors. The concentration of a mixture that is at the lowest flammability limit for that mixture is called the action concentration. The action concentration can be determined using total VOC concentrations or actual concentration of each individual VOC. The concentrations of hydrogen and methane are included with the total VOC or individual VOC concentration to determine the action concentration. Concentrations below this point are not flammable. Waste containers with gas/vapor concentrations at or above the action concentration are considered flammable.

  2. Analysis of Trace Gas Mixtures Using an External Cavity Quantum Cascade Laser Sensor

    SciTech Connect (OSTI)

    Phillips, Mark C.; Taubman, Matthew S.; Brumfield, Brian E.; Kriesel, Jason M.

    2015-07-01

    We measure and analyze mixtures of trace gases at ppb-ppm levels using an external cavity quantum cascade laser sensor with a 1-second response time. Accurate spectral fits are obtained in the presence of overlapping spectra.

  3. Hindering effects in diffusion of CO2/CH4 mixtures in ZIF-8 crystals...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hindering effects in diffusion of CO2CH4 mixtures in ZIF-8 crystals Previous Next List C. Chmelik, J. van Baten, and R. Krishna, J. Membr. Sci. 397, 87 (2012) DOI: 10.1016...

  4. Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bjorgaard, J. A.; Kuzmenko, V.; Velizhanin, K. A.; Tretiak, S.

    2015-01-22

    In this study, we implement and examine three excited state solvent models in time-dependent self-consistent field methods using a consistent formalism which unambiguously shows their relationship. These are the linear response, state specific, and vertical excitation solvent models. Their effects on energies calculated with the equivalent of COSMO/CIS/AM1 are given for a set of test molecules with varying excited state charge transfer character. The resulting solvent effects are explained qualitatively using a dipole approximation. It is shown that the fundamental differences between these solvent models are reflected by the character of the calculated excitations.

  5. On the nature of the molecular ordering of water in aqueous DMSO mixtures

    SciTech Connect (OSTI)

    Perera, Aurélien; Mazighi, Redha

    2015-10-21

    Computer simulation studies of aqueous dimethyl sulfoxyde (DMSO) mixtures show micro-heterogeneous structures, just like aqueous alcohol mixtures. However, there is a marked difference in the aggregate structure of water between the two types of systems. While water molecules form multiconnected globular clusters in alcohols, we report herein that the typical water aggregates in aqueous DMSO mixtures are linear, favouring a 2 hydrogen bond structure per water molecule, and for all DMSO mole fractions ranging from 0.1 to 0.9. This linear-aggregate structure produces a particular signature in the water site-site structure factors, in the form of a pre-peak at k ≈ 0.2–0.8 Å{sup −1}, depending on DMSO concentration. This pre-peak is either absent in other aqueous mixtures, such as aqueous methanol mixtures, or very difficult to see through computer simulations, such as in aqueous-t-butanol mixtures. This difference in the topology of the aggregates explains why the Kirkwood-Buff integrals of aqueous-DMSO mixture look nearly ideal, in contrast with those of aqueous alcohol mixtures, suggesting a connection between the shape of the water aggregates, its fluctuations, and the concentration fluctuations. In order to further study this discrepancy between aqueous DMSO and aqueous alcohol mixture, two models of pseudo-DMSO are introduced, where the size of the sulfur atom is increased by a factor 1.6 and 1.7, respectively, hence increasing the hydrophobicity of the molecule. The study shows that these mixtures become closer to the emulsion type seen in aqueous alcohol mixtures, with more globular clustering of the water molecules, long range domain oscillations in the water-water correlations and increased water-water Kirkwood-Buff integrals. It demonstrates that the local ordering of the water molecules is influenced by the nature of the solute molecules, with very different consequences for structural properties and related thermodynamic quantities. This study

  6. Sequestration of CO2 in Mixtures of Bauxite Residue and Saline Wastewater

    SciTech Connect (OSTI)

    Dilmore, Robert; Lu, Peng; Allen, Douglas; Soong, Yee; Hedges, Sheila; Fu, Jaw K.; Dobbs, Charles L.; Degalbo, Angelo; Zhu, Chen

    2008-01-01

    Experiments were conducted to explore the concept of beneficially utilizing mixtures of caustic bauxite residue slurry (pH 13) and produced oil-field brine to sequester carbon dioxide from flue gas generated from industrial point sources. Data presented herein provide a preliminary assessment of the overall feasibility of this treatment concept. The Carbonation capacity of bauxite residue/brine mixtures was considered over the full range of reactant mixture combinations in 10% increments by volume. A bauxite residue/brine mixture of 90/10 by volume exhibited a CO2 sequestration capacity of greater than 9.5 g/L when exposed to pure CO2 at 20 C and 0.689 MPa (100 psig). Dawsonite and calcite formation were predicted to be the dominant products of bauxite/brine mixture carbonation. It is demonstrated that CO2 sequestration is augmented by adding bauxite residue as a caustic agent to acidic brine solutions and that trapping is accomplished through both mineralization and solubilization. The product mixture solution was, in nearly all mixtures, neutralized following carbonation. However, in samples (bauxite residue/brine mixture of 90/10 by volume) containing bauxite residue solids, the pH was observed to gradually increase to as high as 9.7 after aging for 33 days, suggesting that the CO2 sequestration capacity of the samples increases with aging. Our geochemical models generally predicted the experimental results of carbon sequestration capacities and solution pH.

  7. Mixture Formation in a Light-Duty Diesel Engine | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Mixture Formation in a Light-Duty Diesel Engine Mixture Formation in a Light-Duty Diesel Engine Presents quantitative measurements of evolution of in-cylinder equivalence ratio distributions in a light-duty engine where wall interactions and strong swirl are significant deer12_miles.pdf (4.42 MB) More Documents & Publications Low-Temperature Automotive Diesel Combustion Light-Duty Diesel Combustion Vehicle Technologies Office Merit Review 2014: Light-Duty Diesel Combuston

  8. Sequestration of CO2 in Mixtures of Bauxite Residue and Saline Wastewater

    SciTech Connect (OSTI)

    Dilmore, Robert; Lu, Peng; Allen, Douglas; Soong, Yee; Hedges, Sheila; Fu, Jaw K.; Dobbs, Charles L.; Degalbo, Angelo; Zhu, Chen

    2008-01-01

    Experiments were conducted to explore the concept of beneficially utilizing mixtures of caustic bauxite residue slurry (pH 13) and produced oil-field brine to sequester carbon dioxide from flue gas generated from industrial point sources. Data presented herein provide a preliminary assessment of the overall feasibility of this treatment concept. The Carbonation capacity of bauxite residue/brine mixtures was considered over the full range of reactant mixture combinations in 10% increments by volume. A bauxite residue/brine mixture of 90/10 by volume exhibited a CO2 sequestration capacity of greater than 9.5 g/L when exposed to pure CO2 at 20º C and 0.689 MPa (100 psig). Dawsonite and calcite formation were predicted to be the dominant products of bauxite/brine mixture carbonation. It is demonstrated that CO2 sequestration is augmented by adding bauxite residue as a caustic agent to acidic brine solutions and that trapping is accomplished through both mineralization and solubilization. The product mixture solution was, in nearly all mixtures, neutralized following carbonation. However, in samples (bauxite residue/brine mixture of 90/10 by volume) containing bauxite residue solids, the pH was observed to gradually increase to as high as 9.7 after aging for 33 days, suggesting that the CO2 sequestration capacity of the samples increases with aging. Our geochemical models generally predicted the experimental results of carbon sequestration capacities and solution pH.

  9. Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research

    SciTech Connect (OSTI)

    Riley, R.G.; Zachara, J.M. )

    1992-04-01

    This report identifies individual contaminants and contaminant mixtures that have been measured in the ground at 91 waste sites at 18 US Department of Energy (DOE) facilities within the weapons complex. The inventory of chemicals and mixtures was used to identify generic chemical mixtures to be used by DOE's Subsurface Science Program in basic research on the subsurface geochemical and microbiological behavior of mixed contaminants (DOE 1990a and b). The generic mixtures contain specific radionuclides, metals, organic ligands, organic solvents, fuel hydrocarbons, and polychlorinated biphenyls (PCBs) in various binary and ternary combinations. The mixtures are representative of in-ground contaminant associations at DOE facilities that are likely to exhibit complex geochemical behavior as a result of intercontaminant reactions and/or microbiologic activity stimulated by organic substances. Use of the generic mixtures will focus research on important mixed contaminants that are likely to be long-term problems at DOE sites and that will require cleanup or remediation. The report provides information on the frequency of associations among different chemicals and compound classes at DOE waste sites that require remediation.

  10. Low energy consumption method for separating gaseous mixtures and in particular for medium purity oxygen production

    DOE Patents [OSTI]

    Jujasz, Albert J.; Burkhart, James A.; Greenberg, Ralph

    1988-01-01

    A method for the separation of gaseous mixtures such as air and for producing medium purity oxygen, comprising compressing the gaseous mixture in a first compressor to about 3.9-4.1 atmospheres pressure, passing said compressed gaseous mixture in heat exchange relationship with sub-ambient temperature gaseous nitrogen, dividing the cooled, pressurized gaseous mixture into first and second streams, introducing the first stream into the high pressure chamber of a double rectification column, separating the gaseous mixture in the rectification column into a liquid oxygen-enriched stream and a gaseous nitrogen stream and supplying the gaseous nitrogen stream for cooling the compressed gaseous mixture, removing the liquid oxygen-enriched stream from the low pressure chamber of the rectification column and pumping the liquid, oxygen-enriched steam to a predetermined pressure, cooling the second stream, condensing the cooled second stream and evaporating the oxygen-enriched stream in an evaporator-condenser, delivering the condensed second stream to the high pressure chamber of the rectification column, and heating the oxygen-enriched stream and blending the oxygen-enriched stream with a compressed blend-air stream to the desired oxygen concentration.

  11. Effect of silane concentration on the supersonic combustion of a silane/methane mixture

    SciTech Connect (OSTI)

    Northam, G.B.; Mc Lain, A.G.; Pellett, G.L.; Diskin, G.S.

    1986-01-01

    A series of direct connect combustor tests was conducted to determine the effect of silane concentration on the supersonic combustion characteristics of silane/methane mixtures. Shock tube ignition delay data indicated more than an order of magnitude reduction in ignition delay times for both 10 and 20 percent silane/methane mixtures as compared to methane. The ignition delay time of the 10 percent mixture was only a factor of 2.3 greater than that of the 20 percent mixture. Supersonic combustion tests were conducted with the fuel injected into a model scramjet combustor. The combustor was mounted at the exit of a Mach 2 nozzle and a hydrogen fired heater was used to provide a variation in test gas total temperature. Tests using the 20 percent silane/methane mixture indicated considerable combustion enhancement when compared to methane alone. This mixture had an autoignition total temperature of 1650 R. The addition of 20 percent silane to methane resulted in a pyrophoric fuel with good supersonic combustion performance. Reducing the silane concentration below this level, however, yielded a less pyrophoric fuel that exhibited poor supersonic combustion performance.

  12. A proposal for a UPC memory consistency model, v1.0

    SciTech Connect (OSTI)

    Yelick, Katherine; Bonachea, Dan; Wallace, Charles

    2004-05-05

    The memory consistency model in a language defines the order in which the results of write operations maybe observed through read operations. The behavior of a UPC program may depend on the timing of accesses to shared variables, so a program defines a set of possible executions, rather than a single execution. The memory consistency model constrains the set of possible executions for a given program; the user may then rely on properties that are true of all of those executions. The memory consistency model is defined in terms of the read and write operations issued by each thread in naive translation of the code, i.e., without any code transformations by the compiler, with each thread issuing operations as defined by the abstract machine defined in ISO C 5.1.2.3. A UPC compiler or run time system may perform various code transformations to improve performance, so long as they are not visible to the programmer - i.e., provided the set of externally-visible behaviors (the input/output dynamics and volatile behavior defined in ISO C 5.1.2.3) from any execution of the transformed program are identical to those of the original program executing on the abstract machine and adhering to the consistency model defined in this document.

  13. A simple way to improve path consistency processing in interval algebra networks

    SciTech Connect (OSTI)

    Bessiere, C.

    1996-12-31

    Reasoning about qualitative temporal information is essential in many artificial intelligence problems. In particular, many tasks can be solved using the interval-based temporal algebra introduced by Allen (A1183). In this framework, one of the main tasks is to compute the transitive closure of a network of relations between intervals (also called path consistency in a CSP-like terminology). Almost all previous path consistency algorithms proposed in the temporal reasoning literature were based on the constraint reasoning algorithms PC-1 and PC-2 (Mac77). In this paper, we first show that the most efficient of these algorithms is the one which stays the closest to PC-2. Afterwards, we propose a new algorithm, using the idea {open_quotes}one support is sufficient{close_quotes} (as AC-3 (Mac77) does for arc consistency in constraint networks). Actually, to apply this idea, we simply changed the way composition-intersection of relations was achieved during the path consistency process in previous algorithms.

  14. Training Reciprocity Achieves Greater Consistency, Saves Time and Money for Idaho, Other DOE Sites

    Broader source: Energy.gov [DOE]

    IDAHO FALLS, Idaho – Contracting companies supporting EM’s cleanup program at the Idaho site volunteered to be among the first to use a new DOE training reciprocity program designed to bring more consistency to health and safety training across the complex, reduce redundancy and realize savings and other efficiencies.

  15. Self-consistency tests of large-scale dynamics parameterizations for single-column modeling

    SciTech Connect (OSTI)

    Edman, Jacob P.; Romps, David M.

    2015-03-18

    Large-scale dynamics parameterizations are tested numerically in cloud-resolving simulations, including a new version of the weak-pressure-gradient approximation (WPG) introduced by Edman and Romps (2014), the weak-temperature-gradient approximation (WTG), and a prior implementation of WPG. We perform a series of self-consistency tests with each large-scale dynamics parameterization, in which we compare the result of a cloud-resolving simulation coupled to WTG or WPG with an otherwise identical simulation with prescribed large-scale convergence. In self-consistency tests based on radiative-convective equilibrium (RCE; i.e., no large-scale convergence), we find that simulations either weakly coupled or strongly coupled to either WPG or WTG are self-consistent, but WPG-coupled simulations exhibit a nonmonotonic behavior as the strength of the coupling to WPG is varied. We also perform self-consistency tests based on observed forcings from two observational campaigns: the Tropical Warm Pool International Cloud Experiment (TWP-ICE) and the ARM Southern Great Plains (SGP) Summer 1995 IOP. In these tests, we show that the new version of WPG improves upon prior versions of WPG by eliminating a potentially troublesome gravity-wave resonance.

  16. Self-consistency tests of large-scale dynamics parameterizations for single-column modeling

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Edman, Jacob P.; Romps, David M.

    2015-03-18

    Large-scale dynamics parameterizations are tested numerically in cloud-resolving simulations, including a new version of the weak-pressure-gradient approximation (WPG) introduced by Edman and Romps (2014), the weak-temperature-gradient approximation (WTG), and a prior implementation of WPG. We perform a series of self-consistency tests with each large-scale dynamics parameterization, in which we compare the result of a cloud-resolving simulation coupled to WTG or WPG with an otherwise identical simulation with prescribed large-scale convergence. In self-consistency tests based on radiative-convective equilibrium (RCE; i.e., no large-scale convergence), we find that simulations either weakly coupled or strongly coupled to either WPG or WTG are self-consistent, butmore » WPG-coupled simulations exhibit a nonmonotonic behavior as the strength of the coupling to WPG is varied. We also perform self-consistency tests based on observed forcings from two observational campaigns: the Tropical Warm Pool International Cloud Experiment (TWP-ICE) and the ARM Southern Great Plains (SGP) Summer 1995 IOP. In these tests, we show that the new version of WPG improves upon prior versions of WPG by eliminating a potentially troublesome gravity-wave resonance.« less

  17. Use of Computed X-ray Tomographic Data for Analyzing the Thermodynamics of a Dissociating Porous Sand/Hydrate Mixture

    DOE R&D Accomplishments [OSTI]

    Freifeld, Barry M.; Kneafsey, Timothy J.; Tomutsa, Liviu; Stern, Laura A.; Kirby, Stephen H.

    2002-02-28

    X-ray computed tomography (CT) is a method that has been used extensively in laboratory experiments for measuring rock properties and fluid transport behavior. More recently, CT scanning has been applied successfully to detect the presence and study the behavior of naturally occurring hydrates. In this study, we used a modified medical CT scanner to image and analyze the progression of a dissociation front in a synthetic methane hydrate/sand mixture. The sample was initially scanned under conditions at which the hydrate is stable (atmospheric pressure and liquid nitrogen temperature, 77 K). The end of the sample holder was then exposed to the ambient air, and the core was continuously scanned as dissociation occurred in response to the rising temperature. CT imaging captured the advancing dissociation front clearly and accurately. The evolved gas volume was monitored as a function of time. Measured by CT, the advancing hydrate dissociation front was modeled as a thermal conduction problem explicitly incorporating the enthalpy of dissociation, using the Stefan moving-boundary-value approach. The assumptions needed to perform the analysis consisted of temperatures at the model boundaries. The estimated value for thermal conductivity of 2.6 W/m K for the remaining water ice/sand mixture is higher than expected based on conduction alone; this high value may represent a lumped parameter that incorporates the processes of heat conduction, methane gas convection, and any kinetic effects that occur during dissociation. The technique presented here has broad implications for future laboratory and field testing that incorporates geophysical techniques to monitor gas hydrate dissociation.

  18. Self-consistent field theory based molecular dynamics with linear system-size scaling

    SciTech Connect (OSTI)

    Richters, Dorothee; Khne, Thomas D.

    2014-04-07

    We present an improved field-theoretic approach to the grand-canonical potential suitable for linear scaling molecular dynamics simulations using forces from self-consistent electronic structure calculations. It is based on an exact decomposition of the grand canonical potential for independent fermions and does neither rely on the ability to localize the orbitals nor that the Hamilton operator is well-conditioned. Hence, this scheme enables highly accurate all-electron linear scaling calculations even for metallic systems. The inherent energy drift of Born-Oppenheimer molecular dynamics simulations, arising from an incomplete convergence of the self-consistent field cycle, is circumvented by means of a properly modified Langevin equation. The predictive power of the present approach is illustrated using the example of liquid methane under extreme conditions.

  19. The consistency condition for the three-point function in dissipative single-clock inflation

    SciTech Connect (OSTI)

    Nacir, Diana López; Porto, Rafael A.; Zaldarriaga, Matias E-mail: rporto@ias.edu

    2012-09-01

    We generalize the consistency condition for the three-point function in single field inflation to the case of dissipative, multi-field, single-clock models. We use the recently introduced extension of the effective field theory of inflation that accounts for dissipative effects, to provide an explicit proof to leading (non-trivial) order in the generalized slow roll parameters and mixing with gravity scales. Our results illustrate the conditions necessary for the validity of the consistency relation in situations with many degrees of freedom relevant during inflation, namely that there is a preferred clock. Departures from this condition in forthcoming experiments would rule out not only single field but also a large class of multi-field models.

  20. Integrated fusion simulation with self-consistent core-pedestal coupling

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Meneghini, O.; Snyder, P. B.; Smith, S. P.; Candy, J.; Staebler, G. M.; Belli, E. A.; Lao, L. L.; Park, J. M.; Green, D. L.; Elwasif, W.; et al

    2016-04-20

    In this study, accurate prediction of fusion performance in present and future tokamaks requires taking into account the strong interplay between core transport, pedestal structure, current profile and plasma equilibrium. An integrated modeling workflow capable of calculating the steady-state self- consistent solution to this strongly-coupled problem has been developed. The workflow leverages state-of-the-art components for collisional and turbulent core transport, equilibrium and pedestal stability. Validation against DIII-D discharges shows that the workflow is capable of robustly pre- dicting the kinetic profiles (electron and ion temperature and electron density) from the axis to the separatrix in good agreement with the experiments.more » An example application is presented, showing self-consistent optimization for the fusion performance of the 15 MA D-T ITER baseline scenario as functions of the pedestal density and ion effective charge Zeff.« less

  1. Standardized Retrofit Packages - What Works to Meet Consistent Levels of Performance: Midwest Energy Efficiency Alliance

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Building America Webinar Series Standardized Retrofit Packages - What Works to Meet Consistent Levels of Performance: Midwest Energy Efficiency Alliance Scott Yee March 19 th , 2014 1 Midwest Energy Efficiency Alliance (MEEA) Midwest Energy Efficiency Alliance 2 MEEA is a collaborative network whose purpose is to advance energy efficiency to support sustainable economic development and environmental preservation. Partnership for Advanced Residential Retrofit (PARR) Midwest Energy Efficiency

  2. Introduction to Webinar: Standardized Retrofit Packages - What Works to Meet Consistent Levels of Performance?

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Standardized Retrofit Packages - What Works to Meet Consistent Levels of Performance? Moderator: Cheryn Metzger - National Renewable Energy Laboratory Panelists: Scott Yee - Midwest Energy Efficiency Alliance Christine Liaukus - NJIT's Center for Building Knowledge Janet McIlvaine - Florida Solar Energy Center March 19, 2014 Some Housekeeping Items Two Options for Audio (select audio mode): 1. Listen through your computer. Please select the "mic and speakers" radio button on the right

  3. Gene expression profiles in rainbow trout, Onchorynchus mykiss, exposed to a simple chemical mixture.

    SciTech Connect (OSTI)

    Hook, Sharon E.; Skillman, Ann D.; Gopalan, Banu; Small, Jack A.; Schultz, Irvin R.

    2008-03-01

    Among proposed uses for microarrays in environmental toxiciology is the identification of key contributors to toxicity within a mixture. However, it remains uncertain whether the transcriptomic profiles resulting from exposure to a mixture have patterns of altered gene expression that contain identifiable contributions from each toxicant component. We exposed isogenic rainbow trout Onchorynchus mykiss, to sublethal levels of ethynylestradiol, 2,2,4,4 tetrabromodiphenyl ether, and chromium VI or to a mixture of all three toxicants Fluorescently labeled cDNA were generated and hybridized against a commercially available Salmonid array spotted with 16,000 cDNAs. Data were analyzed using ANOVA (p < 0.05) with a Benjamani-Hochberg multiple test correction (Genespring (Agilent) software package) to identify up and down regulated genes. Gene clustering patterns that can be used as “expression signatures” were determined using hierarchical cluster analysis. The gene ontology terms associated with significantly altered genes were also used to identify functional groups that were associated with toxicant exposure. Cross-ontological analytics (XOA) approach was used to assign functional annotations to genes with "unknown" function. Our analysis indicates that transcriptomic profiles resulting from the mixture exposure resemble those of the individual contaminant exposures, but are not a simple additive list. However, patterns of altered genes representative of each component of the mixture are clearly discernible, and the functional classes of genes altered represent the individual components of the mixture. These findings indicate that the use of microarrays to identify transcriptomic profiles may aid in the identification of key stressors within a chemical mixture, ultimately improving environmental assessment.

  4. Negative running of the spectral index, hemispherical asymmetry and the consistency of Planck with large r

    SciTech Connect (OSTI)

    McDonald, John

    2014-11-01

    Planck favours a negative running of the spectral index, with the likelihood being dominated by low multipoles l?<50 and no preference for running at higher l. A negative spectral index is also necessary for the 2- Planck upper bound on the tensor-to-scalar ratio r to be consistent with values significantly larger than 0.1. Planck has also observed a hemispherical asymmetry of the CMB power spectrum, again mostly at low multipoles. Here we consider whether the physics responsible for the hemispherical asymmetry could also account for the negative running of the spectral index and the consistency of Planck with a large value of r. A negative running of the spectral index can be generated if the hemispherical asymmetry is due to a scale- and space-dependent modulation which suppresses the CMB power spectrum at low multipoles. We show that the observed hemispherical asymmetry at low l can be generated while satisfying constraints on the asymmetry at higher l and generating a negative spectral index of the right magnitude to account for the Planck observation and to allow Planck to be consistent with a large value of r.

  5. Examining the consistency relations describing the three-point functions involving tensors

    SciTech Connect (OSTI)

    Sreenath, V.; Sriramkumar, L. E-mail: sriram@physics.iitm.ac.in

    2014-10-01

    It is well known that the non-Gaussianity parameter f{sub NL} characterizing the scalar bi-spectrum can be expressed in terms of the scalar spectral index in the squeezed limit, a property that is referred to as the consistency relation. In contrast to the scalar bi-spectrum, the three-point cross-correlations involving scalars and tensors and the tensor bi-spectrum have not received adequate attention, which can be largely attributed to the fact that the tensors had remained undetected at the level of the power spectrum until very recently. The detection of the imprints of the primordial tensor perturbations by BICEP2 and its indication of a rather high tensor-to-scalar ratio, if confirmed, can open up a new window for understanding the tensor perturbations, not only at the level of the power spectrum, but also in the realm of non-Gaussianities. In this work, we consider the consistency relations associated with the three-point cross-correlations involving scalars and tensors as well as the tensor bi-spectrum in inflationary models driven by a single, canonical, scalar field. Characterizing the cross-correlations in terms of the dimensionless non-Gaussianity parameters C{sub NL}{sup R} and C{sub NL}{sup γ} that we had introduced earlier, we express the consistency relations governing the cross-correlations as relations between these non-Gaussianity parameters and the scalar or tensor spectral indices, in a fashion similar to that of the purely scalar case. We also discuss the corresponding relation for the non-Gaussianity parameter h{sub NL} used to describe the tensor bi-spectrum. We analytically establish these consistency relations explicitly in the following two situations: a simple example involving a specific case of power law inflation and a non-trivial scenario in the so-called Starobinsky model that is governed by a linear potential with a sharp change in its slope. We also numerically verify the consistency relations in three types of inflationary

  6. Construction of an embankment with a fly and bottom ash mixture: field performance study

    SciTech Connect (OSTI)

    Yoon, S.; Balunaini, U.; Yildirim, I.Z.; Prezzi, M.; Siddiki, N.Z.

    2009-06-15

    Fly ash and bottom ash are coal combustion by-products (CCBPs) that are generated in large quantities throughout the world. It is often economical to dispose ash as mixtures rather than separately; that notwithstanding, only a few studies have been performed to investigate the behavior of fly and bottom ash mixtures, particularly those with high contents of fly ash. Also, there is very limited data available in the literature on the field performance of structures constructed using ash mixtures. This paper describes the construction and the instrumentation of a demonstration embankment built with an ash mixture (60:40 by weight of fly ash:bottom ash) on State Road 641, Terre Haute, Ind. Monitoring of the demonstration embankment was conducted for a period of 1 year from the start of construction of the embankment. The settlement of the embankment stabilized approximately 5 months after the end of its construction. According to horizontal inclinometer readings, the differential settlement at the top of the embankment is about 5 mm. Results from field quality control tests performed during construction of the demonstration embankment and monitoring data from vertical and horizontal inclinometers and settlement plates indicate that the ash mixture investigated can be considered an acceptable embankment construction material.

  7. Rate of reaction of hydrogen sulfide-carbonyl sulfide mixtures with fully calcined dolomite

    SciTech Connect (OSTI)

    Kamath, V.S.; Petrie, T.W.

    1981-01-01

    Kinetic data are obtained by a gravimetric technique for rates of reaction of calcium oxide in fully calcined dolomite with hydrogen sulfide and hydrogen sulfide-carbonyl sulfide mixtures. The data are presented as values for a factor k defined by d(CAO) = -k (CAO) dt. At 600, 700, and 800 degrees C with (H/sub 2/S) from 0.5% to 5.0% by volume and (H/sub 2/S)/(COS) = 20 for mixtures, expressions for k show apparent rate constants and the dependence on sulfurous gas concentration. For example, at 700 degrees C, k = 1.43 x 10/sup -4/ (h2s) 1.06/S and k = 1.70 x 10/sup -4/ (H/sub 2/S + COS) 1.00/s. Since the date show first-order dependence on calcium oxide, k's for H/sub 2/S alone as the sulfurous gas and h2s-cos mixtures can be obtained for the same sample, free from scatter due to variations from sample to sample. Addition of values for k from runs with H/sub 2/S as the only sulfurous gas and runs with COS as the only sulfurous gas are compared to measurements with actual mixtures. K's for the mixtures are approximately 30% higher than the sum of the appropriate separate values.

  8. Transesterification of waste vegetable oil under pulse sonication using ethanol, methanol and ethanol–methanol mixtures

    SciTech Connect (OSTI)

    Martinez-Guerra, Edith; Gude, Veera Gnaneswar

    2014-12-15

    Highlights: • Pulse sonication effect on transesterification of waste vegetable oil was studied. • Effects of ethanol, methanol, and alcohol mixtures on FAMEs yield were evaluated. • Effect of ultrasonic intensity, power density, and its output rates were evaluated. • Alcohol mixtures resulted in higher biodiesel yields due to better solubility. - Abstract: This study reports on the effects of direct pulse sonication and the type of alcohol (methanol and ethanol) on the transesterification reaction of waste vegetable oil without any external heating or mechanical mixing. Biodiesel yields and optimum process conditions for the transesterification reaction involving ethanol, methanol, and ethanol–methanol mixtures were evaluated. The effects of ultrasonic power densities (by varying sample volumes), power output rates (in W), and ultrasonic intensities (by varying the reactor size) were studied for transesterification reaction with ethanol, methanol and ethanol–methanol (50%-50%) mixtures. The optimum process conditions for ethanol or methanol based transesterification reaction of waste vegetable oil were determined as: 9:1 alcohol to oil ratio, 1% wt. catalyst amount, 1–2 min reaction time at a power output rate between 75 and 150 W. It was shown that the transesterification reactions using ethanol–methanol mixtures resulted in biodiesel yields as high as >99% at lower power density and ultrasound intensity when compared to ethanol or methanol based transesterification reactions.

  9. High-temperature oxidation of Zircaloy in hydrogen-steam mixtures. [PWR; BWR

    SciTech Connect (OSTI)

    Chung, H.M.; Thomas, G.R.

    1982-09-01

    Oxidation rates of Zircaloy-4 cladding tubes have been measured in hydrogen-steam mixtures at 1200 to 1700/sup 0/C. For a given isothermal oxidation temperature, the oxide layer thicknesses have been measured as a function of time, steam supply rate, and hydrogen overpressure. The oxidation rates in the mixtures were compared with similar data obtained in pure steam and helium-steam environments under otherwise identical conditions. The rates in pure steam and helium-steam mixtures were equivalent and comparable to the parabolic rates obtained under steam-saturated conditions and reported in the literature. However, when the helium was replaced with hydrogen of equivalent partial pressure, a significantly smaller oxidation rate was observed. For high steam-supply rates, the oxidation kinetics in a hydrogen-steam mixture were parabolic, but the rate was smaller than for pure steam or helium-steam mixtures. Under otherwise identical conditions, the ratio of the parabolic rate for hydrogen-steam to that for pure steam decreased with increasing temperature and decreasing steam-supply rate.

  10. Instantaneous spatially local projective measurements are consistent in a relativistic quantum field

    SciTech Connect (OSTI)

    Lin, Shih-Yuin

    2012-12-15

    Suppose the postulate of measurement in quantum mechanics can be extended to quantum field theory; then a local projective measurement at some moment on an object locally coupled with a relativistic quantum field will result in a projection or collapse of the wavefunctional of the combined system defined on the whole time-slice associated with the very moment of the measurement, if the relevant degrees of freedom have nonzero correlations. This implies that the wavefunctionals in the same Hamiltonian system but defined in different reference frames would collapse on different time-slices passing through the same local event where the measurement was done. Are these post-measurement states consistent with each other? We illustrate that the quantum states of the Raine-Sciama-Grove detector-field system started with the same initial Gaussian state defined on the same initial time-slice, then collapsed by the measurements on the pointlike detectors on different time-slices in different frames, will evolve to the same state of the combined system up to a coordinate transformation when compared on the same final time-slice. Such consistency is guaranteed by the spatial locality of interactions and the general covariance in a relativistic system, together with the spatial locality of measurements and the linearity of quantum dynamics in its quantum theory. - Highlights: Black-Right-Pointing-Pointer Spatially local quantum measurements in detector-field models are studied. Black-Right-Pointing-Pointer Local quantum measurement collapses the wavefunctional on the whole time-slice. Black-Right-Pointing-Pointer In different frames wavefunctionals of a field would collapse on different time-slices. Black-Right-Pointing-Pointer States collapsed by the same measurement will be consistent on the same final slice.

  11. Properties of hadronic systems according to the non-extensive self-consistent thermodynamics

    SciTech Connect (OSTI)

    Deppman, A.

    2014-11-11

    The non-extensive self-consistent theory describing the thermodynamics of hadronic systems at high temperatures is used to derive some thermodynamical quantities, as pressure, entropy, speed of sound and trace-anomaly. The calculations are free of fitting parameters, and the results are compared to lattice QCD calculations, showing a good agreement between theory and data up to temperatures around 175 MeV. Above this temperature the effects of a singularity in the partition function at T{sub o} = 192 MeV results in a divergent behaviour in respect with the lattice calculation.

  12. Synchronization in node of complex networks consist of complex chaotic system

    SciTech Connect (OSTI)

    Wei, Qiang, E-mail: qiangweibeihua@163.com [Beihua University computer and technology College, BeiHua University, Jilin, 132021, Jilin (China); Digital Images Processing Institute of Beihua University, BeiHua University, Jilin, 132011, Jilin (China); Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China); Xie, Cheng-jun [Beihua University computer and technology College, BeiHua University, Jilin, 132021, Jilin (China); Digital Images Processing Institute of Beihua University, BeiHua University, Jilin, 132011, Jilin (China); Liu, Hong-jun [School of Information Engineering, Weifang Vocational College, Weifang, 261041 (China); Li, Yan-hui [The Library, Weifang Vocational College, Weifang, 261041 (China)

    2014-07-15

    A new synchronization method is investigated for node of complex networks consists of complex chaotic system. When complex networks realize synchronization, different component of complex state variable synchronize up to different scaling complex function by a designed complex feedback controller. This paper change synchronization scaling function from real field to complex field for synchronization in node of complex networks with complex chaotic system. Synchronization in constant delay and time-varying coupling delay complex networks are investigated, respectively. Numerical simulations are provided to show the effectiveness of the proposed method.

  13. Alfven-wave particle interaction in finite-dimensional self-consistent field model

    SciTech Connect (OSTI)

    Padhye, N.; Horton, W.

    1998-10-09

    A low-dimensional Hamiltonian model is derived for the acceleration of ions in finite amplitude Alfven waves in a finite pressure plasma sheet. The reduced low-dimensional wave-particle Hamiltonian is useful for describing the reaction of the accelerated ions on the wave amplitudes and phases through the self-consistent fields within the envelope approximation. As an example, the authors show for a single Alfven wave in the central plasma sheet of the Earth`s geotail, modeled by the linear pinch geometry called the Harris sheet, the time variation of the wave amplitude during the acceleration of fast protons.

  14. Some exploitations of the self-consistent QRPA approach with the Gogny force

    SciTech Connect (OSTI)

    Peru, S.; Martini, M.; Dupuis, M.

    2012-10-20

    Fully consistent axially-symmetric-deformed quasiparticle random phase approximation calculations have been performed with the D1S Gogny force. Giant resonances in exotic nuclei as well as in deformed Mg and Si isotopes have been studied. Dipole responses have been calculated in Ne isotopes and N=16 isotones to study the existence of soft dipole modes in exotic nuclei. The same formalism has been used to describe multipole responses up to octupole in the deformed and heavy nucleus {sup 238}U. Low energy spectroscopy of nickel isotopes has been studied, revealing 0{sup +} states which display a particular structure.

  15. Complete active space self-consistent field calculations of the vibrational band strengths for C3

    SciTech Connect (OSTI)

    Jorgensen, U.G.; Almlof, J.; Siegbahn, P.E.M.; Minnesota Univ., Minneapolis; Stockholm Universitet )

    1989-08-01

    Complete active space self-consistent calculations of the energy and dipole moment functions were carried out for C3 in its electronic ground state. The absorption coefficient between 0.7 and 75 microns is calculated on the basis of the vibrational band strength of transitions between the 800 lowest states with v less than or equal to (4, 39, 3). In cool carbon stars with a high C/O ratio, C3 is found to be the most prevalent of the known opacity sources. 49 refs.

  16. Significantly Shorter Fe-S Bond in Cytochrome P450-I is Consistent with

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Greater Reactivity Relative to Chloroperoxidase | Stanford Synchrotron Radiation Lightsource Significantly Shorter Fe-S Bond in Cytochrome P450-I is Consistent with Greater Reactivity Relative to Chloroperoxidase Monday, August 31, 2015 C-H bond activation is often considered the "holy grail" of inorganic chemists, as the ability to specifically activate C-H bonds would be one of the most used transformations in all of chemistry. Cytochrome P450s (P450s) are thiolate ligated heme

  17. Multiple Fano interferences in a plasmonic metamolecule consisting of asymmetric metallic nanodimers

    SciTech Connect (OSTI)

    Le, Khai Q.; Alù, Andrea; Bai, Jing

    2015-01-14

    We theoretically explore signatures of plasmonic Fano interferences in a subwavelength plasmonic metamolecule consisting of closely packed asymmetric gold nanodimers, which lead to the possibility of generating multiple Fano resonances in the scattering spectrum. This spectral feature is attributed to the interference between bright and dark plasmonic modes sustained by the constituent nanodimers. The excited Fano dips are highly sensitive in both wavelength and amplitude to geometry and background dielectric medium. The tunability of induced Fano resonances associated with enhanced electric fields from the visible to infrared region provides promising applications, particularly in refractive index sensing, light-trapping, and photon up-converting.

  18. Third Minima in Thorium and Uranium Isotopes in a Self-Consistent Theory

    SciTech Connect (OSTI)

    McDonnell, J. D.

    2013-01-01

    Background: Well-developed third minima, corresponding to strongly elongated and reflection-asymmetric shapes associated with dimolecular configurations, have been predicted in some non-self-consistent models to impact fission pathways of thorium and uranium isotopes. These predictions have guided the interpretation of resonances seen experimentally. On the other hand, self-consistent calculations consistently predict very shallow potential-energy surfaces in the third minimum region.

    Purpose: We investigate the interpretation of third-minimum configurations in terms of dimolecular (cluster) states. We study the isentropic potential-energy surfaces of selected even-even thorium and uranium isotopes at several excitation energies. In order to understand the driving effects behind the presence of third minima, we study the interplay between pairing and shell effects.

    Methods: We use the finite-temperature superfluid nuclear density functional theory. We consider two Skyrme energy density functionals: a traditional functional SkM and a recent functional UNEDF1 optimized for fission studies.

    Results: We predict very shallow or no third minima in the potential-energy surfaces of 232Th and 232U. In the lighter Th and U isotopes with N = 136 and 138, the third minima are better developed. We show that the reflection-asymmetric configurations around the third minimum can be associated with dimolecular states involving the spherical doubly magic 132Sn and a lighter deformed Zr or Mo fragment. The potential-energy surfaces for 228,232Th and 232U at several excitation energies are presented. We also study isotopic chains to demonstrate the evolution of the depth of the third minimum with neutron number.

    Conclusions: We show that the neutron shell effect that governs the existence of the dimolecular states around the third minimum is consistent with the spherical-to-deformed shape transition in the Zr andMo isotopes around N = 58.We demonstrate that the depth of

  19. Device for measuring the fluid density of a two-phase mixture

    DOE Patents [OSTI]

    Cole, Jack H.

    1980-01-01

    A device for measuring the fluid density of a two-phase mixture flowing through a tubular member. A rotor assembly is rotatively supported within the tubular member so that it can also move axially within the tubular member. The rotor assembly is balanced against a pair of springs which exert an axial force in the opposite direction upon the rotor assembly. As a two-phase mixture flows through the tubular member it contacts the rotor assembly causing it to rotate about its axis. The rotor assembly is forced against and partially compresses the springs. Means are provided to measure the rotational speed of the rotor assembly and the linear displacement of the rotor assembly. From these measurements the fluid density of the two-phase mixture is calculated.

  20. Apparatus and method for operating internal combustion engines from variable mixtures of gaseous fuels

    DOE Patents [OSTI]

    Heffel, James W.; Scott, Paul B.; Park, Chan Seung

    2011-11-01

    An apparatus and method for utilizing any arbitrary mixture ratio of multiple fuel gases having differing combustion characteristics, such as natural gas and hydrogen gas, within an internal combustion engine. The gaseous fuel composition ratio is first sensed, such as by thermal conductivity, infrared signature, sound propagation speed, or equivalent mixture differentiation mechanisms and combinations thereof which are utilized as input(s) to a "multiple map" engine control module which modulates selected operating parameters of the engine, such as fuel injection and ignition timing, in response to the proportions of fuel gases available so that the engine operates correctly and at high efficiency irrespective of the gas mixture ratio being utilized. As a result, an engine configured according to the teachings of the present invention may be fueled from at least two different fuel sources without admixing constraints.

  1. Laboratory flammability studies of mixtures of hydrogen, nitrous oxide, and air

    SciTech Connect (OSTI)

    Cashdollar, K L; Hertzberg, M; Zlochower, I A; Lucci, C E; Green, G M; Thomas, R A

    1992-06-26

    At the request of the Department of Energy and the Westinghouse Hanford Company, the Bureau of Mines has investigated the flammability of mixtures of hydrogen, nitrous oxide, and air. This work is relevant to the possible hazards of flammable gas generation from nuclear waste tanks at Hanford, WA. The tests were performed in a 120-L spherical chamber under both quiescent and turbulent conditions using both electric spark and pyrotechnic ignition sources. The data reported here for binary mixtures of hydrogen in air generally confirm the data of previous investigators, but they are more comprehensive than those reported previously. The results clarify to a greater extent the complications associated with buoyancy, turbulence, and selective diffusion. The data reported here for ternary mixtures of hydrogen and nitrous oxide in air indicate that small additions of nitrous oxide (relative to the amount of air) have little effect, but that higher concentrations of nitrous oxide (relative to air) significantly increase the explosion hazard.

  2. Apparatus and method for operating internal combustion engines from variable mixtures of gaseous fuels

    DOE Patents [OSTI]

    Heffel, James W.; Scott, Paul B.

    2003-09-02

    An apparatus and method for utilizing any arbitrary mixture ratio of multiple fuel gases having differing combustion characteristics, such as natural gas and hydrogen gas, within an internal combustion engine. The gaseous fuel composition ratio is first sensed, such as by thermal conductivity, infrared signature, sound propagation speed, or equivalent mixture differentiation mechanisms and combinations thereof which are utilized as input(s) to a "multiple map" engine control module which modulates selected operating parameters of the engine, such as fuel injection and ignition timing, in response to the proportions of fuel gases available so that the engine operates correctly and at high efficiency irrespective of the gas mixture ratio being utilized. As a result, an engine configured according to the teachings of the present invention may be fueled from at least two different fuel sources without admixing constraints.

  3. Geotechnical properties of fly and bottom ash mixtures for use in highway embankments

    SciTech Connect (OSTI)

    Kim, B.; Prezzi, M.; Salgado, R.

    2005-07-01

    Class F fly ash and bottom ash are the solid residue byproducts produced by coal-burning electric utilities. They are usually disposed of together as a waste in utility disposal sites with a typical disposal rate of 80% fly ash and 20% bottom ash. Direct use of these materials in construction projects consuming large volumes of materials, such as highway embankment construction, not only provides a promising solution to the disposal problem, but also an economic alternative to the use of traditional materials. Representative samples of class F fly and bottom ash were collected from two utility power plants in Indiana and tested for their mechanical properties (compaction, permeability, strength, stiffness, and compressibility). Three mixtures of fly and bottom ash with different mixture ratios (i.e., 50, 75, and 100% fly ash content by weight) were prepared for testing. Test results indicated that ash mixtures compare favorably with conventional granular materials.

  4. How important is self-consistency for the dDsC density dependent dispersion correction?

    SciTech Connect (OSTI)

    Brémond, Éric; Corminboeuf, Clémence; Golubev, Nikolay; Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow 119991 ; Steinmann, Stephan N.

    2014-05-14

    The treatment of dispersion interactions is ubiquitous but computationally demanding for seamless ab initio approaches. A highly popular and simple remedy consists in correcting for the missing interactions a posteriori by adding an attractive energy term summed over all atom pairs to standard density functional approximations. These corrections were originally based on atom pairwise parameters and, hence, had a strong touch of empiricism. To overcome such limitations, we recently proposed a robust system-dependent dispersion correction, dDsC, that is computed from the electron density and that provides a balanced description of both weak inter- and intramolecular interactions. From the theoretical point of view and for the sake of increasing reliability, we here verify if the self-consistent implementation of dDsC impacts ground-state properties such as interaction energies, electron density, dipole moments, geometries, and harmonic frequencies. In addition, we investigate the suitability of the a posteriori scheme for molecular dynamics simulations, for which the analysis of the energy conservation constitutes a challenging tests. Our study demonstrates that the post-SCF approach in an excellent approximation.

  5. Self-consistent theory of nanodomain formation on non-polar surfaces of ferroelectrics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Morozovska, Anna N.; Obukhovskii, Vyacheslav; Fomichov, Evhen; Varenyk, O. V.; Shur, Vladimir Ya.; Kalinin, Sergei V.; Eliseev, E. A.

    2016-04-28

    We propose a self-consistent theoretical approach capable of describing the features of the anisotropic nanodomain formation induced by a strongly inhomogeneous electric field of a charged scanning probe microscopy tip on nonpolar cuts of ferroelectrics. We obtained that a threshold field, previously regarded as an isotropic parameter, is an anisotropic function that is specified from the polar properties and lattice pinning anisotropy of a given ferroelectric in a self-consistent way. The proposed method for the calculation of the anisotropic threshold field is not material specific, thus the field should be anisotropic in all ferroelectrics with the spontaneous polarization anisotropy alongmore » the main crystallographic directions. The most evident examples are uniaxial ferroelectrics, layered ferroelectric perovskites, and low-symmetry incommensurate ferroelectrics. Obtained results quantitatively describe the differences at several times in the nanodomain length experimentally observed on X and Y cuts of LiNbO3 and can give insight into the anisotropic dynamics of nanoscale polarization reversal in strongly inhomogeneous electric fields.« less

  6. Fractional charge and spin errors in self-consistent Greens function theory

    SciTech Connect (OSTI)

    Phillips, Jordan J. Kananenka, Alexei A.; Zgid, Dominika

    2015-05-21

    We examine fractional charge and spin errors in self-consistent Greens function theory within a second-order approximation (GF2). For GF2, it is known that the summation of diagrams resulting from the self-consistent solution of the Dyson equation removes the divergences pathological to second-order Mller-Plesset (MP2) theory for strong correlations. In the language often used in density functional theory contexts, this means GF2 has a greatly reduced fractional spin error relative to MP2. The natural question then is what effect, if any, does the Dyson summation have on the fractional charge error in GF2? To this end, we generalize our previous implementation of GF2 to open-shell systems and analyze its fractional spin and charge errors. We find that like MP2, GF2 possesses only a very small fractional charge error, and consequently minimal many electron self-interaction error. This shows that GF2 improves on the critical failings of MP2, but without altering the positive features that make it desirable. Furthermore, we find that GF2 has both less fractional charge and fractional spin errors than typical hybrid density functionals as well as random phase approximation with exchange.

  7. Radio-frequency sheaths physics: Experimental characterization on Tore Supra and related self-consistent modeling

    SciTech Connect (OSTI)

    Jacquot, Jonathan; Colas, Laurent Corre, Yann; Goniche, Marc; Gunn, Jamie; Kubič, Martin; Milanesio, Daniele; Heuraux, Stéphane

    2014-06-15

    During the 2011 experimental campaign, one of the three ion cyclotron resonance heating (ICRH) antennas in the Tore Supra tokamak was equipped with a new type of Faraday screen (FS). The new design aimed at minimizing the integrated parallel electric field over long field lines as well as increasing the heat exhaust capability of the actively cooled screen. It proved to be inefficient for attenuating the radio-frequency (RF)-sheaths on the screen itself on the contrary to the heat exhaust concept that allowed operation despite higher heat fluxes on the antenna. In parallel, a new approach has been proposed to model self-consistently RF sheaths: the SSWICH (Self-consistent Sheaths and Waves for IC Heating) code. Simulations results from SSWICH coupled with the TOPICA antenna code were able to reproduce the difference between the two FS designs and part of the spatial pattern of heat loads and Langmuir probe floating potential. The poloidal pattern is a reliable result that mainly depends on the electrical design of the antenna while the radial pattern is on the contrary highly sensitive to loosely constrained parameters such as perpendicular conductivity that generates a DC current circulation from the private region inside the antenna limiters to the free scrape off layer outside these limiters. Moreover, the cantilevered bars seem to be the element in the screen design that enhanced the plasma potential.

  8. Road Map for Studies to Produce Consistent and High Performance SRF Accelerator Structures

    SciTech Connect (OSTI)

    Ganapati Rao Myneni; John F. OHanlon

    2007-06-20

    Superconducting Radio Frequency (SRF) accelerator structures made from high purity niobium are becoming the technological choice for a large number of future accelerators and energy recovery LINACs (ERL). Most of the presently planned accelerators and ERL requirements will be met with some effort by the current SRF technology where accelerating gradients of about 20 MV/m can be produced on a routine basis with an acceptable yield. However, the XFEL at DESY and the planned ILC require acceleration gradients more than 28 MV/m and 35 MV/m respectively. At the recent ILC meeting at Snowmass (2005) concern was expressed regarding the wide spread in the achieved accelerator gradients and the relatively low yields. For obtaining accelerating gradients of 35 MV/m in SRF accelerator structures consistently, a deeper understanding of the causes for the spread has to be gained and advances have to be made in many scientific and high technology fields, including materials, surface and vacuum sciences, application of reliable processes and procedures, which provide contamination free surfaces and avoid recontamination and cryogenics related technologies. In this contribution a road map for studies needed to produce consistent and high performance SRF accelerator structures from the needed materials development to clean and non-recontaminating processes and procedures will be presented.

  9. Status and Opportunities for Improving the Consistency of Technical Reference Manuals

    SciTech Connect (OSTI)

    Jayaweera, Tina; Velonis, Aquila; Haeri, Hossein; Goldman, Charles A.; Schiller, Steven R.

    2012-05-01

    Across the United States, energy-efficiency program administrators rely on Technical Reference Manuals (TRMs) as sources for calculations and deemed savings values for specific, well-defined efficiency measures. TRMs play an important part in energy efficiency program planning by providing a common and consistent source for calculation of ex ante and often ex post savings. They thus help reduce energy-efficiency resource acquisition costs by obviating the need for extensive measurement and verification and lower performance risk for program administrators and implementation contractors. This paper considers the benefits of establishing region-wide or national TRMs and considers the challenges of such undertaking due to the difficulties in comparing energy savings across jurisdictions. We argue that greater consistency across TRMs in the approaches used to determine deemed savings values, with more transparency about assumptions, would allow better comparisons in savings estimates across jurisdictions as well as improve confidence in reported efficiency measure savings. To support this thesis, we review approaches for the calculation of savings for select measures in TRMs currently in use in 17 jurisdictions. The review reveals differences in the saving methodologies, technical assumptions, and input variables used for estimating deemed savings values. These differences are described and their implications are summarized, using four, common energy-efficiency measures as examples. Recommendations are then offered for establishing a uniform approach for determining deemed savings values.

  10. Neutrinos and dark energy after Planck and BICEP2: data consistency tests and cosmological parameter constraints

    SciTech Connect (OSTI)

    Zhang, Jing-Fei; Geng, Jia-Jia; Zhang, Xin E-mail: gengjiajia163@163.com

    2014-10-01

    The detection of the B-mode polarization of the cosmic microwave background (CMB) by the BICEP2 experiment implies that the tensor-to-scalar ratio r should be involved in the base standard cosmology. In this paper, we extend the ΛCDM r+neutrino/dark radiation models by replacing the cosmological constant with the dynamical dark energy with constant w. Four neutrino plus dark energy models are considered, i.e., the wCDM r ∑ m{sub ν}, wCDM r N{sub eff}, wCDM r ∑ m{sub ν} N{sub eff}, and wCDM r N{sub eff} m{sub ν,sterile}{sup eff} models. The current observational data considered in this paper include the Planck temperature data, the WMAP 9-year polarization data, the baryon acoustic oscillation data, the Hubble constant direct measurement data, the Planck Sunyaev-Zeldovich cluster counts data, the Planck CMB lensing data, the cosmic shear data, and the BICEP2 polarization data. We test the data consistency in the four cosmological models, and then combine the consistent data sets to perform joint constraints on the models. We focus on the constraints on the parameters w, ∑ m{sub ν}, N{sub eff}, and m{sub ν,sterile}{sup eff}.

  11. A Thermodynamically-Consistent Non-Ideal Stochastic Hard-Sphere Fluid

    SciTech Connect (OSTI)

    Donev, A; Alder, B J; Garcia, A L

    2009-08-03

    A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating collision-dominated dense fluid flows. The I-DSMC algorithm eliminates all grid artifacts from the traditional DSMC algorithm and is Galilean invariant and microscopically isotropic. The stochastic collision rules in I-DSMC are modified to introduce a non-ideal structure factor that gives consistent compressibility, as first proposed in [Phys. Rev. Lett. 101:075902 (2008)]. The resulting Stochastic Hard Sphere Dynamics (SHSD) fluid is empirically shown to be thermodynamically identical to a deterministic Hamiltonian system of penetrable spheres interacting with a linear core pair potential, well-described by the hypernetted chain (HNC) approximation. We develop a kinetic theory for the SHSD fluid to obtain estimates for the transport coefficients that are in excellent agreement with particle simulations over a wide range of densities and collision rates. The fluctuating hydrodynamic behavior of the SHSD fluid is verified by comparing its dynamic structure factor against theory based on the Landau-Lifshitz Navier-Stokes equations. We also study the Brownian motion of a nano-particle suspended in an SHSD fluid and find a long-time power-law tail in its velocity autocorrelation function consistent with hydrodynamic theory and molecular dynamics calculations.

  12. An on-line acoustic fluorocarbon coolant mixture analyzer for the ATLAS silicon tracker

    SciTech Connect (OSTI)

    Bates, R.; Battistin, M.; Berry, S.; Bitadze, A.; Bonneau, P.; Bousson, N.; Boyd, G.; Botelho-Direito, J.; DiGirolamo, B.; Doubek, M.; Egorov, K.; Godlewski, J.; Hallewell, G.; Katunin, S.; Mathieu, M.; McMahon, S.; Nagai, K.; Perez-Rodriguez, E.; Rozanov, A.; Vacek, V.; Vitek, M.

    2011-07-01

    The ATLAS silicon tracker community foresees an upgrade from the present octafluoro-propane (C{sub 3}F{sub 8}) evaporative cooling fluid - to a composite fluid with a probable 10-20% admixture of hexafluoro-ethane (C{sub 2}F{sub 6}). Such a fluid will allow a lower evaporation temperature and will afford the tracker silicon substrates a better safety margin against leakage current-induced thermal runaway caused by cumulative radiation damage as the luminosity profile at the CERN Large Hadron Collider increases. Central to the use of this new fluid is a new custom-developed speed-of-sound instrument for continuous real-time measurement of the C{sub 3}F{sub 8}/C{sub 2}F{sub 6} mixture ratio and flow. An acoustic vapour mixture analyzer/flow meter with new custom electronics allowing ultrasonic frequency transmission through gas mixtures has been developed for this application. Synchronous with the emission of an ultrasound 'chirp' from an acoustic transmitter, a fast readout clock (40 MHz) is started. The clock is stopped on receipt of an above threshold sound pulse at the receiver. Sound is alternately transmitted parallel and anti-parallel with the vapour flow for volume flow measurement from transducers that can serve as acoustic transmitters or receivers. In the development version, continuous real-time measurement of C{sub 3}F{sub 8}/C{sub 2}F{sub 6} flow and calculation of the mixture ratio is performed within a graphical user interface developed in PVSS-II, the Supervisory, Control and Data Acquisition standard chosen for LHC and its experiments at CERN. The described instrument has numerous potential applications - including refrigerant leak detection, the analysis of hydrocarbons, vapour mixtures for semiconductor manufacture and anesthetic gas mixtures. (authors)

  13. Selective Adsorption of CO2 from Light Gas Mixtures Using a Structurally Dynamic Porous Coordination Polymer**

    SciTech Connect (OSTI)

    Kristi L. Kauffman, Jeffrey T. Culp, Andrew J. Allen, Laura Espinal, Winnie Wong-Ng, Thomas D. Brown, Angela Goodman, Mark P. Bernardo, Russel J. Pancoast, Danielle Chirdon, Christopher Matranga*

    2010-01-01

    The selective adsorption of CO{sub 2} from mixtures with N{sub 2}, CH{sub 4}, and N{sub 2}O in a dynamic porous coordination polymer (see monomer structure) was evaluated by ATR-FTIR spectroscopy, GC, and SANS. All three techniques indicate highly selective adsorption of CO{sub 2} from CO{sub 2}/CH{sub 4} and CO{sub 2}/N{sub 2} mixtures at 30 C, with no selectivity observed for the CO{sub 2}/N{sub 2}O system.

  14. In-pore exchange and diffusion of carbonate solvent mixtures in nanoporous carbon

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Alam, Todd M.; Osborn Popp, Thomas M.

    2016-06-04

    High resolution magic angle spinning (HRMAS) 1H NMR spectroscopy has been used to resolve different surface and in-pore solvent environments of ethylene carbonate (EC) and dimethyl carbonate (DMC) mixtures absorbed within nanoporous carbon (NPC). Two dimensional (2D) 1H HRMAS NMR exchange measurements revealed that the inhomogeneous broadened in-pore resonances have pore-to-pore exchange rates on the millisecond timescale. Pulsed-field gradient (PFG) NMR diffusometry revealed the in-pore self-diffusion constants for both EC and DMC were reduced by up to a factor of five with respect to the diffusion in the non-absorbed solvent mixtures.

  15. Mixture for producing fracture-resistant, fiber-reinforced ceramic material by microwave heating

    DOE Patents [OSTI]

    Meek, T.T.; Blake, R.D.

    1987-09-22

    A fracture-resistant, fiber-reinforced ceramic substrate is produced by a method which involves preparing a ceramic precursor mixture comprising glass material, a coupling agent, and resilient fibers, and then exposing the mixture to microwave energy. The microwave field orients the fibers in the resulting ceramic material in a desired pattern wherein heat later generated in or on the substrate can be dissipated in a desired geometric pattern parallel to the fiber pattern. Additionally, the shunt capacitance of the fracture-resistant, fiber-reinforced ceramic substrate is lower which provides for a quicker transit time for electronic pulses in any conducting pathway etched into the ceramic substrate. 2 figs.

  16. Selective removal of carbonyl sulfide from a hydrogen sulfide containing gas mixture

    SciTech Connect (OSTI)

    Souby, M.C.

    1990-12-25

    This patent describes a process for the selective removal of carbonyl sulfide from a gas mixture also comprising hydrogen sulfide. It comprises contacting the gas mixture with an absorbent comprising from about 35% w to about 55% w of a tertiary amine; from about 5% w to about 15% w of water, and the balance being a physical co-solvent; regenerating the loaded absorbent to remove substantially all of the carbonyl sulfide and most of the hydrogen sulfide to provide a lean absorbent containing hydrogen sulfide in an amount of 0.2% w to 2% w; and recycling the lean absorbent to the contacting step.

  17. Study of a water-to-water heat pump using hydrocarbon and hydrofluorocarbon zeotropic mixtures

    SciTech Connect (OSTI)

    Payne, W.V.; Domanski, P.A.; Muller, J.

    1999-05-01

    This investigation compared the performance of R22 to the performance of propane (R290) and zeotropic mixtures of HFC's and hydrocarbons in a water-to-water heat pump. Baseline testing began with R22 and proceeded to R290, R32/290, R32/152a, and R290/600a. The use of brazed plate heat exchangers arranged in counterflow for both heating and cooling allowed glide matching using the zeotropic refrigerant mixtures. The performance of the system was characterized by air-side capacity, air-side Coefficient of Performance (COP), compressor RPM, and refrigerant conditions.

  18. Mixture for producing fracture-resistant, fiber-reinforced ceramic material by microwave heating

    DOE Patents [OSTI]

    Meek, T.T.; Blake, R.D.

    1985-04-03

    A fracture-resistant, fiber-reinforced ceramic substrate is produced by a method which involves preparing a ceramic precursor mixture comprising glass material, a coupling agent, and resilient fibers, and then exposing the mixture to microwave energy. The microwave field orients the fibers in the resulting ceramic material in a desired pattern wherein heat later generated in or on the substrate can be dissipated in a desired geometric pattern parallel to the fiber pattern. Additionally, the shunt capacitance of the fracture-resistant, fiber-reinforced ceramic substrate is lower which provides for a quicker transit time for electronic pulses in any conducting pathway etched into the ceramic substrate.

  19. Mixture for producing fracture-resistant, fiber-reinforced ceramic material by microwave heating

    DOE Patents [OSTI]

    Meek, Thomas T.; Blake, Rodger D.

    1987-01-01

    A fracture-resistant, fiber-reinforced ceramic substrate is produced by a method which involves preparing a ceramic precursor mixture comprising glass material, a coupling agent, and resilient fibers, and then exposing the mixture to microwave energy. The microwave field orients the fibers in the resulting ceramic material in a desired pattern wherein heat later generated in or on the substrate can be dissipated in a desired geometric pattern parallel to the fiber pattern. Additionally, the shunt capacitance of the fracture-resistant, fiber-reinforced ceramic substrate is lower which provides for a quicker transit time for electronic pulses in any conducting pathway etched into the ceramic substrate.

  20. Self-consistent inclusion of classical large-angle Coulomb collisions in plasma Monte Carlo simulations

    SciTech Connect (OSTI)

    Turrell, A.E. Sherlock, M.; Rose, S.J.

    2015-10-15

    Large-angle Coulomb collisions allow for the exchange of a significant proportion of the energy of a particle in a single collision, but are not included in models of plasmas based on fluids, the Vlasov–Fokker–Planck equation, or currently available plasma Monte Carlo techniques. Their unique effects include the creation of fast ‘knock-on’ ions, which may be more likely to undergo certain reactions, and distortions to ion distribution functions relative to what is predicted by small-angle collision only theories. We present a computational method which uses Monte Carlo techniques to include the effects of large-angle Coulomb collisions in plasmas and which self-consistently evolves distribution functions according to the creation of knock-on ions of any generation. The method is used to demonstrate ion distribution function distortions in an inertial confinement fusion (ICF) relevant scenario of the slowing of fusion products.

  1. Self-consistent simulation of CdTe solar cells with active defects

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Brinkman, Daniel; Guo, Da; Akis, Richard; Ringhofer, Christian; Sankin, Igor; Fang, Tian; Vasileska, Dragica

    2015-07-21

    We demonstrate a self-consistent numerical scheme for simulating an electronic device which contains active defects. As a specific case, we consider copper defects in cadmium telluride solar cells. The presence of copper has been shown experimentally to play a crucial role in predicting device performance. The primary source of this copper is migration away from the back contact during annealing, which likely occurs predominantly along grain boundaries. We introduce a mathematical scheme for simulating this effect in 2D and explain the numerical implementation of the system. Lastly, we will give numerical results comparing our results to known 1D simulations tomore » demonstrate the accuracy of the solver and then show results unique to the 2D case.« less

  2. Method for using global optimization to the estimation of surface-consistent residual statics

    DOE Patents [OSTI]

    Reister, David B.; Barhen, Jacob; Oblow, Edward M.

    2001-01-01

    An efficient method for generating residual statics corrections to compensate for surface-consistent static time shifts in stacked seismic traces. The method includes a step of framing the residual static corrections as a global optimization problem in a parameter space. The method also includes decoupling the global optimization problem involving all seismic traces into several one-dimensional problems. The method further utilizes a Stochastic Pijavskij Tunneling search to eliminate regions in the parameter space where a global minimum is unlikely to exist so that the global minimum may be quickly discovered. The method finds the residual statics corrections by maximizing the total stack power. The stack power is a measure of seismic energy transferred from energy sources to receivers.

  3. Physically consistent simulation of mesoscale chemical kinetics: The non-negative FIS-{alpha} method

    SciTech Connect (OSTI)

    Dana, Saswati, E-mail: saswatid@rishi.serc.iisc.ernet.in [Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012 (India); Raha, Soumyendu, E-mail: raha@serc.iisc.ernet.in [Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012 (India)

    2011-10-01

    Biochemical pathways involving chemical kinetics in medium concentrations (i.e., at mesoscale) of the reacting molecules can be approximated as chemical Langevin equations (CLE) systems. We address the physically consistent non-negative simulation of the CLE sample paths as well as the issue of non-Lipschitz diffusion coefficients when a species approaches depletion and any stiffness due to faster reactions. The non-negative Fully Implicit Stochastic {alpha} (FIS {alpha}) method in which stopped reaction channels due to depleted reactants are deleted until a reactant concentration rises again, for non-negativity preservation and in which a positive definite Jacobian is maintained to deal with possible stiffness, is proposed and analysed. The method is illustrated with the computation of active Protein Kinase C response in the Protein Kinase C pathway.

  4. Non-perturbative and self-consistent models of neutron stars in R-squared gravity

    SciTech Connect (OSTI)

    Yazadjiev, Stoytcho S.; Doneva, Daniela D.; Kokkotas, Kostas D.; Staykov, Kalin V. E-mail: daniela.doneva@uni-tuebingen.de E-mail: kalin.v.staikov@gmail.com

    2014-06-01

    In the present paper we investigate non-perturbatively and self-consistently the structure of neutron stars in R-squared gravity by simultaneously solving the interior and exterior problem. The mass-radius relations are obtained for several equations of state and for wide range of the R-squared gravity parameter a. Even though the deviation from general relativity for nonzero values of a can be large, they are still comparable with the variations due to different modern realistic equations of state. That is why the current observations of the neutron star masses and radii alone can not put constraints on the value of the parameter a. We also compare our results with those obtained within the perturbative method and we discuss the differences between them.

  5. SELF-CONSISTENT LANGEVIN SIMULATION OF COULOMB COLLISIONS IN CHARGED-PARTICLE BEAMS

    SciTech Connect (OSTI)

    J. QIANG; R. RYNE; S. HABIB

    2000-05-01

    In many plasma physics and charged-particle beam dynamics problems, Coulomb collisions are modeled by a Fokker-Planck equation. In order to incorporate these collisions, we present a three-dimensional parallel Langevin simulation method using a Particle-In-Cell (PIC) approach implemented on high-performance parallel computers. We perform, for the first time, a fully self-consistent simulation, in which the friction and diffusion coefficients are computed from first principles. We employ a two-dimensional domain decomposition approach within a message passing programming paradigm along with dynamic load balancing. Object oriented programming is used to encapsulate details of the communication syntax as well as to enhance reusability and extensibility. Performance tests on the SGI Origin 2000 and the Cray T3E-900 have demonstrated good scalability. Work is in progress to apply our technique to intrabeam scattering in accelerators.

  6. Self-Consistent Multiscale Theory of Internal Wave, Mean-Flow Interactions

    SciTech Connect (OSTI)

    Holm, D.D.; Aceves, A.; Allen, J.S.; Alber, M.; Camassa, R.; Cendra, H.; Chen, S.; Duan, J.; Fabijonas, B.; Foias, C.; Fringer, O.; Gent, P.R.; Jordan, R.; Kouranbaeva, S.; Kovacic, G.; Levermore, C.D.; Lythe, G.; Lifschitz, A.; Marsden, J.E.; Margolin, L.; Newberger, P.; Olson, E.; Ratiu, T.; Shkoller, S.; Timofeyev, I.; Titi, E.S.; Wynn, S.

    1999-06-03

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The research reported here produced new effective ways to solve multiscale problems in nonlinear fluid dynamics, such as turbulent flow and global ocean circulation. This was accomplished by first developing new methods for averaging over random or rapidly varying phases in nonlinear systems at multiple scales. We then used these methods to derive new equations for analyzing the mean behavior of fluctuation processes coupled self consistently to nonlinear fluid dynamics. This project extends a technology base relevant to a variety of multiscale problems in fluid dynamics of interest to the Laboratory and applies this technology to those problems. The project's theoretical and mathematical developments also help advance our understanding of the scientific principles underlying the control of complex behavior in fluid dynamical systems with strong spatial and temporal internal variability.

  7. Improved master equation approach to quantum transport: From Born to self-consistent Born approximation

    SciTech Connect (OSTI)

    Jin, Jinshuang; Li, Jun; Liu, Yu; Li, Xin-Qi; Yan, YiJing

    2014-06-28

    Beyond the second-order Born approximation, we propose an improved master equation approach to quantum transport under self-consistent Born approximation. The basic idea is to replace the free Green's function in the tunneling self-energy diagram by an effective reduced propagator under the Born approximation. This simple modification has remarkable consequences. It not only recovers the exact results for quantum transport through noninteracting systems under arbitrary voltages, but also predicts the challenging nonequilibrium Kondo effect. Compared to the nonequilibrium Green's function technique that formulates the calculation of specific correlation functions, the master equation approach contains richer dynamical information to allow more efficient studies for such as the shot noise and full counting statistics.

  8. Self-consistent simulation of CdTe solar cells with active defects

    SciTech Connect (OSTI)

    Brinkman, Daniel; Guo, Da; Akis, Richard; Ringhofer, Christian; Sankin, Igor; Fang, Tian; Vasileska, Dragica

    2015-07-21

    We demonstrate a self-consistent numerical scheme for simulating an electronic device which contains active defects. As a specific case, we consider copper defects in cadmium telluride solar cells. The presence of copper has been shown experimentally to play a crucial role in predicting device performance. The primary source of this copper is migration away from the back contact during annealing, which likely occurs predominantly along grain boundaries. We introduce a mathematical scheme for simulating this effect in 2D and explain the numerical implementation of the system. Lastly, we will give numerical results comparing our results to known 1D simulations to demonstrate the accuracy of the solver and then show results unique to the 2D case.

  9. Self-consistent simulation of CdTe solar cells with active defects

    SciTech Connect (OSTI)

    Brinkman, Daniel; Ringhofer, Christian; Guo, Da; Akis, Richard; Vasileska, Dragica; Sankin, Igor; Fang, Tian

    2015-07-21

    We demonstrate a self-consistent numerical scheme for simulating an electronic device which contains active defects. As a specific case, we consider copper defects in cadmium telluride solar cells. The presence of copper has been shown experimentally to play a crucial role in predicting device performance. The primary source of this copper is migration away from the back contact during annealing, which likely occurs predominantly along grain boundaries. We introduce a mathematical scheme for simulating this effect in 2D and explain the numerical implementation of the system. Finally, we will give numerical results comparing our results to known 1D simulations to demonstrate the accuracy of the solver and then show results unique to the 2D case.

  10. A consistency relation for the CMB B-mode polarization in the squeezed limit

    SciTech Connect (OSTI)

    Kehagias, A.; Dizgah, A. Moradinezhad; Norea, J.; Perrier, H.; Riotto, A. E-mail: Azadeh.Moradinezhad@unige.ch E-mail: Hideki.Perrier@unige.ch

    2014-10-01

    A large-scale temperature perturbation has a non-zero correlation with the power spectrum of B-modes of cosmological origin on short scales while the corresponding correlation is expected to be zero for B-modes sourced by galactic foregrounds. We thus compute the squeezed limit of a three-point function in which one correlates the temperature fluctuations at large scales with two polarization modes at small scales. In the particular case of the B-mode polarization we obtain a relation that connects the squeezed limit of the TBB three-point function with the cosmological B-mode power spectrum, which can be used as a consistency relation. This could in principle help to distinguish a primordial signal from that induced by inter-stellar dust.

  11. Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach

    SciTech Connect (OSTI)

    Antipov, Sergey V.; Ye, Ziyu; Ananth, Nandini

    2015-05-14

    We introduce a new semiclassical (SC) framework, the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), that can be tuned to reproduce existing quantum-limit and classical-limit SC approximations to quantum real-time correlation functions. Applying a modified Filinov transformation to a quantum-limit SC formulation leads to the association of a Filinov parameter with each degree of freedom in the system; varying this parameter from zero to infinity controls the extent of quantization of the corresponding mode. The resulting MQC-IVR expression provides a consistent dynamic framework for mixed quantum-classical simulations and we demonstrate its numerical accuracy in the calculation of real-time correlation functions for a model 1D system and a model 2D system over the full range of quantum- to classical-limit behaviors.

  12. Quantum Chemistry, and Eclectic Mix: From Silicon Carbide to Size Consistency

    SciTech Connect (OSTI)

    Jamie Marie Rintelman

    2004-12-19

    Chemistry is a field of great breadth and variety. It is this diversity that makes for both an interesting and challenging field. My interests have spanned three major areas of theoretical chemistry: applications, method development, and method evaluation. The topics presented in this thesis are as follows: (1) a multi-reference study of the geometries and relative energies of four atom silicon carbide clusters in the gas phase; (2) the reaction of acetylene on the Si(100)-(2x1) surface; (3) an improvement to the Effective Fragment Potential (EFP) solvent model to enable the study of reactions in both aqueous and nonaqueous solution; and (4) an evaluation of the size consistency of Multireference Perturbation Theory (MRPT). In the following section, the author briefly discusses two topics central to, and present throughout, this thesis: Multi-reference methods and Quantum Mechanics/Molecular Mechanics (QM/MM) methods.

  13. Methods for consistent forewarning of critical events across multiple data channels

    DOE Patents [OSTI]

    Hively, Lee M.

    2006-11-21

    This invention teaches further method improvements to forewarn of critical events via phase-space dissimilarity analysis of data from biomedical equipment, mechanical devices, and other physical processes. One improvement involves conversion of time-serial data into equiprobable symbols. A second improvement is a method to maximize the channel-consistent total-true rate of forewarning from a plurality of data channels over multiple data sets from the same patient or process. This total-true rate requires resolution of the forewarning indications into true positives, true negatives, false positives and false negatives. A third improvement is the use of various objective functions, as derived from the phase-space dissimilarity measures, to give the best forewarning indication. A fourth improvement uses various search strategies over the phase-space analysis parameters to maximize said objective functions. A fifth improvement shows the usefulness of the method for various biomedical and machine applications.

  14. Consistent generation and functionalization of one-dimensional cross sections for TRAC-BF1

    SciTech Connect (OSTI)

    Munoz-Cobo, J.L.; Verdu, G.; Pereira, C.; Escriva, A.; Rodenas, J. . Dept. of Chemical and Nuclear Engineering); Castrillo, F.; Serra, J. )

    1994-08-01

    A method of calculation of correct functionalized cross sections and diffusion coefficients for TRAC-BF1, based on the one-dimensional kinetic files of the tridimensional simulator SIMULATE-3, is developed. The method allows the user to obtain first the consistent one-dimensional cross sections, diffusion coefficients, and bucklings, which upon being inserted into TRAC-BF1 conserve the three-dimensional eigenvalues, the planar reaction rates, and the fast and thermal radially averaged fluxes at each axial node. This method also compensates for the differences between the thermal-hydraulic models of the three-dimensional simulator and the transient analysis code. The errors obtained with this method are very small.

  15. Self-consistent electrodynamics of large-area high-frequency capacitive plasma discharge

    SciTech Connect (OSTI)

    Chen Zhigang; Rauf, Shahid; Collins, Ken

    2010-10-15

    Capacitively coupled plasmas (CCPs) generated using high frequency (3-30 MHz) and very high frequency (30-300 MHz) radio-frequency (rf) sources are used for many plasma processing applications including thin film etching and deposition. When chamber dimensions become commensurate with the effective rf wavelength in the plasma, electromagnetic wave effects impose a significant influence on plasma behavior. Because the effective rf wavelength in plasma depends upon both rf and plasma process conditions (e.g., rf power and gas pressure), a self-consistent model including both the rf power delivery system and the plasma discharge is highly desirable to capture a more complete physical picture of the plasma behavior. A three-dimensional model for self-consistently studying both electrodynamic and plasma dynamic behavior of large-area (Gen 10, >8 m{sup 2}) CCP is described in this paper. This model includes Maxwell's equations and transport equations for charged and neutral species, which are coupled and solved in the time domain. The complete rf plasma discharge chamber including the rf power delivery subsystem, rf feed, electrodes, and the plasma domain is modeled as an integrated system. Based on this full-wave solution model, important limitations for processing uniformity imposed by electromagnetic wave propagation effects in a large-area CCP (3.05x2.85 m{sup 2} electrode size) are studied. The behavior of H{sub 2} plasmas in such a reactor is examined from 13.56 to 200 MHz. It is shown that various rectangular harmonics of electromagnetic fields can be excited in a large-area rectangular reactor as the rf or power is increased. The rectangular harmonics can create not only center-high plasma distribution but also high plasma density at the corners and along the edges of the reactor.

  16. A self-consistent two-fluid model of a magnetized plasma-wall transition

    SciTech Connect (OSTI)

    Gyergyek, T.; Kovačič, J.

    2015-09-15

    A self-consistent one-dimensional two-fluid model of the magnetized plasma-wall transition is presented. The model includes magnetic field, elastic collisions between ions and electrons, and creation/annihilation of charged particles. Two systems of differential equations are derived. The first system describes the whole magnetized plasma-wall transition region, which consists of the pre-sheath, the magnetized pre-sheath (Chodura layer), and the sheath, which is not neutral, but contains a positive space charge. The second system of equations describes only the neutral part of the plasma-wall transition region—this means only the pre-sheath and the Chodura layer, but not also the sheath. Both systems are solved numerically. The first system of equations has two singularities. The first occurs when ion velocity in the direction perpendicularly to the wall drops below the ion thermal velocity. The second occurs when the electron velocity in the direction perpendicularly to the wall exceeds the electron thermal velocity. The second system of differential equations only has one singularity, which has also been derived analytically. For finite electron to ion mass ratio, the integration of the second system always breaks down before the Bohm criterion is fulfilled. Some properties of the first system of equations are examined. It is shown that the increased collision frequency demagnetizes the plasma. On the other hand, if the magnetic field is so strong that the ion Larmor radius and the Debye length are comparable, the electron velocity in the direction perpendicularly to the wall reaches the electron thermal velocity before the ion velocity in the direction perpendicularly to the wall reaches the ion sound velocity. In this case, the integration of the model equations breaks down before the Bohm criterion is fulfilled and the sheath is formed.

  17. Pilot project of biogas production from pig manure and urine mixture at ambient temperature in Ventanilla (Lima, Peru)

    SciTech Connect (OSTI)

    Ferrer, I. Gamiz, M.

    2009-01-15

    Parque Porcino de Ventanilla has an extension of 840 ha with 2200 farmers dedicated to pig production. There is a lack of services in the area (i.e., water supply, electricity, or waste collection). Anaerobic treatment of pig manure would replace current dumping and incineration, reducing environmental pollution and hazards to public health, as well as providing an organic fertilizer and biogas. The objective of the present work was to study the viability of ambient temperature anaerobic digestion of pig manure diluted in urine, by means of on-site pilot scale reactors. The final goal was to establish design parameters for anaerobic digesters to be implemented; since it was part of a project to improve life conditions for the farmers through the incorporation of better management techniques. Experiments were carried out in a low-cost pilot plant, which consists of three anaerobic digesters (225 L total volume), without heating or agitation, placed in a greenhouse. The start-up of the digestion process was performed with a mixture of temperature adapted pig manure-sludge and fresh rumen, and showed a good performance regardless of the dilution of pig manure with water or urine, which is a key parameter due to the scarcity of water in the area under study.

  18. Properties of steady discharge in Ar-Kr-F2 gas mixture

    SciTech Connect (OSTI)

    Chengen, Z.

    1981-11-01

    Some properties of Ar-Kr-F/sub 2/ laser gas mixture plasma under steady discharge conditions are computed and discussed. Both the excitation rate of the discharging electrons and the distribution of the discharge energy are discussed. The effects of fluoride gas content and impurity gas content on the discharge property are studied.

  19. Growth Kinetics and Modeling of Direct Oxynitride Growth with NO-O2 Gas Mixtures

    SciTech Connect (OSTI)

    Everist, Sarah; Nelson, Jerry; Sharangpani, Rahul; Smith, Paul Martin; Tay, Sing-Pin; Thakur, Randhir

    1999-05-03

    We have modeled growth kinetics of oxynitrides grown in NO-O2 gas mixtures from first principles using modified Deal-Grove equations. Retardation of oxygen diffusion through the nitrided dielectric was assumed to be the dominant growth-limiting step. The model was validated against experimentally obtained curves with good agreement. Excellent uniformity, which exceeded expected walues, was observed.

  20. Method of analysis of polymerizable monomeric species in a complex mixture

    DOE Patents [OSTI]

    Hermes, Robert E

    2014-03-18

    Method of selective quantitation of a polymerizable monomeric species in a well spacer fluid, said method comprising the steps of adding at least one solvent having a refractive index of less than about 1.33 to a sample of the complex mixture to produce a solvent phase, and measuring the refractive index of the solvent phase.

  1. Demonstration of Pressurizing Coal/Biomass Mixtures Using Posimetric Solids Pump Technology

    SciTech Connect (OSTI)

    Westendorf, Tiffany; Acharya, Harish; Cui, Zhe; Furman, Anthony; Giammattei, Mark; Rader, Jeff; Vazquez, Arturo

    2012-12-31

    This document is the Final Technical Report for a project supported by U.S. DOE NETL (Contract No. DE-FE0000507), GE Global Research, GE Energy, and Idaho National Laboratory (INL). This report discusses key project accomplishments for the period beginning August 7, 2009 and ending December 31, 2012. In this project, pressurized delivery of coal/biomass mixtures using GE Posimetric* solids pump technology was achieved in pilot scale experiments. Coal/biomass mixtures containing 10-50 wt% biomass were fed against pressures of 65-450 psi. Pressure capability increased with decreasing biomass content for a given pump design, and was linked to the interaction of highly compressible coal/biomass mixtures with the pump outlet design. Biomass pretreatment specifications for particle size and moisture content were defined based on bench-scale flowability, compressibility, friction, and permeability experiments that mimic the behavior of the Posimetric pump. A preliminary economic assessment of biomass pretreatment and pump operation for coal/biomass mixtures (CBMs) was conducted.

  2. Development of Metal/Polymer Mixtures for Micro Powder Injection Moulding

    SciTech Connect (OSTI)

    Quinard, C.; Barriere, T.; Gelin, J. C.

    2007-04-07

    Important research tasks at ENSMM/LMA are concerned for the development of mixtures of Fine powders associated to polymer binders dedicated to the powder injection moulding (PIM) and to the powder injection micro-moulding ({mu}PIM) in accordance with many works already carried out with different feedstock suppliers dedicated to the macro-components.

  3. Measurement of adiabatic burning velocity in natural gas-like mixtures

    SciTech Connect (OSTI)

    Ratna Kishore, V.; Duhan, Nipun; Ravi, M.R.; Ray, Anjan

    2008-10-15

    Experimental measurements of the adiabatic burning velocities were carried out for natural gas-like mixtures burning in air over a range of equivalence ratios at atmospheric pressure. Effect of CO{sub 2} dilution up to 60%, N{sub 2} dilution up to 40% and 25% enrichment of ethane on burning velocity of methane-air flames were studied. Heat flux method with setup similar to that of [K.J. Bosschaart, L.P.H. de Goey, Detailed analysis of the heat flux method for measuring burning velocity, Combustion and Flame 132 (2003) 170-180] was used for measurement of burning velocities. Initially experiments were done for methane-air and ethane-air mixtures at various equivalence ratios and the results were in good agreement with published data in the literature. Computations were performed using PREMIX code with GRI 3.0 reaction mechanism for all the mixtures. Predicted flame structures were used to the explain the effect of N{sub 2} and CO{sub 2} dilution on burning velocity of methane-air flames. Peak burning velocity for CH{sub 4}/CO{sub 2}-air mixtures occur near to {phi} = 1.0. (author)

  4. Process and installation for purification of the helium contained in a mixture of gas

    SciTech Connect (OSTI)

    Avon, M.F.; Markarian, G.R.

    1984-04-24

    The present invention relates to a process and an installation for purification of the helium contained in a mixture of gas, employing a pre-treatment unit to retain the impurities such as water, carbon dioxide gas and heavy organic compounds, and at least one reactor of the chromatographic type located downstream of said pre-treatment unit, said process comprising the following steps of: (a) adjusting the pressure of the mixture of gas until the working pressure of the phase of adsorption is obtained, this pressure being between 10 and 30 bars, and preferably 12 to 15 bars; (b) taking the temperature of the mixture of gas at the outlet of said pre-treatment unit until it is located in the range -15/sup 0/ C./-35/sup 0/ C., and preferably -25/sup 0/ C.; (c) and sending the mixture of gas into the reactor and passing it through an absorbent, which is constituted by a microporous charcoal whose pores are of dimensions less than or equal to 20 A.

  5. Technical Note: On the proton range and nuclear interactions in compounds and mixtures

    SciTech Connect (OSTI)

    Rasouli, Fatemeh S. Masoudi, S. Farhad; Jette, David

    2015-05-15

    Purpose: Range and probability of nonelastic nuclear interactions (NNIs) for protons can be found only for a limited number of compounds and mixtures in nuclear data tables, and the proton-related analytical studies are therefore restricted to those materials for which the data are provided in these documents. In this paper, the authors present general solutions for calculating the proton range and probability of NNIs for desired compounds and mixtures. Methods: Benefiting from the Bragg–Kleeman approximation of mass stopping power, the authors derive a concise formula for calculating the proton range in materials with arbitrary number of constituent elements. Additionally, the authors propose another relation for obtaining the probability of undergoing NNIs which is suggested to be additive. Results: The examination of the formula presented shows that the authors’ method can be considered as general solutions for analytical evaluation of the range in compounds and mixtures. The formula proposed for probability of NNIs is valid for almost every compound except for those materials containing H. It is shown that this formula can be modified so that it covers these materials. Conclusions: The authors present a general analytical method for calculating the range and probability of NNIs for protons which are mathematically easy to handle and valid for desired compounds or mixtures composed of an arbitrary number of constituent elements, including materials of interest for proton radiotherapy purposes.

  6. Density and viscosity for mixtures of propanoic acid with aromatic hydrocarbons at 298.15 K

    SciTech Connect (OSTI)

    Singh, M.; Gupta, P.C.; Kesharwani, R.N.

    1995-03-01

    The density and viscosity of binary mixtures of propanic acid + benzene, + toluene, and + o-, + m-, and + p-xylenes have been measured at 298.15 K. Excess volumes have been calculated. The interactions existing between the components have been discussed. The results are used to theoretically justify the validity of the viscosity models.

  7. Consistent satellite XCO2 retrievals from SCIAMACHY and GOSAT using the BESD algorithm

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Heymann, J.; Reuter, M.; Hilker, M.; Buchwitz, M.; Schneising, O.; Bovensmann, H.; Burrows, J. P.; Kuze, A.; Suto, H.; Deutscher, N. M.; et al

    2015-02-13

    Consistent and accurate long-term data sets of global atmospheric concentrations of carbon dioxide (CO2) are required for carbon cycle and climate related research. However, global data sets based on satellite observations may suffer from inconsistencies originating from the use of products derived from different satellites as needed to cover a long enough time period. One reason for inconsistencies can be the use of different retrieval algorithms. We address this potential issue by applying the same algorithm, the Bremen Optimal Estimation DOAS (BESD) algorithm, to different satellite instruments, SCIAMACHY on-board ENVISAT (March 2002–April 2012) and TANSO-FTS on-board GOSAT (launched in Januarymore » 2009), to retrieve XCO2, the column-averaged dry-air mole fraction of CO2. BESD has been initially developed for SCIAMACHY XCO2 retrievals. Here, we present the first detailed assessment of the new GOSAT BESD XCO2 product. GOSAT BESD XCO2 is a product generated and delivered to the MACC project for assimilation into ECMWF's Integrated Forecasting System (IFS). We describe the modifications of the BESD algorithm needed in order to retrieve XCO2 from GOSAT and present detailed comparisons with ground-based observations of XCO2 from the Total Carbon Column Observing Network (TCCON). We discuss detailed comparison results between all three XCO2 data sets (SCIAMACHY, GOSAT and TCCON). The comparison results demonstrate the good consistency between the SCIAMACHY and the GOSAT XCO2. For example, we found a mean difference for daily averages of −0.60 ± 1.56 ppm (mean difference ± standard deviation) for GOSAT-SCIAMACHY (linear correlation coefficient r = 0.82), −0.34 ± 1.37 ppm (r = 0.86) for GOSAT-TCCON and 0.10 ± 1.79 ppm (r = 0.75) for SCIAMACHY-TCCON. The remaining differences between GOSAT and SCIAMACHY are likely due to non-perfect collocation (±2 h, 10° × 10° around TCCON sites), i.e., the observed air masses are not exactly identical, but likely also

  8. Mechanism-based classification of PAH mixtures to predict carcinogenic potential

    SciTech Connect (OSTI)

    Tilton, Susan C.; Siddens, Lisbeth K.; Krueger, Sharon K.; Larkin, Andrew J.; Löhr, Christiane V.; Williams, David E.; Baird, William M.; Waters, Katrina M.

    2015-04-22

    We have previously shown that relative potency factors and DNA adduct measurements are inadequate for predicting carcinogenicity of certain polycyclic aromatic hydrocarbons (PAHs) and PAH mixtures, particularly those that function through alternate pathways or exhibit greater promotional activity compared to benzo[a]pyrene (BaP). Therefore, we developed a pathway based approach for classification of tumor outcome after dermal exposure to PAH/mixtures. FVB/N mice were exposed to dibenzo[def,p]chrysene (DBC), BaP or environmental PAH mixtures (Mix 1-3) following a two-stage initiation/promotion skin tumor protocol. Resulting tumor incidence could be categorized by carcinogenic potency as DBC>>BaP=Mix2=Mix3>Mix1=Control, based on statistical significance. Gene expression profiles measured in skin of mice collected 12 h post-initiation were compared to tumor outcome for identification of short-term bioactivity profiles. A Bayesian integration model was utilized to identify biological pathways predictive of PAH carcinogenic potential during initiation. Integration of probability matrices from four enriched pathways (p<0.05) for DNA damage, apoptosis, response to chemical stimulus and interferon gamma signaling resulted in the highest classification accuracy with leave-one-out cross validation. This pathway-driven approach was successfully utilized to distinguish early regulatory events during initiation prognostic for tumor outcome and provides proof-of-concept for using short-term initiation studies to classify carcinogenic potential of environmental PAH mixtures. As a result, these data further provide a ‘source-to outcome’ model that could be used to predict PAH interactions during tumorigenesis and provide an example of how mode-of-action based risk assessment could be employed for environmental PAH mixtures.

  9. Mechanism-based classification of PAH mixtures to predict carcinogenic potential

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tilton, Susan C.; Siddens, Lisbeth K.; Krueger, Sharon K.; Larkin, Andrew J.; Löhr, Christiane V.; Williams, David E.; Baird, William M.; Waters, Katrina M.

    2015-04-22

    We have previously shown that relative potency factors and DNA adduct measurements are inadequate for predicting carcinogenicity of certain polycyclic aromatic hydrocarbons (PAHs) and PAH mixtures, particularly those that function through alternate pathways or exhibit greater promotional activity compared to benzo[a]pyrene (BaP). Therefore, we developed a pathway based approach for classification of tumor outcome after dermal exposure to PAH/mixtures. FVB/N mice were exposed to dibenzo[def,p]chrysene (DBC), BaP or environmental PAH mixtures (Mix 1-3) following a two-stage initiation/promotion skin tumor protocol. Resulting tumor incidence could be categorized by carcinogenic potency as DBC>>BaP=Mix2=Mix3>Mix1=Control, based on statistical significance. Gene expression profiles measured inmore » skin of mice collected 12 h post-initiation were compared to tumor outcome for identification of short-term bioactivity profiles. A Bayesian integration model was utilized to identify biological pathways predictive of PAH carcinogenic potential during initiation. Integration of probability matrices from four enriched pathways (p<0.05) for DNA damage, apoptosis, response to chemical stimulus and interferon gamma signaling resulted in the highest classification accuracy with leave-one-out cross validation. This pathway-driven approach was successfully utilized to distinguish early regulatory events during initiation prognostic for tumor outcome and provides proof-of-concept for using short-term initiation studies to classify carcinogenic potential of environmental PAH mixtures. As a result, these data further provide a ‘source-to outcome’ model that could be used to predict PAH interactions during tumorigenesis and provide an example of how mode-of-action based risk assessment could be employed for environmental PAH mixtures.« less

  10. Superfluid Fermi-Fermi mixture: Phase diagram, stability, and soliton formation

    SciTech Connect (OSTI)

    Adhikari, Sadhan K.

    2007-11-15

    We study the phase diagram for a dilute Bardeen-Cooper-Schrieffer superfluid Fermi-Fermi mixture (of distinct mass) at zero temperature using energy densities for the superfluid fermions in one (1D), two (2D), and three (3D) dimensions. We also derive the dynamical time-dependent nonlinear Euler-Lagrange equation satisfied by the mixture in one dimension using this energy density. We obtain the linear stability conditions for the mixture in terms of fermion densities of the components and the interspecies Fermi-Fermi interaction. In equilibrium there are two possibilities. The first is that of a uniform mixture of the two components, the second is that of two pure phases of two components without any overlap between them. In addition, a mixed and a pure phase, impossible in 1D and 2D, can be created in 3D. We also obtain the conditions under which the uniform mixture is stable from an energetic consideration. The same conditions are obtained from a modulational instability analysis of the dynamical equations in 1D. Finally, the 1D dynamical equations for the system are solved numerically and by variational approximation (VA) to study the bright solitons of the system for attractive interspecies Fermi-Fermi interaction in 1D. The VA is found to yield good agreement to the numerical result for the density profile and chemical potential of the bright solitons. The bright solitons are demonstrated to be dynamically stable. The experimental realization of these Fermi-Fermi bright solitons seems possible with present setups.

  11. Mechanism-based classification of PAH mixtures to predict carcinogenic potential

    SciTech Connect (OSTI)

    Tilton, Susan C.; Siddens, Lisbeth K.; Krueger, Sharon K.; Larkin, Andrew J.; Lhr, Christiane V.; Williams, David E.; Baird, William M.; Waters, Katrina M.

    2015-04-22

    We have previously shown that relative potency factors and DNA adduct measurements are inadequate for predicting carcinogenicity of certain polycyclic aromatic hydrocarbons (PAHs) and PAH mixtures, particularly those that function through alternate pathways or exhibit greater promotional activity compared to benzo[a]pyrene (BaP). Therefore, we developed a pathway based approach for classification of tumor outcome after dermal exposure to PAH/mixtures. FVB/N mice were exposed to dibenzo[def,p]chrysene (DBC), BaP or environmental PAH mixtures (Mix 1-3) following a two-stage initiation/promotion skin tumor protocol. Resulting tumor incidence could be categorized by carcinogenic potency as DBC>>BaP=Mix2=Mix3>Mix1=Control, based on statistical significance. Gene expression profiles measured in skin of mice collected 12 h post-initiation were compared to tumor outcome for identification of short-term bioactivity profiles. A Bayesian integration model was utilized to identify biological pathways predictive of PAH carcinogenic potential during initiation. Integration of probability matrices from four enriched pathways (p<0.05) for DNA damage, apoptosis, response to chemical stimulus and interferon gamma signaling resulted in the highest classification accuracy with leave-one-out cross validation. This pathway-driven approach was successfully utilized to distinguish early regulatory events during initiation prognostic for tumor outcome and provides proof-of-concept for using short-term initiation studies to classify carcinogenic potential of environmental PAH mixtures. As a result, these data further provide a source-to outcome model that could be used to predict PAH interactions during tumorigenesis and provide an example of how mode-of-action based risk assessment could be employed for environmental PAH mixtures.

  12. Combined uranous nitrate production consisting of undivided electrolytic cell and divided electrolytic cell (Electrolysis ? Electrolytic cell)

    SciTech Connect (OSTI)

    Yuan, Zhongwei; Yan, Taihong; Zheng, Weifang; Li, Xiaodong; Yang, Hui; Xian, Liang

    2013-07-01

    The electrochemical reduction of uranyl nitrate is a green, mild way to make uranous ions. Undivided electrolyzers whose maintenance is less but their conversion ratio and current efficiency are low, have been chosen. However, at the beginning of undivided electrolysis, high current efficiency can also be maintained. Divided electrolyzers' conversion ratio and current efficiency is much higher because the re-oxidation of uranous on anode is avoided, but their maintenance costs are more, because in radioactive environment the membrane has to be changed after several operations. In this paper, a combined method of uranous production is proposed which consists of 2 stages: undivided electrolysis (early stage) and divided electrolysis (late stage) to benefit from the advantages of both electrolysis modes. The performance of the combined method was tested. The results show that in combined mode, after 200 min long electrolysis (80 min undivided electrolysis and 120 min divided electrolysis), U(IV) yield can achieve 92.3% (500 ml feed, U 199 g/l, 72 cm{sup 2} cathode, 120 mA/cm{sup 2}). Compared with divided mode, about 1/3 working time in divided electrolyzer is reduced to achieve the same U(IV) yield. If 120 min long undivided electrolysis was taken, more than 1/2 working time can be reduced in divided electrolyzer, which means that about half of the maintenance cost can also be reduced. (authors)

  13. Consistent Multigroup Theory Enabling Accurate Course-Group Simulation of Gen IV Reactors

    SciTech Connect (OSTI)

    Rahnema, Farzad; Haghighat, Alireza; Ougouag, Abderrafi

    2013-11-29

    The objective of this proposal is the development of a consistent multi-group theory that accurately accounts for the energy-angle coupling associated with collapsed-group cross sections. This will allow for coarse-group transport and diffusion theory calculations that exhibit continuous energy accuracy and implicitly treat cross- section resonances. This is of particular importance when considering the highly heterogeneous and optically thin reactor designs within the Next Generation Nuclear Plant (NGNP) framework. In such reactors, ignoring the influence of anisotropy in the angular flux on the collapsed cross section, especially at the interface between core and reflector near which control rods are located, results in inaccurate estimates of the rod worth, a serious safety concern. The scope of this project will include the development and verification of a new multi-group theory enabling high-fidelity transport and diffusion calculations in coarse groups, as well as a methodology for the implementation of this method in existing codes. This will allow for a higher accuracy solution of reactor problems while using fewer groups and will reduce the computational expense. The proposed research represents a fundamental advancement in the understanding and improvement of multi- group theory for reactor analysis.

  14. Consistent multi-internal-temperature models for vibrational and electronic nonequilibrium in hypersonic nitrogen plasma flows

    SciTech Connect (OSTI)

    Guy, Aurlien Bourdon, Anne Perrin, Marie-Yvonne

    2015-04-15

    In this work, a state-to-state vibrational and electronic collisional model is developed to investigate nonequilibrium phenomena behind a shock wave in an ionized nitrogen flow. In the ionization dynamics behind the shock wave, the electron energy budget is of key importance and it is found that the main depletion term corresponds to the electronic excitation of N atoms, and conversely the major creation terms are the electron-vibration term at the beginning, then replaced by the electron ions elastic exchange term. Based on these results, a macroscopic multi-internal-temperature model for the vibration of N{sub 2} and the electronic levels of N atoms is derived with several groups of vibrational levels of N{sub 2} and electronic levels of N with their own internal temperatures to model the shape of the vibrational distribution of N{sub 2} and of the electronic excitation of N, respectively. In this model, energy and chemistry source terms are calculated self-consistently from the rate coefficients of the state-to-state database. For the shock wave condition studied, a good agreement is observed on the ionization dynamics as well as on the atomic bound-bound radiation between the state-to-state model and the macroscopic multi-internal temperature model with only one group of vibrational levels of N{sub 2} and two groups of electronic levels of N.

  15. SELF-CONSISTENT ION CYCLOTRON ANISOTROPY-BETA RELATION FOR SOLAR WIND PROTONS

    SciTech Connect (OSTI)

    Isenberg, Philip A.; Maruca, Bennett A.; Kasper, Justin C. E-mail: bmaruca@ssl.berkeley.edu

    2013-08-20

    We derive a set of self-consistent marginally stable states for a system of ion-cyclotron waves propagating parallel to the large-scale magnetic field through a homogeneous proton-electron plasma. The proton distributions and the wave dispersions are related through the condition that no further ion-cyclotron resonant particle scattering or wave growth/damping may take place. The thermal anisotropy of the protons in these states therefore defines the threshold value for triggering the proton-cyclotron anisotropy instability. A number of recent papers have noted that the anisotropy of solar wind protons at 1 AU does not seem to be limited by the proton-cyclotron anisotropy threshold, even at low plasma beta. However, this puzzle seems to be due solely to the estimation of this anisotropy threshold under the assumption that the protons have a bi-Maxwellian distribution. We note that bi-Maxwellian distributions are never marginally stable to the resonant cyclotron interaction, so these estimates do not represent physically valid thresholds. The threshold anisotropies obtained from our marginally stable states are much larger, as a function of proton parallel beta, than the bi-Maxwellian estimates, and we show that the measured data remains below these more rigorous thresholds. Thus, the results of this paper resolve the apparent contradiction presented by the solar wind anisotropy observations at 1 AU: the bi-Maxwellian anisotropies are not rigorous thresholds, and so do not limit the proton distributions in the solar wind.

  16. Consistent use of type Ia supernovae highly magnified by galaxy clusters to constrain the cosmological parameters

    SciTech Connect (OSTI)

    Zitrin, Adi [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, MS 249-17, Pasadena, CA 91125 (United States); Redlich, Matthias [Universitt Heidelberg, Zentrum fr Astronomie, Institut fr Theoretische Astrophysik, Philosophenweg 12, D-69120 Heidelberg (Germany); Broadhurst, Tom, E-mail: adizitrin@gmail.com [Department of Theoretical Physics, University of Basque Country UPV/EHU, Bilbao (Spain)

    2014-07-01

    We discuss how Type Ia supernovae (SNe) strongly magnified by foreground galaxy clusters should be self-consistently treated when used in samples fitted for the cosmological parameters. While the cluster lens magnification of a SN can be well constrained from sets of multiple images of various background galaxies with measured redshifts, its value is typically dependent on the fiducial set of cosmological parameters used to construct the mass model. In such cases, one should not naively demagnify the observed SN luminosity by the model magnification into the expected Hubble diagram, which would create a bias, but instead take into account the cosmological parameters a priori chosen to construct the mass model. We quantify the effect and find that a systematic error of typically a few percent, up to a few dozen percent per magnified SN may be propagated onto a cosmological parameter fit unless the cosmology assumed for the mass model is taken into account (the bias can be even larger if the SN is lying very near the critical curves). We also simulate how such a bias propagates onto the cosmological parameter fit using the Union2.1 sample supplemented with strongly magnified SNe. The resulting bias on the deduced cosmological parameters is generally at the few percent level, if only few biased SNe are included, and increases with the number of lensed SNe and their redshift. Samples containing magnified Type Ia SNe, e.g., from ongoing cluster surveys, should readily account for this possible bias.

  17. A self-consistent model of the lateral behavior of a twin-stripe injection laser

    SciTech Connect (OSTI)

    Kumar, T.; Ormondroyd, R.F.; Rozzi, T.E.

    1986-10-01

    A fully self-consistent computer model of the steady-state behavior of the zero-order lateral optical field of a GaAs twin-stripe injection laser is presented which takes into account current spreading in the p-type confining layer, the effect of lateral diffusion of carriers in the active layer, and bimolecular and stimulated radiative recombination. The results predict the lateral movement of the near field of the optical signal under asymmetric drive conditions, as observed in practice. Also calculated are the corresponding carrier and current density distributions. It is shown that the near-field zero order lateral optical field can be beam steered across the facet by only 2 ..mu..m, typically. However, the initial position of the beam can be controlled by the two-stripe currents and also the geometry of the device. For the case where I/sub s1/ approx. = I/sub s2/ the beam movement is seen to be proportional to either I/sub s1/ or I/sub s2/. The results show that beam steering is not accompanied by a negative slope to the I-L characteristics. The effect of geometry and diffusion coefficient on the value of maximum current allowed before modal instability occurs is also given.

  18. The physical squeezed limit: consistency relations at order q{sup 2}

    SciTech Connect (OSTI)

    Creminelli, Paolo; Perko, Ashley; Senatore, Leonardo; Simonovi?, Marko; Trevisan, Gabriele E-mail: perko@stanford.edu E-mail: msimonov@sissa.it

    2013-11-01

    In single-field models of inflation the effect of a long mode with momentum q reduces to a diffeomorphism at zeroth and first order in q. This gives the well-known consistency relations for the n-point functions. At order q{sup 2} the long mode has a physical effect on the short ones, since it induces curvature, and we expect that this effect is the same as being in a curved FRW universe. In this paper we verify this intuition in various examples of the three-point function, whose behaviour at order q{sup 2} can be written in terms of the power spectrum in a curved universe. This gives a simple alternative understanding of the level of non-Gaussianity in single-field models. Non-Gaussianity is always parametrically enhanced when modes freeze at a physical scale k{sub ph,f} shorter than H: f{sub NL} ? (k{sub ph,f}/H){sup 2}.

  19. Impact of Lack of Consistent Free Release Standards on Decommissioning Projects and Costs

    SciTech Connect (OSTI)

    Devgun, J. S.

    2002-02-26

    While the Nuclear Regulatory Commission has had specific and dose-based standards for the release of liquids and gases for a long time, there are no regulatory mechanisms in place for the release of solid bulk materials from a nuclear power plant. Even though free releases of small quantities of solid materials continue under existing guidelines from the operating plants, the regulatory void creates major difficulties for the bulk materials that result from the decommissioning of a nuclear site. Decommissioning of a commercial nuclear power plant generates large quantities of solid bulk materials such as concrete, metal, and demolition debris. Disposition of such materials has a large impact on the overall decommissioning cost. Yet, there are no clear and cost-effective alternatives for the disposal of these materials from a regulatory perspective. This paper discusses the methodologies for clearance of solid materials1, their applicability to the disposition of bulk materials, and the impact of lack of consistent free release standards on the decommissioning projects and costs.

  20. Average intragranular misorientation trends in polycrystalline materials predicted by a viscoplastic self-consistent approach

    SciTech Connect (OSTI)

    Lebensohn, Ricardo A.; Zecevic, Miroslav; Knezevic, Marko; McCabe, Rodney J.

    2015-12-15

    Here, this work presents estimations of average intragranular fluctuations of lattice rotation rates in polycrystalline materials, obtained by means of the viscoplastic self-consistent (VPSC) model. These fluctuations give a tensorial measure of the trend of misorientation developing inside each single crystal grain representing a polycrystalline aggregate. We first report details of the algorithm implemented in the VPSC code to estimate these fluctuations, which are then validated by comparison with corresponding full-field calculations. Next, we present predictions of average intragranular fluctuations of lattice rotation rates for cubic aggregates, which are rationalized by comparison with experimental evidence on annealing textures of fcc and bcc polycrystals deformed in tension and compression, respectively, as well as with measured intragranular misorientation distributions in a Cu polycrystal deformed in tension. The orientation-dependent and micromechanically-based estimations of intragranular misorientations that can be derived from the present implementation are necessary to formulate sound sub-models for the prediction of quantitatively accurate deformation textures, grain fragmentation, and recrystallization textures using the VPSC approach.

  1. Average intragranular misorientation trends in polycrystalline materials predicted by a viscoplastic self-consistent approach

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lebensohn, Ricardo A.; Zecevic, Miroslav; Knezevic, Marko; McCabe, Rodney J.

    2015-12-15

    Here, this work presents estimations of average intragranular fluctuations of lattice rotation rates in polycrystalline materials, obtained by means of the viscoplastic self-consistent (VPSC) model. These fluctuations give a tensorial measure of the trend of misorientation developing inside each single crystal grain representing a polycrystalline aggregate. We first report details of the algorithm implemented in the VPSC code to estimate these fluctuations, which are then validated by comparison with corresponding full-field calculations. Next, we present predictions of average intragranular fluctuations of lattice rotation rates for cubic aggregates, which are rationalized by comparison with experimental evidence on annealing textures of fccmore » and bcc polycrystals deformed in tension and compression, respectively, as well as with measured intragranular misorientation distributions in a Cu polycrystal deformed in tension. The orientation-dependent and micromechanically-based estimations of intragranular misorientations that can be derived from the present implementation are necessary to formulate sound sub-models for the prediction of quantitatively accurate deformation textures, grain fragmentation, and recrystallization textures using the VPSC approach.« less

  2. On the consistency of QCBED structure factor measurements for TiO2 (Rutile)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jiang, Bin; Zuo, Jian -Min; Friis, Jesper; Spence, John C. H.

    2003-09-16

    The same Bragg reflection in TiO2 from twelve different CBED patterns (from different crystals, orientations and thicknesses) are analysed quantitatively in order to evaluate the consistency of the QCBED method for bond-charge mapping. The standard deviation in the resulting distribution of derived X-ray structure factors is found to be an order of magnitude smaller than that in conventional X-ray work, and the standard error (0.026% for FX(110)) is slightly better than obtained by the X-ray Pendellosung method applied to silicon. This is sufficiently accuracy to distinguish between atomic, covalent and ionic models of bonding. We describe the importance of extractingmore » experimental parameters from CCD camera characterization, and of surface oxidation and crystal shape. Thus, the current experiments show that the QCBED method is now a robust and powerful tool for low order structure factor measurement, which does not suffer from the large extinction (multiple scattering) errors which occur in inorganic X-ray crystallography, and may be applied to nanocrystals. Our results will be used to understand the role of d electrons in the chemical bonding of TiO2.« less

  3. Effects of prenatal exposure to a low dose atrazine metabolite mixture on pubertal timing and prostate development of male Long-Evans rats

    SciTech Connect (OSTI)

    Stanko, Jason; Enoch, Rolondo; Rayner, Jennifer L; Davis, Christine; Wolf, Douglas; Malarkey, David; Fenton, Suzanne

    2010-12-01

    The present study examines the postnatal reproductive development of male rats following prenatal exposure to an atrazine metabolite mixture (AMM) consisting of the herbicide atrazine and its environmental metabolites diaminochlorotriazine, hydroxyatrazine, deethylatrazine, and deisopropylatrazine. Pregnant Long-Evans rats were treated by gavage with 0.09, 0.87, or 8.73 mg AMM/kg body weight (BW), vehicle, or 100 mg ATR/kg BW positive control, on gestation days 15 19. Preputial separation was significantly delayed in 0.87 mg and 8.73 mg AMM-exposed males. AMM-exposed males demonstrated a significant treatment-related increase in incidence and severity of inflammation in the prostate on postnatal day (PND) 120. A dose-dependent increase in epididymal fat masses and prostate foci were grossly visible in AMM-exposed offspring. These results indicate that a short, late prenatal exposure to mixture of chlorotriazine metabolites can cause chronic prostatitis in male LE rats. The mode of action for these effects is presently unclear.

  4. Photolysis of solid NH{sub 3} and NH{sub 3}-H{sub 2}O mixtures at 193 nm

    SciTech Connect (OSTI)

    Loeffler, M. J.; Baragiola, R. A.

    2010-12-07

    We have studied UV photolysis of solid ammonia and ammonia-dihydrate samples at 40 K, using infrared spectroscopy, mass spectrometry, and microgravimetry. We have shown that in the pure NH{sub 3} sample, the main species ejected are NH{sub 3}, H{sub 2}, and N{sub 2}, where the hydrogen and nitrogen increase with laser fluence. This increase in N{sub 2} ejection with laser fluence explains the increase in mass loss rate detected by a microbalance. In contrast, for the ammonia-water mixture, we see very weak signals of H{sub 2} and N{sub 2} in the mass spectrometer, consistent with the very small mass loss during the experiment and with a <5% decrease in the NH{sub 3} infrared absorption bands spectroscopy after a fluence of {approx}3 x 10{sup 19} photons/cm{sup 2}. The results imply that ammonia-ice mixtures in the outer solar system are relatively stable under solar irradiation.

  5. Binary nucleation rates for ethanol/water mixtures in supersonic Laval nozzles: Analyses by the first and second nucleation theorems

    SciTech Connect (OSTI)

    Tanimura, Shinobu; Pathak, Harshad; Wyslouzil, Barbara E.; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210

    2013-11-07

    We performed pressure trace measurements and small angle x-ray scattering measurements to determine the vapor-liquid nucleation rates of EtOH/H{sub 2}O mixtures including pure EtOH and pure H{sub 2}O in two supersonic Laval nozzles with different expansion rates. The nucleation rates varied from 0.9 × 10{sup 17} to 16 × 10{sup 17} cm{sup −3} s{sup −1} over the temperature range of 210 K to 230 K, EtOH activity range of 0 to 11.6, and H{sub 2}O activity range of 0 to 124. The first and second nucleation theorems were applied to the nucleation rates to estimate the sizes, compositions, and excess energies of the critical clusters. The critical clusters contained from 4 to 15 molecules for pure H{sub 2}O and EtOH/H{sub 2}O clusters, and from 16 to 23 molecules for pure EtOH clusters. Comparing the excess energies of the pure H{sub 2}O critical clusters with the results of a quantum-chemistry calculation suggested that the pre-factor of the theoretical nucleation rate is almost constant regardless of the monomer concentration. One possible explanation for this result is that cooling of the critical clusters limits the nucleation rate under the highly supersaturated conditions. The results of the analyses also yielded the relation between the surface energy and the composition of the critical clusters, where the latter are predicted to consist only of surface molecules. Applying this relationship to the EtOH/H{sub 2}O bulk liquid mixtures, we estimated the EtOH mole fraction in the surface layer and found it is higher than that derived from the surface tension based on the Gibbs adsorption equation when the EtOH mole fraction in the liquid is higher than about 0.2 mol/mol. This discrepancy was attributed to the existence of the EtOH depletion layer just below the surface layer of the liquid.

  6. GLASS FABRICATION AND PRODUCT CONSISTENCY TESTING OF LANTHANIDE BOROSILICATE FRIT B COMPOSITION FOR PLUTONIUM DISPOSITION

    SciTech Connect (OSTI)

    Marra, J

    2006-01-19

    The Department of Energy Office of Environmental Management (DOE/EM) plans to conduct the Plutonium Disposition Project at the Savannah River Site (SRS) to disposition excess weapons-usable plutonium. A plutonium glass waste form is a leading candidate for immobilization of the plutonium for subsequent disposition in a geologic repository. A reference glass composition (Lanthanide Borosilicate (LaBS) Frit B) was developed during the Plutonium Immobilization Program (PIP) to immobilize plutonium. A limited amount of performance testing was performed on this baseline composition before efforts to further pursue Pu disposition via a glass waste form ceased. Therefore, the objectives of this present task were to fabricate plutonium loaded LaBS Frit B glass and perform additional testing to provide near-term data that will increase confidence that LaBS glass product is suitable for disposal in the Yucca Mountain Repository. Specifically, testing was conducted in an effort to provide data to Yucca Mountain Project (YMP) personnel for use in performance assessment calculations. Plutonium containing LaBS glass with the Frit B composition with a 9.5 wt% PuO{sub 2} loading was prepared for testing. Glass was prepared to support Product Consistency Testing (PCT) at Savannah River National Laboratory (SRNL) and for additional performance testing at Argonne National Laboratory (ANL) and Pacific Northwest National Laboratory (PNNL). The glass was characterized using x-ray diffraction (XRD) and scanning electron microscopy coupled with energy dispersive spectroscopy (SEM/EDS) prior to performance testing. A series of PCTs were conducted at SRNL with varying exposed surface area and test durations. The leachates from these tests were analyzed to determine the dissolved concentrations of key elements. Acid stripping of leach vessels was performed to determine the concentration of the glass constituents that may have sorbed on the vessels during leach testing. Additionally, the

  7. Consistent satellite XCO2 retrievals from SCIAMACHY and GOSAT using the BESD algorithm

    SciTech Connect (OSTI)

    Heymann, J.; Reuter, M.; Hilker, M.; Buchwitz, M.; Schneising, O.; Bovensmann, H.; Burrows, J. P.; Kuze, A.; Suto, H.; Deutscher, N. M.; Dubey, M. K.; Griffith, D. W. T.; Hase, F.; Kawakami, S.; Kivi, R.; Morino, I.; Petri, C.; Roehl, C.; Schneider, M.; Sherlock, V.; Sussmann, R.; Velazco, V. A.; Warneke, T.; Wunch, D.

    2015-02-13

    Consistent and accurate long-term data sets of global atmospheric concentrations of carbon dioxide (CO2) are required for carbon cycle and climate related research. However, global data sets based on satellite observations may suffer from inconsistencies originating from the use of products derived from different satellites as needed to cover a long enough time period. One reason for inconsistencies can be the use of different retrieval algorithms. We address this potential issue by applying the same algorithm, the Bremen Optimal Estimation DOAS (BESD) algorithm, to different satellite instruments, SCIAMACHY on-board ENVISAT (March 2002April 2012) and TANSO-FTS on-board GOSAT (launched in January 2009), to retrieve XCO2, the column-averaged dry-air mole fraction of CO2. BESD has been initially developed for SCIAMACHY XCO2 retrievals. Here, we present the first detailed assessment of the new GOSAT BESD XCO2 product. GOSAT BESD XCO2 is a product generated and delivered to the MACC project for assimilation into ECMWF's Integrated Forecasting System (IFS). We describe the modifications of the BESD algorithm needed in order to retrieve XCO2 from GOSAT and present detailed comparisons with ground-based observations of XCO2 from the Total Carbon Column Observing Network (TCCON). We discuss detailed comparison results between all three XCO2 data sets (SCIAMACHY, GOSAT and TCCON). The comparison results demonstrate the good consistency between the SCIAMACHY and the GOSAT XCO2. For example, we found a mean difference for daily averages of ?0.60 1.56 ppm (mean difference standard deviation) for GOSAT-SCIAMACHY (linear correlation coefficient r = 0.82), ?0.34 1.37 ppm (r = 0.86) for GOSAT-TCCON and 0.10 1.79 ppm (r = 0.75) for SCIAMACHY-TCCON. The remaining differences between GOSAT and SCIAMACHY are likely due to non

  8. Investigation of electron-atom/molecule scattering resonances: Two complex multiconfigurational self-consistent field approaches

    SciTech Connect (OSTI)

    Samanta, Kousik; Yeager, Danny L.

    2015-01-22

    Resonances are temporarily bound states which lie in the continuum part of the Hamiltonian. If the electronic coordinates of the Hamiltonian are scaled (“dilated”) by a complex parameter, η = αe{sup iθ} (α, θ real), then its complex eigenvalues represent the scattering states (resonant and non-resonant) while the eigenvalues corresponding to the bound states and the ionization and the excitation thresholds remain real and unmodified. These make the study of these transient species amenable to the bound state methods. We developed a quadratically convergent multiconfigurational self-consistent field method (MCSCF), a well-established bound-state technique, combined with a dilated Hamiltonian to investigate resonances. This is made possible by the adoption of a second quantization algebra suitable for a set of “complex conjugate biorthonormal” spin orbitals and a modified step-length constraining algorithm to control the walk on the complex energy hypersurface while searching for the stationary point using a multidimensional Newton-Raphson scheme. We present our computational results for the {sup 2}PBe{sup −} shape resonances using two different computationally efficient methods that utilize complex scaled MCSCF (i.e., CMCSCF). These two methods are to straightforwardly use CMCSCF energy differences and to obtain energy differences using an approximation to the complex multiconfigurational electron propagator. It is found that, differing from previous computational studies by others, there are actually two {sup 2}PBe{sup −} shape resonances very close in energy. In addition, N{sub 2} resonances are examined using one of these methods.

  9. Plasma Biomarker Profiles Differ Depending on Breast Cancer Subtype but RANTES is Consistently Increased

    SciTech Connect (OSTI)

    Gonzales, Rachel M.; Daly, Don S.; Tan, Ruimin; Marks, Jeffrey R.; Zangar, Richard C.

    2011-07-01

    Background: Current biomarkers for breast cancer have little potential for detection. We determined if breast cancer subtypes influence circulating protein biomarkers. Methods: A sandwich-ELISA microarray platform was used to evaluate 23 candidate biomarkers in plasma samples that were obtained from subjects with either benign breast disease or invasive breast cancer. All plasma samples were collected at the time of biopsy, after a referral due to a suspicious screen (e.g., mammography). Cancer samples were evaluated based on breast cancer subtypes, as defined by the HER2 and estrogen receptor statuses. Results: Ten proteins were statistically altered in at least one breast cancer subtype, including four epidermal growth factor receptor ligands, two matrix metalloproteases, two cytokines, and two angiogenic factors. Only one cytokine, RANTES, was significantly increased (P<0.01 for each analysis) in all four subtypes, with areas under receiver operating characteristic curves (AUC) that ranged from 0.76 to 0.82, depending on cancer subtype. The best AUC values were observed for analyses that combined data from multiple biomarkers, with values ranging from 0.70 to 0.99, depending on the cancer subtype. Although the results for RANTES are consistent with previous publications, the multi-assay results need to be validated in independent sample sets. Conclusions: Different breast cancer subtypes produce distinct biomarker profiles, and circulating protein biomarkers have potential to differentiate between true and false positive screens for breast cancer. Impact: Subtype-specific biomarker panels may be useful for detecting breast cancer or as an adjunct assay to improve the accuracy of current screening methods.

  10. Consistency check for trends in surface temperature and upper-level circulation: 1950-1992

    SciTech Connect (OSTI)

    Van Den Dool, H.M.; O'Lenic, E.A. ); Klein, W.H. )

    1993-12-01

    A time series of 43 years of observed monthly mean air temperature at 109 sites in the 48 contiguous US is compared to monthly mean air temperature specified from hemispheric gridded 700-mb heights. Because both upper-air and surface data have problems that may limit their use in climate change studies, this comparison could be considered a mutual consistency check. Cooling (by about 0.5[degrees]C) from 1951 to about 1970 and subsequent warming (also by 0.5[degrees]C) that continues through the present are found in both datasets, indicating that these interdecadal changes are probably real. In the last several years the specified temperatures were often colder than those observed. This prompted an investigation of whether the [open quotes]residual[close quotes] (specified minus observed) has recently been large (and negative) compared to the earlier part of the record. It was found that for the same 700-mb height field, surface temperatures were almost a degree Celsius warmer in the last few years than they were in the early 1950s, but considering the variability of the residuals over the 1950-92 period, the recent cold residuals may not yet be strikingly unusual. By comparing the full set of 109 stations to a [open quotes]clean[close quotes] subset of 24, the impact of common problems in surface data (station relocation, urbanization, etc.) was found to be quite small. The rather favorable comparison of observed surface temperatures and specified temperatures (which suffer from upper-air analysis/observation changes over the years) indicates that their respective data problems do not appear to validate their use in studies of interdecadal temperature change. 16 refs., 6 figs.

  11. Self-consistent modeling of electrochemical strain microscopy of solid electrolytes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tselev, Alexander; Morozovska, Anna N.; Udod, Alexei; Eliseev, Eugene A.; Kalinin, Sergei V.

    2014-10-10

    Electrochemical strain microscopy (ESM) employs a strong electromechanical coupling in solid ionic conductors to map ionic transport and electrochemical processes with nanometer-scale spatial resolution. To elucidate the mechanisms of the ESM image formation, we performed self-consistent numerical modeling of the electromechanical response in solid electrolytes under the probe tip in a linear, small-signal regime using the Boltzmann–Planck–Nernst–Einstein theory and Vegard's law while taking account of the electromigration and diffusion. We identified the characteristic time scales involved in the formation of the ESM response and found that the dynamics of the charge carriers in the tip-electrolyte system with blocking interfaces canmore » be described as charging of the diffuse layer at the tip-electrolyte interface through the tip contact spreading resistance. At the high frequencies used in the detection regime, the distribution of the charge carriers under the tip is governed by evanescent concentration waves generated at the tip-electrolyte interface. The ion drift length in the electric field produced by the tip determines the ESM response at high frequencies, which follows a 1/f asymptotic law. The electronic conductivity, as well as the electron transport through the electrode-electrolyte interface, do not have a significant effect on the ESM signal in the detection regime. The results indicate, however, that for typical solid electrolytes at room temperature, the ESM response originates at and contains information about the very surface layer of a sample, and the properties of the one-unit-cell-thick surface layer may significantly contribute to the ESM response, implying a high surface sensitivity and a high lateral resolution of the technique. On the other hand, it follows that a rigorous analysis of the ESM signals requires techniques that account for the discrete nature of a solid.« less

  12. Self-consistent modeling of radio-frequency plasma generation in stellarators

    SciTech Connect (OSTI)

    Moiseenko, V. E. Stadnik, Yu. S.; Lysoivan, A. I.; Korovin, V. B.

    2013-11-15

    A self-consistent model of radio-frequency (RF) plasma generation in stellarators in the ion cyclotron frequency range is described. The model includes equations for the particle and energy balance and boundary conditions for Maxwells equations. The equation of charged particle balance takes into account the influx of particles due to ionization and their loss via diffusion and convection. The equation of electron energy balance takes into account the RF heating power source, as well as energy losses due to the excitation and electron-impact ionization of gas atoms, energy exchange via Coulomb collisions, and plasma heat conduction. The deposited RF power is calculated by solving the boundary problem for Maxwells equations. When describing the dissipation of the energy of the RF field, collisional absorption and Landau damping are taken into account. At each time step, Maxwells equations are solved for the current profiles of the plasma density and plasma temperature. The calculations are performed for a cylindrical plasma. The plasma is assumed to be axisymmetric and homogeneous along the plasma column. The system of balance equations is solved using the Crank-Nicholson scheme. Maxwells equations are solved in a one-dimensional approximation by using the Fourier transformation along the azimuthal and longitudinal coordinates. Results of simulations of RF plasma generation in the Uragan-2M stellarator by using a frame antenna operating at frequencies lower than the ion cyclotron frequency are presented. The calculations show that the slow wave generated by the antenna is efficiently absorbed at the periphery of the plasma column, due to which only a small fraction of the input power reaches the confinement region. As a result, the temperature on the axis of the plasma column remains low, whereas at the periphery it is substantially higher. This leads to strong absorption of the RF field at the periphery via the Landau mechanism.

  13. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOE Patents [OSTI]

    Christophorou, Loucas G. (Oak Ridge, TN); Hunter, Scott R. (Oak Ridge, TN)

    1990-01-01

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc.

  14. Enhancing the Benefit of the Chemical Mixture Methodology: A Report on Methodology Testing and Potential Approaches for Improving Performance

    SciTech Connect (OSTI)

    Yu, Xiao-Ying; Yao, Juan; He, Hua; Glantz, Clifford S.; Booth, Alexander E.

    2012-01-01

    Extensive testing shows that the current version of the Chemical Mixture Methodology (CMM) is meeting its intended mission to provide conservative estimates of the health effects from exposure to airborne chemical mixtures. However, the current version of the CMM could benefit from several enhancements that are designed to improve its application of Health Code Numbers (HCNs) and employ weighting factors to reduce over conservatism.

  15. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOE Patents [OSTI]

    Christophorou, L.G.; Hunter, S.R.

    1990-06-26

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc. 11 figs.

  16. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOE Patents [OSTI]

    Christophorou, L.G.; Hunter, S.R.

    1988-06-28

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc. 11 figs.

  17. Enhancing the Chemical Mixture Methodology in Emergency Preparedness and Consequence Assessment

    SciTech Connect (OSTI)

    Yu, Xiao-Ying; Glantz, Clifford S.; Yao, Juan; He, Hua; Petrocchi, Achille J.; Craig, Doug K.; Ciolek, John T.; Booth, Alexander E.

    2013-11-01

    Emergency preparedness personnel at US Department of Energy (DOE) facilities use the chemical mixture methodology (CMM) to estimate the potential health impacts to workers and the public from the unintended airborne release of chemical mixtures. The CMM uses a Hazard Index (HI) to compare a chemicals concentration at a receptor location to an appropriate concentration limit for that chemical. This limit is typically based on Protection Action Criteria (PAC) values developed and published by the DOE. As a first cut, the CMM sums the HIs for all the chemicals in a mixture to conservatively estimate their combined health impact. A cumulative HI ? 1.0 represents a concentration at or exceeding the concentration limit and indicates the potential for adverse health effects. Next, health code numbers (HCNs) are used to identify the target organ sets that may be impacted by exposure to each chemical in a mixture. The sum of the HIs for the maximally impacted target organ set is used to provide a refined, though still conservative estimate, of the potential for adverse health effects from exposure to the chemical mixture. This paper explores approaches to further enhance the effectiveness of the CMM by using HCN weighting factors to reduce over-conservatism. A series of 24 case studies have been defined to evaluate both the existing CMM and three new approaches for improving the CMM. The first approach uses a set of HCN weighting factors that are applied based on the priority ranking of the HCNs for each chemical. The second approach uses weighting factors based on the priority rankings of the HCNs established for a given type of concentration limit. The third approach uses information on the exposure route used to derive PAC values and the second approachs HCN ranking to derive and apply its HCN weighting factors. Initial testing indicates that applying weighting factors reduces the over-conservatism in the CMM for certain types of chemical mixtures, though care must be

  18. Correlation consistent basis sets for actinides. I. The Th and U atoms

    SciTech Connect (OSTI)

    Peterson, Kirk A.

    2015-02-21

    New correlation consistent basis sets based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DKH) Hamiltonians have been developed from double- to quadruple-zeta quality for the actinide atoms thorium and uranium. Sets for valence electron correlation (5f6s6p6d), cc − pV nZ − PP and cc − pV nZ − DK3, as well as outer-core correlation (valence + 5s5p5d), cc − pwCV nZ − PP and cc − pwCV nZ − DK3, are reported (n = D, T, Q). The -PP sets are constructed in conjunction with small-core, 60-electron PPs, while the -DK3 sets utilized the 3rd-order Douglas-Kroll-Hess scalar relativistic Hamiltonian. Both series of basis sets show systematic convergence towards the complete basis set limit, both at the Hartree-Fock and correlated levels of theory, making them amenable to standard basis set extrapolation techniques. To assess the utility of the new basis sets, extensive coupled cluster composite thermochemistry calculations of ThF{sub n} (n = 2 − 4), ThO{sub 2}, and UF{sub n} (n = 4 − 6) have been carried out. After accurately accounting for valence and outer-core correlation, spin-orbit coupling, and even Lamb shift effects, the final 298 K atomization enthalpies of ThF{sub 4}, ThF{sub 3}, ThF{sub 2}, and ThO{sub 2} are all within their experimental uncertainties. Bond dissociation energies of ThF{sub 4} and ThF{sub 3}, as well as UF{sub 6} and UF{sub 5}, were similarly accurate. The derived enthalpies of formation for these species also showed a very satisfactory agreement with experiment, demonstrating that the new basis sets allow for the use of accurate composite schemes just as in molecular systems composed only of lighter atoms. The differences between the PP and DK3 approaches were found to increase with the change in formal oxidation state on the actinide atom, approaching 5-6 kcal/mol for the atomization enthalpies of ThF{sub 4} and ThO{sub 2}. The DKH3 atomization energy of ThO{sub 2} was calculated to be smaller than the DKH2

  19. DISPERSION ELEMENT CONSISTING OF CHROMIUM COATED UO$sup 2$ PARTICLES UNIFORMLY DISTRIBUTED IN A ZIRCALOY MATRIX

    DOE Patents [OSTI]

    Cain, F.M. Jr.; Eck, J.E.

    1963-05-01

    A nuclear fuel element consisting of metal coated UO/sub 2/ particles dispersed in a matrix of Zircalloy and having a cladding of Zircalloy is presented. (AEC)

  20. Differential total absorptivity solution to the radiative transfer equation for mixtures of combustion gases and soot

    SciTech Connect (OSTI)

    Bressloff, N.W.; Moss, J.B.; Rubini, P.A.

    1997-01-01

    The differential total absorptivity (DTA) solution to the radiative transfer equation, originally devised for combustion gases in the discrete transfer radiation model, is extended to mixtures of gaseous combustion products and soot. The method is compared to other solution techniques for representative mixtures across single lines of sight and across a layer bounded by solid walls. Intermediate soot loadings are considered such that the total radiance is not dominated by either the gaseous or soot components. The DTA solution is shown to yield excellent accuracy relative to a narrow-band solution, with a considerable saving in computational cost. Thus, explicit treatment of the source temperature dependence of absorption is successfully demonstrated without the need for spectral integration.

  1. The Influence of Chain Dynamics on the Far Infrared Spectrum of Liquid Methanol-Water Mixtures

    SciTech Connect (OSTI)

    Woods, K.N.; Wiedemann, H.; /SLAC, SSRL

    2005-07-12

    Far-infrared absorption spectroscopy has been used to study the low frequency ({center_dot} 100 cm{sup -1}) intermolecular modes of methanol in mixtures with water. With the aid of a first principles molecular dynamics simulation on an equivalent system, a detailed understanding about the origin of the low frequency IR modes has been established. The total dipole spectrum from the simulation suggests that the bands appearing in the experimental spectra at approximately 55 cm{sup -1} and 70 cm{sup -1} in methanol and methanol-rich mixtures arise from both fluctuations and torsional motions occurring within the methanol hydrogen-bonded chains. The influence of these modes on both the solvation dynamics and the relaxation mechanisms in the liquid are discussed within the context of recent experimental and theoretical results that have emerged from studies focusing on the short time dynamics in the methanol hydrogen bond network.

  2. Investigation of spontaneous combustion of hydrogen-oxygen mixture using DSMC simulation

    SciTech Connect (OSTI)

    Yang, Chao; Sun, Quanhua

    2014-12-09

    Combustion has been widely studied in the literature, but very little work was focused on the microscopic level. In this paper, the DSMC method is applied to simulate the microscopic behavior of the spontaneous combustion of hydrogen oxygen mixture. It is found that the ignition delay time of the mixture depends on many factors, such as the physical size, temperature, pressure, and dilution. Comparison between DSMC and CFD results shows that more atomic hydrogen is consumed through reaction HO{sub 2}+H→H{sub 2}+O{sub 2} at temperature close to the extended second explosion limit due to localized distribution of reactants, which may indicate the importance of microscopic behavior on low temperature combustion.

  3. Use of bioassays in assessing health hazards from complex mixtures: A RASH analysis

    SciTech Connect (OSTI)

    Jones, T.D.

    1993-10-14

    The Finney harmonic mean model for joint toxicity of ingredients in mixtures can be used to estimate the toxicity of the neat compound if one component can be substituted in potency-adjusted-doses for each of the other components. Chemical analysis data and relative potency values (computed according to the Rapid Screening of Hazard (RASH) method) were used to compare the toxicities as predicted from ingredients of cigarette smoke, PAHs in diesel exhaust, asphalt, coal tar, pitch, and creosote with the measured toxicities of the neat mixtures. Accuracy for cigarette smoke condensate, coal tar, pitch, and creosote were within a factor of three; asphalt within a factor of 18; but the PAC content of diesel particulate was inadequate to accurately describe the toxicity of diesel emissions.

  4. Electrochemical separation and concentration of sulfur containing gases from gas mixtures

    DOE Patents [OSTI]

    Winnick, Jack (3805 Woodrail-on-the-Green, Columbia, MO 65201)

    1981-01-01

    A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4.sup.= or, in the case of H.sub.2 S, to S.sup.=. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

  5. Catalytic igniters and their use to ignite lean hydrogen-air mixtures

    DOE Patents [OSTI]

    McLean, William J.; Thorne, Lawrence R.; Volponi, Joanne V.

    1988-01-01

    A catalytic igniter which can ignite a hydrogen-air mixture as lean as 5.5% hydrogen with induction times ranging from 20 s to 400 s, under conditions which may be present during a loss-of-liquid-coolant accident at a light water nuclear reactor comprises (a) a perforate catalytically active substrate, such as a platinum coated ceramic honeycomb or wire mesh screen, through which heated gases produced by oxidation of the mixture can freely flow and (b) a plurality of thin platinum wires mounted in a thermally conductive manner on the substrate and positioned thereon so as to be able to receive heat from the substrate and the heated gases while also in contact with unoxidized gases.

  6. Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures

    SciTech Connect (OSTI)

    Ploetz, Elizabeth A.; Smith, Paul E.

    2015-03-07

    Kirkwood-Buff or Fluctuation Solution Theory can be used to provide experimental pair fluctuations, and/or integrals over the pair distribution functions, from experimental thermodynamic data on liquid mixtures. Here, this type of approach is used to provide triplet and quadruplet fluctuations, and the corresponding integrals over the triplet and quadruplet distribution functions, in a purely thermodynamic manner that avoids the use of structure factors. The approach is then applied to binary mixtures of water + methanol and benzene + methanol over the full composition range under ambient conditions. The observed correlations between the different species vary significantly with composition. The magnitude of the fluctuations and integrals appears to increase as the number of the most polar molecule involved in the fluctuation or integral also increases. A simple physical picture of the fluctuations is provided to help rationalize some of these variations.

  7. The EPRI Laboratory experiments at ANL. [Vaporization of core-concrete mixtures

    SciTech Connect (OSTI)

    Roche, M.F.; Settle, J.L.; Leibowitz, L.; Johnson, C.E.; Ritzman, R.L.

    1987-10-28

    The vaporization of core-concrete mixtures is being measured using a transpiration method. Mixtures of stainless steel, concrete (limestone or basaltic) and urania (doped with La/sub 2/O/sub 3/, SrO, BaO, and ZrO/sub 2/) are vaporized at 2150 - 2400 K from a zirconia crucible into flowing He - 6% H/sub 2/ gas. Up to 600 ppM H/sub 2/O is added to the gas to fix the partial molar free energy of oxygen in the range -420 kJ to -550 kJ. The fraction of the sample that is vaporized is determined by weight change and by chemical analyses on the condensates that are collected in an Mo condenser tube. The results are being used to test the thermodynemic data base and the underlying assumptions of computer codes used for prediction of release during the severe accident. 13 refs., 2 tabs.

  8. Induced supersolidity in a mixture of normal and hard-core bosons

    SciTech Connect (OSTI)

    Mishra, Tapan; Das, B. P.; Pai, Ramesh V.

    2010-01-01

    We present a scenario where a supersolid is induced in one of the components of a mixture of two species bosonic atoms where there are no long-range interactions. We study a system of normal and hard-core boson mixture with only the former possessing long-range interactions. We consider three cases: the first where the total density is commensurate and the other two where it is incommensurate to the lattice. By suitable choices of the densities of normal and hard-core bosons and the interaction strengths between them, we predict that the charge density wave and the supersolid orders can be induced in the hard-core species as a result of the competing interatomic interactions.

  9. Consistent evaluation of GOSAT, SCIAMACHY, carbontracker, and MACC through comparisons to TCCON

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kulawik, S. S.; Wunch, D.; O'Dell, C.; Frankenberg, C.; Reuter, M.; Oda, T.; Chevallier, F.; Sherlock, V.; Buchwitz, M.; Osterman, G.; et al

    2015-06-22

    Consistent validation of satellite CO2 estimates is a prerequisite for using multiple satellite CO2 measurements for joint flux inversion, and for establishing an accurate long-term atmospheric CO2 data record. We focus on validating model and satellite observation attributes that impact flux estimates and CO2 assimilation, including accurate error estimates, correlated and random errors, overall biases, biases by season and latitude, the impact of coincidence criteria, validation of seasonal cycle phase and amplitude, yearly growth, and daily variability. We evaluate dry air mole fraction (XCO2) for GOSAT (ACOS b3.5) and SCIAMACHY (BESD v2.00.08) as well as the CarbonTracker (CT2013b) simulated CO2more » mole fraction fields and the MACC CO2 inversion system (v13.1) and compare these to TCCON observations (GGG2014). We find standard deviations of 0.9 ppm, 0.9, 1.7, and 2.1 ppm versus TCCON for CT2013b, MACC, GOSAT, and SCIAMACHY, respectively, with the single target errors 1.9 and 0.9 times the predicted errors for GOSAT and SCIAMACHY, respectively. When satellite data are averaged and interpreted according to error2 = a2+ b2 /n (where n are the number of observations averaged, a are the systematic (correlated) errors, and b are the random (uncorrelated) errors), we find that the correlated error term a = 0.6 ppm and the uncorrelated error term b = 1.7 ppm for GOSAT and a = 1.0 ppm, b = 1.4 ppm for SCIAMACHY regional averages. Biases at individual stations have year-to-year variability of ~ 0.3 ppm, with biases larger than the TCCON predicted bias uncertainty of 0.4 ppm at many stations. Using fitting software, we find that GOSAT underpredicts the seasonal cycle amplitude in the Northern Hemisphere (NH) between 46–53° N. In the Southern Hemisphere (SH), CT2013b underestimates the seasonal cycle amplitude. Biases are calculated for 3-month intervals and indicate the months that contribute to the observed amplitude differences. The seasonal cycle phase

  10. Consistent evaluation of GOSAT, SCIAMACHY, carbontracker, and MACC through comparisons to TCCON

    SciTech Connect (OSTI)

    Kulawik, S. S.; Wunch, D.; O'Dell, C.; Frankenberg, C.; Reuter, M.; Oda, T.; Chevallier, F.; Sherlock, V.; Buchwitz, M.; Osterman, G.; Miller, C.; Wennberg, P.; Griffith, D. W. T.; Morino, I.; Dubey, M.; Deutscher, N. M.; Notholt, J.; Hase, F.; Warneke, T.; Sussmann, R.; Robinson, J.; Strong, K.; Schneider, M.; Wolf, J.

    2015-06-22

    Consistent validation of satellite CO2 estimates is a prerequisite for using multiple satellite CO2 measurements for joint flux inversion, and for establishing an accurate long-term atmospheric CO2 data record. We focus on validating model and satellite observation attributes that impact flux estimates and CO2 assimilation, including accurate error estimates, correlated and random errors, overall biases, biases by season and latitude, the impact of coincidence criteria, validation of seasonal cycle phase and amplitude, yearly growth, and daily variability. We evaluate dry air mole fraction (XCO2) for GOSAT (ACOS b3.5) and SCIAMACHY (BESD v2.00.08) as well as the CarbonTracker (CT2013b) simulated CO2 mole fraction fields and the MACC CO2 inversion system (v13.1) and compare these to TCCON observations (GGG2014). We find standard deviations of 0.9 ppm, 0.9, 1.7, and 2.1 ppm versus TCCON for CT2013b, MACC, GOSAT, and SCIAMACHY, respectively, with the single target errors 1.9 and 0.9 times the predicted errors for GOSAT and SCIAMACHY, respectively. When satellite data are averaged and interpreted according to error2 = a2+ b2 /n (where n are the number of observations averaged, a are the systematic (correlated) errors, and b are the random (uncorrelated) errors), we find that the correlated error term a = 0.6 ppm and the uncorrelated error term b = 1.7 ppm for GOSAT and a = 1.0 ppm, b = 1.4 ppm for SCIAMACHY regional averages. Biases at individual stations have year-to-year variability of ~ 0.3 ppm, with biases larger than the TCCON predicted bias uncertainty of 0.4 ppm at many stations. Using fitting software, we find that GOSAT underpredicts the seasonal cycle amplitude in the Northern Hemisphere (NH) between 46–53° N. In the Southern Hemisphere (SH), CT2013b underestimates the

  11. Deliberate ignition of hydrogen-air-steam mixtures in condensing steam environments

    SciTech Connect (OSTI)

    Blanchat, T.K.; Stamps, D.W.

    1997-05-01

    Large scale experiments were performed to determine the effectiveness of thermal glow plug igniters to burn hydrogen in a condensing steam environment due to the presence of water sprays. The experiments were designed to determine if a detonation or accelerated flame could occur in a hydrogen-air-steam mixture which was initially nonflammable due to steam dilution but was rendered flammable by rapid steam condensation due to water sprays. Eleven Hydrogen Igniter Tests were conducted in the test vessel. The vessel was instrumented with pressure transducers, thermocouple rakes, gas grab sample bottles, hydrogen microsensors, and cameras. The vessel contained two prototypic engineered systems: (1) a deliberate hydrogen ignition system and (2) a water spray system. Experiments were conducted under conditions scaled to be nearly prototypic of those expected in Advanced Light Water Reactors (such as the Combustion Engineering (CE) System 80+), with prototypic spray drop diameter, spray mass flux, steam condensation rates, hydrogen injection flow rates, and using the actual proposed plant igniters. The lack of any significant pressure increase during the majority of the burn and condensation events signified that localized, benign hydrogen deflagration(s) occurred with no significant pressure load on the containment vessel. Igniter location did not appear to be a factor in the open geometry. Initially stratified tests with a stoichiometric mixture in the top showed that the water spray effectively mixes the initially stratified atmosphere prior to the deflagration event. All tests demonstrated that thermal glow plugs ignite hydrogen-air-steam mixtures under conditions with water sprays near the flammability limits previously determined for hydrogen-air-steam mixtures under quiescent conditions. This report describes these experiments, gives experimental results, and provides interpretation of the results. 12 refs., 127 figs., 16 tabs.

  12. Characterization and control of exhaust gas from diesel engine firing coal-water mixture

    SciTech Connect (OSTI)

    Samuel, E.A.; Gal, E.; Mengel, M.; Arnold, M.

    1990-03-01

    Exhaust from the GE-TS single cylinder diesel engine, fitted with hardened metal, and diamond-tipped metal fuel injection nozzles, and firing coal-water mixture (CWM) has been characterized with respect to gas composition, particulate size distribution, and particulate filtration characteristics. The measured flue gas compositions are roughly in keeping with results from combustion calculations. The time variations of the hydrocarbon, CO, and NO[sub x] concentrations are also understood in terms of known reaction mechanisms.

  13. Characterization and control of exhaust gas from diesel engine firing coal-water mixture

    SciTech Connect (OSTI)

    Samuel, E.A.; Gal, E.; Mengel, M.; Arnold, M.

    1990-03-01

    Exhaust from the GE-TS single cylinder diesel engine, fitted with hardened metal, and diamond-tipped metal fuel injection nozzles, and firing coal-water mixture (CWM) has been characterized with respect to gas composition, particulate size distribution, and particulate filtration characteristics. The measured flue gas compositions are roughly in keeping with results from combustion calculations. The time variations of the hydrocarbon, CO, and NO{sub x} concentrations are also understood in terms of known reaction mechanisms.

  14. Superconducting cable cooling system by helium gas and a mixture of gas and liquid helium

    DOE Patents [OSTI]

    Dean, John W.

    1977-01-01

    Thermally contacting, oppositely streaming cryogenic fluid streams in the same enclosure in a closed cycle that changes from a cool high pressure helium gas to a cooler reduced pressure helium fluid comprised of a mixture of gas and boiling liquid so as to be near the same temperature but at different pressures respectively in go and return legs that are in thermal contact with each other and in thermal contact with a longitudinally extending superconducting transmission line enclosed in the same cable enclosure that insulates the line from the ambient at a temperature T.sub.1. By first circulating the fluid in a go leg from a refrigerator at one end of the line as a high pressure helium gas near the normal boiling temperature of helium; then circulating the gas through an expander at the other end of the line where the gas becomes a mixture of reduced pressure gas and boiling liquid at its boiling temperature; then by circulating the mixture in a return leg that is separated from but in thermal contact with the gas in the go leg and in the same enclosure therewith; and finally returning the resulting low pressure gas to the refrigerator for compression into a high pressure gas at T.sub.2 is a closed cycle, where T.sub.1 >T.sub.2, the temperature distribution is such that the line temperature is nearly constant along its length from the refrigerator to the expander due to the boiling of the liquid in the mixture. A heat exchanger between the go and return lines removes the gas from the liquid in the return leg while cooling the go leg.

  15. Dielectric breakdown properties of hot SF{sub 6}/He mixtures predicted from basic data

    SciTech Connect (OSTI)

    Wang, Weizong; State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an Shaanxi 710049 ; Tu, Xin; Mei, Danhua; Rong, Mingzhe

    2013-11-15

    Sulfur hexafluoride (SF{sub 6}) gas has a quite high global warming potential and hence it is required that applying any substitute for SF{sub 6} gas. Much interest in the use of a mixture of helium and SF{sub 6} as arc quenching medium was investigated indicating a higher recovery performance of arc interruption than that of pure SF{sub 6}. It is known that the electrical breakdown in a circuit breaker after arc interruption occurs in a hot gas environment, with a complicated species composition because of the occurrence of dissociation and other reactions. The likelihood of breakdown relies on the electron interactions with all these species. The critical reduced electric field strength (the field at which breakdown can occur, relative to the number density) of hot SF{sub 6}/He mixtures related to the dielectric recovery phase of a high voltage circuit breaker is calculated in the temperature range from 300 K to 3500 K. The critically reduced electric field strength of these mixtures was obtained by balancing electron generation and loss mechanisms. These were evaluated using the electron energy distribution function derived from the Boltzmann transport equation under the two-term approximation. Good agreement was found between calculations for pure hot SF{sub 6} and pure hot He and experimental results and previous calculations. The addition of He to SF{sub 6} was found to decrease the critical reduced electric field strength in the whole temperature range due to a lack of electron impact attachment process for helium regardless its high ionization potential. This indicates that not the behaviour of dielectric strength but possibly the higher energy dissipation capability caused mainly by light mass and high specific heat as well as thermal conductivity of atomic helium contributes most to a higher dielectric recovery performance of arc interruption for SF{sub 6}/He mixtures.

  16. Development characteristics of polymethyl methacrylate in alcohol/water mixtures. A lithography and Raman spectroscopy study

    SciTech Connect (OSTI)

    Ocola, Leonidas E.; Costales, Maya; Gosztola, David J.

    2015-12-10

    Poly methyl methacrylate (PMMA) is the most widely used resist in electron beam lithography. This paper reports on a lithography and Raman spectroscopy study of development characteristics of PMMA in methanol, ethanol and isopropanol mixtures with water as developers. We have found that ethanol/water mixtures at a 4:1 volume ratio are an excellent, high resolution, non-toxic, developer for exposed PMMA. We also have found that the proper methodology to use so that contrast data can be compared to techniques used in polymer science is not to rinse the developed resist but to immediately dry with nitrogen. Our results show how powerful simple lithographic techniques can be used to study ternary polymer solvent solutions when compared to other techniques used in the literature. Raman data shows that there both tightly bonded –OH groups and non-hydrogen bonded –OH groups play a role in the development of PMMA. Tightly hydrogen bonded –OH groups show pure Lorentzian Raman absorption only in the concentration ranges where ethanol/water and IPA/water mixtures are effective developers of PMMA. The impact of the understanding these interactions may open doors to a new developers of other electron beam resists that can reduce the toxicity of the waste stream.

  17. Thermal reactivity of mixtures of VDDT lubricant and simulated Hanford Tank 241-SY-101 waste

    SciTech Connect (OSTI)

    Scheele, R.D.; Panisko, F.E.; Sell, R.L.

    1996-09-01

    To predict whether the Polywater G lubricant residue remaining in the velocity, density, and temperature tree (VDTT) and the waste in Tank 241-SY-101 (101SY) will be chemically compatible with wastes in 101SY when two VDTTs are removed from 101SY, the Pacific Northwest National Laboratory measured the thermal reaction sensitivity of the lubricant residue. This residue is a simulated 101SY waste containing the organic surrogate trisodium hydroxyethyl-ethylenediaminetriacetate (Na{sub 3}HEDTA) and two simulated potential waste and lubricant residue mixtures containing 10 and 90 percent lubricant residue. These studies using accelerating rate calorimetry found that the residue did not react at a rate exceeding 0.1 J/min/g mixture up to 190 degrees C with simulated 101SY waste containing Na{sub 3}HEDTA as the organic surrogate. Also, the dried lubricant residue did not decompose exothermically at a rate exceeding 0.1 J/min/g. Using guidelines used by the chemical industry, these results indicate that the lubricant residue should not react as a significant rate with the waste in 101SY when added to the waste at 60 degrees C or when the mixture cools to the waste`s temperature of 48 degrees C.

  18. Establishment and growth of experimental grass species mixtures on coal mine sites reclaimed with municipal biosolids

    SciTech Connect (OSTI)

    Halofsky, J.E.; McCormick, L.H.

    2005-05-01

    The Surface Mining Control and Reclamation Act of 1977 requires that coal mine sites in the United States be reclaimed to establish vegetative cover that is diverse, native, and capable of plant succession. However, there is a question as to whether vegetation established on coal mine sites reclaimed with biosolids is diverse and capable of plant succession. The influx of nutrients with the addition of biosolids leads to long-term dominance by early-successional species, most notably grasses, and consequently, a low establishment of woody and volunteer species. Additionally, many grass species commonly planted in reclamation have aggressive growth habits that lead to their dominance in coal mine plant communities. The establishment and growth of selected grass mixes was evaluated to determine whether alternative grass mixes would be less competitive with woody and volunteer species as compared to commonly used grass mixes. Percent vegetative cover, species richness, and the survival of direct-seeded woody species were assessed for each treatment grass mixture. It was found that Poa compress and a mixture of P. compress, Panicum virgatum, and Trifolium repens provided adequate coverage while still allowing the highest species richness and survival of woody species. Use of these species mixtures in coal mine reclamation with biosolids in the eastern United States would likely lead to establishment of a more species-rich plant community with a greater woody species component while still providing erosion control and site protection.

  19. ACAA pavement manual. Recommended practice: Coal fly ash in pozzolanic stabilized mixtures for flexible pavement systems

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The purpose of this manual is to guide pavement design engineers, materials engineers, and construction managers in the design and construction of flexible pavement systems in which low- to high-strength Pozzolanic Stabilized Mixtures' ( PSMs') serve as base layers. A PSM incorporates coal fly ash in combination with activators, aggregates and water. Each of three design methods is useful for determining the thickness of a PSM base layer for a flexible pavement system: Method A - American Association of State Highway and Transportation Officials (AASHTO) flexible pavement design procedures, using structural layer coefficients; Method B - Mechanistic pavement design procedures, using resilient modulus values for the pavement layers; and Method C - A combination of Method A and Method B, using mechanistic design concepts for determining pavement layer coefficients. PSMs offer several advantages: PSMs are strong, durable mixtures using locally available materials; PSMs are economically competitive with properly engineered full-depth asphalt or crushed stone base courses; PSMs are suited to stabilizing recycled base mixtures; and PSMs are placed and compacted with conventional construction equipment. To provide the needed guidance for capturing the long-term service and cost-saving features of a PSM design, this manual details the following: a procedure for proportioning PSMs; thickness design procedures which include base layer and asphalt wearing course; and proven techniques for PSM mixing and base layer construction.

  20. Mixtures of SF6 CO2 as working fluids for geothermal power plants

    SciTech Connect (OSTI)

    Yin, Hebi; Sabau, Adrian S; Conklin, Jim; McFarlane, Joanna; Qualls, A L

    2013-01-01

    In this paper, supercritical/transcritical thermodynamic cycles using mixtures of SF6 CO2 as working fluids were investigated for geothermal power plants. The system of equations that described the thermodynamic cycle was solved using a Newton-Raphson method. This approach allows a high computational efficiency even when thermophysical properties of the working fluid depend strongly on the temperature and pressure. The thermophysical properties of the mixtures were obtained from National Institute of Standards and Technology (NIST) REFPROP software and constituent cubic equations. The local heat transfer coefficients in the heat exchangers were calculated based on the local properties of the working fluid, geothermal brine, and cooling water. The heat exchanger areas required were calculated. Numerical simulation results presented for different cycle configurations were used to assess the effects of the SF6 fraction in CO2, brine temperature, and recuperator size on the cycle thermal efficiency, and size of heat exchangers for the evaporator and condenser. Optimal thermodynamic cycle efficiencies were calculated to be approximately 13 and 15% mole content of SF6 in a CO2- SF6 mixture for a Brayton cycle and a Rankine cycle, respectively.

  1. Communication: Unusual structure and transport in ionic liquid-hexane mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liang, Min; Khatun, Sufia; Castner, Edward W.

    2015-03-28

    Ionic liquids having a sufficiently amphiphilic cation can dissolve large volume fractions of alkanes, leading to mixtures with intriguing properties on molecular length scales. The trihexyl(tetradecyl)phosphonium cation paired with the bis(trifluoromethylsulfonyl)amide anion provides an ionic liquid that can dissolve large mole fractions of hexane. We present experimental results on mixtures of n-C6D14 with this ionic liquid. High- energy X-ray scattering studies reveal a persistence of the characteristic features of ionic liquid structure even for 80% dilution with n-C6D14. NMR self-diffusion results reveal decidedly non-hydrodynamic behavior where the self-diffusion of the neutral, non-polar n-C6D14 is on average a factor of 21more » times faster than for the cation. Exploitation of the unique structural and transport properties of these mixtures may lead to new opportunities for designer solvents for enhanced chemical reactivity and interface science.« less

  2. Velocity of large bubble in liquid-solid mixture in a vertical tube

    SciTech Connect (OSTI)

    Hamaguchi, H.; Sakaguchi, T.

    1995-09-01

    The upward movement of a large bubble in a stationary mixture of liquid and solid is one of the most fundamental phenomena of gas-liquid-solid three phase slug flow in a vertical tube. The purpose of this study is to make clear the characteristic of the rising velocity of this fundamental flow experimentally. The rising velocity of a large bubble V in a liquid-solid mixture was measured and compared with the velocity V{sub o} in a liquid (without solid). The experimental results were correlated using a non-dimensional velocity V{sup *}(=V/V{sub o}), and the following results were obtained. It was found that the characteristic of the rising velocity differs according to the tube diameter and the liquid viscosity, or the Galileo number in the non-dimensional expression. It can be classified into two regimes. (i) When the liquid viscosity is large (or the tube diameter is small), V{sup *} decreases linearly against the volumetric solid fraction {epsilon} of the mixture. (ii) When the viscosity is small, on the other hand, the relation between V{sup *} and {epsilon} is not linear. This classification can be explained by the results in the previous papers by the authors dealing with a large bubble in a liquid.

  3. Persistent activation of DNA damage signaling in response to complex mixtures of PAHs in air particulate matter

    SciTech Connect (OSTI)

    Jarvis, Ian W.H.; Bergvall, Christoffer; Bottai, Matteo; Westerholm, Roger; Stenius, Ulla; Dreij, Kristian

    2013-02-01

    Complex mixtures of polycyclic aromatic hydrocarbons (PAHs) are present in air particulate matter (PM) and have been associated with many adverse human health effects including cancer and respiratory disease. However, due to their complexity, the risk of exposure to mixtures is difficult to estimate. In the present study the effects of binary mixtures of benzo[a]pyrene (BP) and dibenzo[a,l]pyrene (DBP) and complex mixtures of PAHs in urban air PM extracts on DNA damage signaling was investigated. Applying a statistical model to the data we observed a more than additive response for binary mixtures of BP and DBP on activation of DNA damage signaling. Persistent activation of checkpoint kinase 1 (Chk1) was observed at significantly lower BP equivalent concentrations in air PM extracts than BP alone. Activation of DNA damage signaling was also more persistent in air PM fractions containing PAHs with more than four aromatic rings suggesting larger PAHs contribute a greater risk to human health. Altogether our data suggests that human health risk assessment based on additivity such as toxicity equivalency factor scales may significantly underestimate the risk of exposure to complex mixtures of PAHs. The data confirms our previous findings with PAH-contaminated soil (Niziolek-Kierecka et al., 2012) and suggests a possible role for Chk1 Ser317 phosphorylation as a biological marker for future analyses of complex mixtures of PAHs. -- Highlights: ? Benzo[a]pyrene (BP), dibenzo[a,l]pyrene (DBP) and air PM PAH extracts were compared. ? Binary mixture of BP and DBP induced a more than additive DNA damage response. ? Air PM PAH extracts were more potent than toxicity equivalency factor estimates. ? Larger PAHs (> 4 rings) contribute more to the genotoxicity of PAHs in air PM. ? Chk1 is a sensitive marker for persistent activation of DNA damage signaling from PAH mixtures.

  4. Detection of a new 'nematic-like' phase in liquid crystal-amphiphile mixture by differential scanning calorimetry

    SciTech Connect (OSTI)

    Dan, Kaustabh Roy, Madhusudan Datta, Alokmay

    2014-04-24

    Differential Scanning Calorimetry (DSC) studies on phase transitions of the pure liquid crystalline material N-4-methoxybenzylidene-4-butylaniline (MBBA) and mixtures of MBBA and the amphiphile Stearic Acid (StA) show significant changes in the behavior of mixture from pure MBBA, as regards the nematic-isotropic (N-I) transition temperature (T{sub c}) and other thermodynamic parameters like enthalpy, specific heat and activation energy with concentration of StA. In particular, the convexity of the Arrhenius plot in pure MBBA vanishes with StA concentration pointing to the formation of a new, perhaps 'nematic-like', phase in the mixtures.

  5. Accelerated screening methods for determining chemical and thermal stability of refrigerant-lubricant mixtures, Part II: Experimental comparison and verification of methods. Volume 2, In situ conductivity data

    SciTech Connect (OSTI)

    Kauffman, R.

    1995-09-01

    Data are presented for the accelerated screening methods for determining chemical and thermal stability of refrigerant-lubricant mixtures.

  6. Effect of CO{sub 2} air mixtures on the pH of air-stripped water...

    Office of Scientific and Technical Information (OSTI)

    pH of air-stripped water at Treatment Facility D Citation Details In-Document Search Title: Effect of COsub 2 air mixtures on the pH of air-stripped water at Treatment Facility ...

  7. Ignition of a combustible gas mixture by a high-current electric discharge in a closed volume

    SciTech Connect (OSTI)

    Berezhetskaya, N. K.; Gritsinin, S. I.; Kop'ev, V. A.; Kossyi, I. A.; Kuleshov, P. S.; Popov, N. A.; Starik, A. M.; Tarasova, N. M.

    2009-06-15

    Results are presented from experimental studies and numerical calculations of the ignition of a stoichiometric CH{sub 4}: O{sub 2} gas mixture by a high-current gliding discharge. It is shown that this type of discharge generates an axially propagating thermal wave (precursor) that penetrates into the gas medium and leads to fast gas heating. This process is followed by an almost simultaneous ignition of the gas mixture over the entire reactor volume.

  8. Formative time of breakdown modeled for the ignition of air and n-butane mixtures using effective ionization coefficients

    SciTech Connect (OSTI)

    Kudryavtsev, A. A.; Popugaev, S. D.; Demidov, V. I.; Adams, S. F.; Jiao, C. Q.

    2008-12-15

    It is shown that simulations of ignition by electric arc discharge in n-butane and air mixtures have interesting features, which deviate from results obtained by simple extension of calculations based on methanelike fuels. In particular, it is demonstrated that lowering the temperature of the n-butane-air mixture before ignition under certain conditions will actually decrease the ignition stage time as well as the required electric field.

  9. SEPARATION OF POLONIUM, PROTACTINIUM OR MIXTURES THEREOF IN AQUEOUS SOLUTION FROM BISMUTH, LEAD, ZIRCONIUM AND/OR COLUMBIUM VALUES

    DOE Patents [OSTI]

    Van Winkle, Q.; Kraus, K.A.

    1959-10-27

    A process is presented for separating polonium, protactinium, or mixtures thereof in aqueous solution from bismuth, zirconium, lead, and niobium values contained in the solution. The method comprises providing hydrochloric acid in the solution in a concentration of at least 5N. contacting the aqueous solution with a substantially waterimmiscible organic solvent such as diisopropyl ketone, and separating the aqueous phase containing the bismuth, zirconium, lead, and niobium from the organic extract phase containing the polonium, protactinium, or mixture thereof.

  10. An investigation of condensation from steam-gas mixtures flowing downward inside a vertical tube

    SciTech Connect (OSTI)

    Kuhn, S.Z.; Schrock, V.E.; Peterson, P.F.

    1995-09-01

    Previous experiments have been carried out by Vierow, Ogg, Kageyama and Siddique for condensation from steam/gas mixtures in vertical tubes. In each case the data scatter relative to the correlation was large and there was not close agreement among the three investigations. A new apparatus has been designed and built using the lessons learned from the earlier studies. Using the new apparatus, an extensive new data base has been obtained for pure steam, steam-air mixtures and steam-helium mixtures. Three different correlations, one implementing the degradation method initially proposed by Vierow and Schrock, a second diffusion layer theory initially proposed by Peterson, and third mass transfer conductance model are presented in this paper. The correlation using the simple degradation factor method has been shown, with some modification, to give satisfactory engineering accuracy when applied to the new data. However, this method is based on very simplified arguments that do not fully represent the complex physical phenomena involved. Better representation of the data has been found possible using modifications of the more complex and phenomenologically based method which treats the heat transfer conductance of the liquid film in series with the conductance on the vapor-gas side with the latter comprised of mass transfer and sensible heat transfer conductance acting in parallel. The mechanistic models, based on the modified diffusion layer theory or classical mass transfer theory for mass transfer conductance with transpiration successfully correlate the data for the heat transfer of vapor-gas side. Combined with the heat transfer of liquid film model proposed by Blangetti, the overall heat transfer coefficients predicted by the correlations from mechanistic models are in close agreement with experimental values.

  11. Fluidization characteristics of power-plant fly ashes and fly ash-charcoal mixtures. [MS Thesis; 40 references

    SciTech Connect (OSTI)

    Nguyen, C.T.

    1980-03-01

    As a part of the continuing research on aluminum recovery from fly ash by HiChlor process, a plexiglass fluidization column system was constructed for measurement of fluidization parameters for power-plant fly ashes and fly ash-charcoal mixtures. Several bituminous and subbituminous coal fly ashes were tested and large differences in fluidization characteristics were observed. Fly ashes which were mechanically collected fluidized uniformly at low gas flow rates. Most fly ashes which were electrostatically precipitated exhibited channeling tendency and did not fluidize uniformly. Fluidization characteristics of electrostatically collected ashes improve when the finely divided charcoal powder is added to the mixture. The fluidization of the mixture was aided initially by a mechanical stirrer. Once the fluidization had succeeded, the beds were ready to fluidize without the assistance of a mechanical action. Smooth fluidization and large bed expansion were usually observed. The effects of charcoal size and aspect ratio on fluidization characteristics of the mixtures were also investigated. Fluidization characteristics of a fly ash-coal mixture were tested. The mixture fluidized only after being oven-dried for a few days.

  12. Pitting of iron and carbon steel in mixtures of methanol-water

    SciTech Connect (OSTI)

    Pischik, L.M.; Novitskii, V.S.; Lysak, T.A.

    1987-01-01

    Since the technological media used for the production of methanol contains dissolved carbon dioxide and trace quantities of formic acid, pit formation on Armco iron (State Standard (GOST) 3836-73) and carbon steel St 3 (GOST 390-71) was studied in pure mixtures of rectified methanol and water in the presence of CO/sub 2/ at 30/sup 0/ and 60/sup 0/. This was done in order to determine the nature and concentration of active components and also to see what were the effects of water (5-30% by mass), metal purity, and temperature on the kinetic parameters of pit formation.

  13. SOLAR MIXTURE OPACITY CALCULATIONS USING DETAILED CONFIGURATION AND LEVEL ACCOUNTING TREATMENTS

    SciTech Connect (OSTI)

    Blancard, Christophe; Cosse, Philippe; Faussurier, Gerald

    2012-01-20

    An opacity model (OPAS) combining detailed configuration and level accounting treatments has been developed to calculate radiative opacity of plasmas in local thermodynamic equilibrium. The model is presented and used to compute spectral opacities of a solar mixture. Various density-temperature couples have been considered from the solar center up to the vicinity of the radiative/convective zone interface. For a given solar thermodynamic path, OPAS calculations are compared to Opacity Project (OP) and OPAL data. Rosseland mean opacity values are in very good agreement over all the considered solar thermodynamic path, while OPAS and OP spectral opacities of each element may vary considerably. Main sources of discrepancy are discussed.

  14. A mixture model for shock compression of porous multi-component reactive materials

    SciTech Connect (OSTI)

    Baer, M.R.

    1993-07-01

    A multiphase mixture model is presented to describe shock compression of highly porous, multi-component powders. Volume fractions are represented as independent kinematic variables and thermodynamically-admissible phase interaction constitutive models are formulated in the context of a three phase system. Numerical solutions of the multiphase flow equations simulated impact on a porous layer of mixed powders of Al and Fe{sub 2}O{sub 3}. The multiphase model predicts dispersive compaction waves which have features similar to observed time-resolved pressure measurements.

  15. Multiple recycle of REMIX fuel based on reprocessed uranium and plutonium mixture in thermal reactors

    SciTech Connect (OSTI)

    Fedorov, Y.S.; Bibichev, B.A.; Zilberman, B.Y.; Baryshnikov, M.V.; Kryukov, O.V.; Khaperskaya, A.V.

    2013-07-01

    REMIX fuel consumption in WWER-1000 is considered. REMIX fuel is fabricated from non-separated mixture of uranium and plutonium obtained during NPP spent fuel reprocessing with further makeup by enriched natural uranium. It makes possible to recycle several times the total amount of uranium and plutonium obtained from spent fuel with 100% loading of the WWER-1000 core. The stored SNF could be also involved in REMIX fuel cycle by enrichment of regenerated uranium. The same approach could be applied to closing the fuel cycle of CANDU reactors. (authors)

  16. Criticality characteristics of mixtures of plutonium, silicon dioxide, Nevada tuff, and water

    SciTech Connect (OSTI)

    Sanchez, R.; Myers, W.; Hayes, D.

    1997-01-01

    The nuclear criticality characteristics of mixtures of plutonium, silicon dioxide, and water (Part A) or plutonium, silicon dioxide, Nevada Yucca Mountain tuff, and water (Part B) have become of interest because of the appearance of recent papers on the subject. These papers postulate that if excess weapons plutonium is vitrified into a silicate log and buried underground, a self-sustaining neutron chain reaction may develop given sufficient time and interaction with the burial medium. Moreover, given specific geologic actions resulting in postulated configurations, the referenced papers state that nuclear explosions could occur with multi-kiloton yields or yields equivalent to hundreds of tons of TNT.

  17. Pervaporation separation of ethanol-water mixtures using polyethylenimine composite membranes

    DOE Patents [OSTI]

    Neidlinger, H.H.; Schissel, P.O.; Orth, R.A.

    1985-06-19

    Synthetic, organic, polymeric membranes were prepared from polyethylenimine for use with pervaporation apparatus in the separation of ethanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanate solution, after which the prepared membrane was heat-cured. The resulting membrane structures showed high selectivity in permeating ethanol or water over a wide range of feed concentrations. 2 tabs.

  18. Pervaporation separation of ethanol-water mixtures using polyethylenimine composite membranes

    DOE Patents [OSTI]

    Neidlinger, H.H.; Schissel, P.O.; Orth, R.A.

    1987-04-21

    Synthetic, organic, polymeric membranes were prepared from polyethylenimine for use with pervaporation apparatus in the separation of ethanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanate solution, after which the prepared membrane was heat-cured. The resulting membrane structures showed high selectivity in permeating ethanol or water over a wide range of feed concentrations.

  19. Pervaporation separation of ethanol-water mixtures using polyacrylic acid composite membranes

    DOE Patents [OSTI]

    Neidlinger, H.H.

    1985-05-07

    Synthetic, organic, polymeric membranes were prepared from polyacrylic acid salts for use with pervaporation apparatus in the separation of ehthanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanata solution, after which the prepared membrane was heat-cured. The resulting membrane structure showed selectivity in permeating water over a wide range of feed concentrations. 4 tabs.

  20. Pervaporation separation of ethanol-water mixtures using polyethylenimine composite membranes

    DOE Patents [OSTI]

    Neidlinger, Hermann H.; Schissel, Paul O.; Orth, Richard A.

    1987-01-01

    Synthetic, organic, polymeric membranes were prepared from polyethylenimine for use with pervaporation apparatus in the separation of ethanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanate solution, after which the prepared membrane was heat-cured. The resulting membrane structures showed high selectivity in permeating ethanol or water over a wide range of feed concentrations.

  1. Process and catalyst for converting synthesis gas to liquid hydrocarbon mixture

    DOE Patents [OSTI]

    Rao, V. Udaya S.; Gormley, Robert J.

    1987-01-01

    Synthesis gas containing CO and H.sub.2 is converted to a high-octane hydrocarbon liquid in the gasoline boiling point range by bringing the gas into contact with a heterogeneous catalyst including, in physical mixture, a zeolite molecular sieve, cobalt at 6-20% by weight, and thoria at 0.5-3.9% by weight. The contacting occurs at a temperature of 250.degree.-300.degree. C., and a pressure of 10-30 atmospheres. The conditions can be selected to form a major portion of the hydrocarbon product in the gasoline boiling range with a research octane of more than 80 and less than 10% by weight aromatics.

  2. Synthesis of Cycloprodigiosin Identifies the Natural Isolate as a Scalemic Mixture

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Johnson, Rebecca E.; de Rond, Tristan; Lindsay, Vincent N. G.; Keasling, Jay D.; Sarpong, Richmond

    2015-07-17

    We prepared the enantiomers of the natural product cycloprodigiosin using an expedient five-step synthetic sequence that takes advantage of a Schöllkopf–Barton–Zard (SBZ) pyrrole annulation with a chiral isocyanoacetate and a nitrocyclohexene derivative. Using chiral HPLC and X-ray crystallographic analyses of the synthetically prepared material and natural isolate (isolated from the marine bacterium Pseudoalteromonas rubra), naturally occurring cycloprodigiosin was determined to be a scalemic mixture occurring in an enantiomeric ratio of 83:17 (R)/(S) at C4'.

  3. Energetically consistent collisional gyrokinetics

    SciTech Connect (OSTI)

    Burby, J. W.; Brizard, A. J.; Qin, H.

    2015-10-01

    We present a formulation of collisional gyrokinetic theory with exact conservation laws for energy and canonical toroidal momentum. Collisions are accounted for by a nonlinear gyrokinetic Landau operator. Gyroaveraging and linearization do not destroy the operator's conservation properties. Just as in ordinary kinetic theory, the conservation laws for collisional gyrokinetic theory are selected by the limiting collisionless gyrokinetic theory. (C) 2015 AIP Publishing LLC.

  4. Self-consistent

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Dams | Department of Energy Self-charging Tracking Device Monitors Fish Migration through Hydroelectric Dams Self-charging Tracking Device Monitors Fish Migration through Hydroelectric Dams August 18, 2016 - 9:45am Addthis A rainbow trout, one of several species of fish being tracked using PNNL's new injectable, self-charging acoustic fish tags. These devices allow scientists to research how fish migrate through waterways when encountering hydrokinetic dams. | Photo courtesy of PNNL A

  5. Probability density function characterization for aggregated large-scale wind power based on Weibull mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gomez-Lazaro, Emilio; Bueso, Maria C.; Kessler, Mathieu; Martin-Martinez, Sergio; Zhang, Jie; Hodge, Bri -Mathias; Molina-Garcia, Angel

    2016-02-02

    Here, the Weibull probability distribution has been widely applied to characterize wind speeds for wind energy resources. Wind power generation modeling is different, however, due in particular to power curve limitations, wind turbine control methods, and transmission system operation requirements. These differences are even greater for aggregated wind power generation in power systems with high wind penetration. Consequently, models based on one-Weibull component can provide poor characterizations for aggregated wind power generation. With this aim, the present paper focuses on discussing Weibull mixtures to characterize the probability density function (PDF) for aggregated wind power generation. PDFs of wind power datamore » are firstly classified attending to hourly and seasonal patterns. The selection of the number of components in the mixture is analyzed through two well-known different criteria: the Akaike information criterion (AIC) and the Bayesian information criterion (BIC). Finally, the optimal number of Weibull components for maximum likelihood is explored for the defined patterns, including the estimated weight, scale, and shape parameters. Results show that multi-Weibull models are more suitable to characterize aggregated wind power data due to the impact of distributed generation, variety of wind speed values and wind power curtailment.« less

  6. Measurement of the Melting Point Temperature of Several Lithium-Sodium-Beryllium Fluoride Salt (Flinabe) Mixtures

    SciTech Connect (OSTI)

    McDonald, J.M; Nygren, R.E.; Lutz, T.J.; Tanaka, T.J; Ulrickson, M.A.; Boyle, T.J.; Troncosa, K.P.

    2005-04-15

    The molten salt Flibe, a combination of lithium and beryllium fluorides studied for molten salt fission reactors, has been proposed as a breeder and coolant for fusion applications. The melting points of 2LiF-BeF{sub 2} and LiF-BeF{sub 2} are 460 deg. C and 363 deg. C, but LiF-BeF{sub 2} is rather viscous and has less lithium for breeding. In the Advanced Power Extraction (APEX) Program, concepts with a free flowing liquid for the first wall and blanket were investigated. Flinabe (a mixture of LiF, BeF{sub 2} and NaF) was selected for a molten salt design because a melting temperature below 350 deg. C appeared possible and this provided an attractive operating temperature window for a reactor. To confirm that a ternary salt with a low melting temperature existed, several combinations of the fluoride salts, LiF, NaF and BeF{sub 2}, were melted in a stainless steel crucible under vacuum. One had an apparent melting temperature of 305 deg. C. The test system, preparation of the mixtures, melting procedures and temperature curves for the melting and cooling are presented along with the apparent melting points. Thermal modeling of the salt pool and crucible is reported in an accompanying paper.

  7. A simple correlation to predict the hydrate quadruple point temperature for LPG mixtures

    SciTech Connect (OSTI)

    Yousif, M.H.

    1997-12-31

    A simple correlation to predict the hydrate upper quadruple point temperature, T{sub Q2B} for liquefied petroleum gas (LPG) mixtures was developed. It was developed for use as a part of a modeling and control system for a LPG pipeline in Russia. For performance reasons, a simple hydrate prediction correlation was required that could be incorporated into the real-time and predictive pipeline simulation models. The operating company required both real time and predictive simulation tools be developed to assist in preventing hydrate blockages while minimizing the use of methanol. In this particular pipeline, LPG fluid moves through the pipeline as a single phase liquid above its bubble point pressure. Because of the very low flow rates, the trace amount of water present in the LPG drops out and creates water pools at low points in the pipeline. The pipeline pressure and seasonal temperatures are conducive for hydrate formation in these pools. Methanol and monoethylene glycol (MEG) are injected in the pipeline to help prevent hydrate formation. The newly developed correlation predicts the hydrate quadruple point temperature using only the composition and the molecular weight of the LPG mixture while retaining an accuracy comparable to the statistical thermodynamic models throughout the range of normal operating conditions.

  8. Benchmarking density functionals for hydrogen-helium mixtures with quantum Monte Carlo: Energetics, pressures, and forces

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Clay, Raymond C.; Holzmann, Markus; Ceperley, David M.; Morales, Maguel A.

    2016-01-19

    An accurate understanding of the phase diagram of dense hydrogen and helium mixtures is a crucial component in the construction of accurate models of Jupiter, Saturn, and Jovian extrasolar planets. Though DFT based rst principles methods have the potential to provide the accuracy and computational e ciency required for this task, recent benchmarking in hydrogen has shown that achieving this accuracy requires a judicious choice of functional, and a quanti cation of the errors introduced. In this work, we present a quantum Monte Carlo based benchmarking study of a wide range of density functionals for use in hydrogen-helium mixtures atmore » thermodynamic conditions relevant for Jovian planets. Not only do we continue our program of benchmarking energetics and pressures, but we deploy QMC based force estimators and use them to gain insights into how well the local liquid structure is captured by di erent density functionals. We nd that TPSS, BLYP and vdW-DF are the most accurate functionals by most metrics, and that the enthalpy, energy, and pressure errors are very well behaved as a function of helium concentration. Beyond this, we highlight and analyze the major error trends and relative di erences exhibited by the major classes of functionals, and estimate the magnitudes of these e ects when possible.« less

  9. A Universal Method for Fishing Target Proteins from Mixtures of Biomolecules using Isothermal Titration Calorimetry

    SciTech Connect (OSTI)

    Zhou, X.; Sun, Q; Kini, R; Sivaraman, J

    2008-01-01

    The most challenging tasks in biology include the identification of (1) the orphan receptor for a ligand, (2) the ligand for an orphan receptor protein, and (3) the target protein(s) for a given drug or a lead compound that are critical for the pharmacological or side effects. At present, several approaches are available, including cell- or animal-based assays, affinity labeling, solid-phase binding assays, surface plasmon resonance, and nuclear magnetic resonance. Most of these techniques are not easy to apply when the target protein is unknown and the compound is not amenable to labeling, chemical modification, or immobilization. Here we demonstrate a new universal method for fishing orphan target proteins from a complex mixture of biomolecules using isothermal titration calorimetry (ITC) as a tracking tool. We took snake venom, a crude mixture of several hundred proteins/peptides, as a model to demonstrate our proposed ITC method in tracking the isolation and purification of two distinct target proteins, a major component and a minor component. Identities of fished out target proteins were confirmed by amino acid sequencing and inhibition assays. This method has the potential to make a significant advancement in the area of identifying orphan target proteins and inhibitor screening in drug discovery and characterization.

  10. Evaluation of leaching and ecotoxicological properties of sewage sludge-fly ash mixtures

    SciTech Connect (OSTI)

    C.A. Papadimitriou; I. Haritou; P. Samaras; A.I. Zouboulis

    2008-03-15

    The objectives of this work were the evaluation of sewage sludge stabilization by mixing with fly ash, the examination of the physicochemical properties of the produced materials and their leachates and the assessment of their environmental impact by the evaluation of the ecotoxic characteristics. Different ratios of fly ash and sewage sludge (1:1, 1:2, 1:3, 1:6, and 1:9) were mixed for 48 and 72 h. After mixing, the liquid phase of the produced materials was analyzed for total coliforms and Escherichia coli, while the solid residue was dried and tested for the leaching characteristics by the application of TCLP and EN 12457-2 standard leaching methods. Furthermore, the produced leachates were analyzed for their content of specific metals, while their ecotoxicological characteristics were determined by the use of toxicity bioassays, using the marine photobacterium Vibrio fischeri and the crustacean Daphnia magna. The phytotoxicity of sewage sludge-fly ash mixtures was also determined by utilizing seeds of three higher plants (one monocotyl and two dicotyls). The mixtures exhibited low metal leaching in all cases, while the ecotoxic properties increased with the increase of fly ash/sewage sludge ratio. The phytotoxicity testing showed increased root length growth inhibition.

  11. Calculation of combined diffusion coefficients in SF{sub 6}-Cu mixtures

    SciTech Connect (OSTI)

    Zhong, Linlin; Wang, Xiaohua Rong, Mingzhe Wu, Yi; Murphy, Anthony B.

    2014-10-15

    Diffusion coefficients play an important role in the description of the transport of metal vapours in gas mixtures. This paper is devoted to the calculation of four combined diffusion coefficients, namely, the combined ordinary diffusion coefficient, combined electric field diffusion coefficient, combined temperature diffusion coefficient, and combined pressure diffusion coefficient in SF{sub 6}-Cu mixtures at temperatures up to 30 000 K. These four coefficients describe diffusion due to composition gradients, applied electric fields, temperature gradients, and pressure gradients, respectively. The influence of copper fluoride and sulfide species on the diffusion coefficients is shown to be negligible. The effect of copper proportion and gas pressures on these diffusion coefficients is investigated. It is shown that increasing the proportion of copper generally increases the magnitude of the four diffusion coefficients, except for copper mole fractions of 90% or more. It is further found that increasing the pressure reduces the magnitude of the coefficients, except for the combined temperature diffusion coefficient, and shifts the maximum of all four coefficients towards higher temperatures. The results presented in this paper can be applied to the simulation of high-voltage circuit breaker arcs.

  12. Method and apparatus for controlling fuel/air mixture in a lean burn engine

    DOE Patents [OSTI]

    Kubesh, John Thomas; Dodge, Lee Gene; Podnar, Daniel James

    1998-04-07

    The system for controlling the fuel/air mixture supplied to a lean burn engine when operating on natural gas, gasoline, hydrogen, alcohol, propane, butane, diesel or any other fuel as desired. As specific humidity of air supplied to the lean burn engine increases, the oxygen concentration of exhaust gas discharged by the engine for a given equivalence ratio will decrease. Closed loop fuel control systems typically attempt to maintain a constant exhaust gas oxygen concentration. Therefore, the decrease in the exhaust gas oxygen concentration resulting from increased specific humidity will often be improperly attributed to an excessive supply of fuel and the control system will incorrectly reduce the amount of fuel supplied to the engine. Also, the minimum fuel/air equivalence ratio for a lean burn engine to avoid misfiring will increase as specific humidity increases. A relative humidity sensor to allow the control system to provide a more enriched fuel/air mixture at high specific humidity levels. The level of specific humidity may be used to compensate an output signal from a universal exhaust gas oxygen sensor for changing oxygen concentrations at a desired equivalence ratio due to variation in specific humidity specific humidity. As a result, the control system will maintain the desired efficiency, low exhaust emissions and power level for the associated lean burn engine regardless of the specific humidity level of intake air supplied to the lean burn engine.

  13. Optimizing cellulase mixtures for maximum rate and extent of hydrolysis. Final report

    SciTech Connect (OSTI)

    Walker, L.P.; Wilson, D.B.

    1997-03-01

    Pure Thomomonospora fusca and Trichoderma reesei cellulases and their mixtures were studied to determine the optimal set of cellulases for biomass hydrolysis. The objective was to reduce the cost of cellulase in order to help lower the overall processing cost of the enzymatic conversion of biomass cellulose to sugars, which can then be fermented into fuels and other energy-intensive chemicals. No cellulase mixture was obtained that was much better than the best commercially available preparations. However, the study has greatly increased knowledge of T. fusca cellulases, synergism, and cellulose binding, and provide evidence that future work will produce cellulases with higher activity in degrading crystalline cellulose. T. fusca cellulases may have good industrial potential because: (1) they are compatible with industrial processes that operate at elevated temperatures; (2) they retain 90% of their activity under neutral or basic conditions, which provides a great deal of flexibility in reactor design and operation; and (3) tools are now available to change specific amino acid residues in their catalytic domains and to assess how these changes influence catalysis. 74 refs.

  14. The puzzling first-order phase transition in water–glycerol mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Popov, Ivan; Greenbaum; Sokolov, Alexei P.; Feldman, Yuri

    2015-06-05

    Over the last decade, discussions on a possible liquid-liquid transition (LLT) have strongly intensified. The LLT proposed by several authors focused mostly on explaining the anomalous properties of water in a deeply supercooled state. However, there have been no direct experimental observations yet of LLT in bulk water in the so-called 'no man's land', where water exists only in the crystalline states. Recently, a novel experimental strategy to detect LLT in water has been employed using water-glycerol (W-G) mixtures, because glycerol can generate a strong hindrance for water crystallization. As a result, the observed first-order phase transition at a concentrationmore » of glycerol around c(g) approximate to 20 mol% was ascribed to the LLT. Here we show unambiguously that the first order phase transition in W-G mixtures is caused by the ice formation. We provide additional dielectric measurements, applying specific annealing temperature protocols in order to reinforce this conclusion. We also provide an explanation, why such a phase transition occurs only in the narrow glycerol concentration range. These results clearly demonstrate the danger of analysis of phase-separating liquids to gain better insights into water dynamics. These liquids have complex phase behavior that is affected by temperature, phase stability and segregation, viscosity and nucleation, and finally by crystallization, that might lead to significant misinterpretations.« less

  15. The puzzling first-order phase transition in water–glycerol mixtures

    SciTech Connect (OSTI)

    Popov, Ivan; Greenbaum , Anna; Sokolov, Alexei P.; Feldman, Yuri

    2015-06-05

    Over the last decade, discussions on a possible liquid-liquid transition (LLT) have strongly intensified. The LLT proposed by several authors focused mostly on explaining the anomalous properties of water in a deeply supercooled state. However, there have been no direct experimental observations yet of LLT in bulk water in the so-called 'no man's land', where water exists only in the crystalline states. Recently, a novel experimental strategy to detect LLT in water has been employed using water-glycerol (W-G) mixtures, because glycerol can generate a strong hindrance for water crystallization. As a result, the observed first-order phase transition at a concentration of glycerol around c(g) approximate to 20 mol% was ascribed to the LLT. Here we show unambiguously that the first order phase transition in W-G mixtures is caused by the ice formation. We provide additional dielectric measurements, applying specific annealing temperature protocols in order to reinforce this conclusion. We also provide an explanation, why such a phase transition occurs only in the narrow glycerol concentration range. These results clearly demonstrate the danger of analysis of phase-separating liquids to gain better insights into water dynamics. These liquids have complex phase behavior that is affected by temperature, phase stability and segregation, viscosity and nucleation, and finally by crystallization, that might lead to significant misinterpretations.

  16. DESIGN OF HYBRID POWER GENERATION CYCLES EMPLOYING AMMONIA-WATER-CARBON DIOXIDE MIXTURES

    SciTech Connect (OSTI)

    Ashish Gupta

    2002-06-01

    A power cycle generates electricity from the heat of combustion of fossil fuels. Its efficiency is governed by the cycle configuration, the operating parameters, and the working fluid. Typical. designs use pure water as the fluid. in the last two decades, hybrid cycles based on ammonia-water, and carbon-dioxide mixtures as the working fluid have been proposed. These cycles may improve the power generation efficiency of Rankine cycles by 15%. Improved efficiency is important for two reasons: it lowers the cost of electricity being produced, and by reducing the consumption of fossil fuels per unit power, it reduces the generation of environmental pollutants. The goal of this project is to develop a computational optimization-based method for the design and analysis of hybrid bottoming power cycles to minimize the usage of fossil fuels. The development of this methodology has been achieved by formulating this task as that of selecting the least cost power cycle design from all possible configurations. They employ a detailed thermodynamic property prediction package they have developed under a DOE-FETC grant to model working fluid mixtures. Preliminary results from this work suggest that a pure NH{sub 3} cycle outperforms steam or the expensive Kalina cycle.

  17. Self-Consistent Full-Wave/Fokker-Planck Calculations for Ion Cyclotron Heating in Non-Maxwellian Plasmas

    SciTech Connect (OSTI)

    Jaeger, E.F.; Berry, L.A.; Batchelor, D.B.; Carter, M.D.; D'Azevedo, E.; Harvey, R.W.; Myra, J.R.; D'Ippolito, D.A.; Dumont, R.J.; Smithe, D.N.; Bonoli, P.T.; Wright, J.C.

    2005-09-26

    Self-consistent solutions for the wave electric field and particle distribution function are calculated for ion cyclotron heating in non-Maxwellian plasmas. The all-orders wave solver AORSA is generalized to treat non-thermal velocity distributions arising from fusion reactions, neutral beam injection, and wave driven diffusion in velocity space. Quasi-linear diffusion coefficients are derived directly from the wave electric fields and used to calculate velocity distribution functions with the CQL3D Fokker-Planck code. Self-consistent results are obtained by iterating the full-wave and Fokker-Planck solutions.

  18. Description of the yrast states in {sup 24}Mg by the self-consistent 3D-cranking model

    SciTech Connect (OSTI)

    Oi, Makito

    2005-11-01

    With the self-consistent 3D-cranking model, the ground-state rotational band in {sup 24}Mg is analyzed. The role of triaxial deformation is discussed, in particular in a description of the observed two I{sup {pi}}=8{sup +} states.

  19. Crystallization of synthetic coal-petcoke slag mixtures simulating those encountered in entrained bed slagging gasifiers

    SciTech Connect (OSTI)

    Jinichiro Nakano; Seetharaman Sridhar; Tyler Moss; James Bennett; Kyei-Sing Kwong

    2009-09-15

    Commercial entrained bed slagging gasifiers use a carbon feedstock of coal, petcoke, or combinations of them to produce CO and H{sub 2}. These carbon sources contain mineral impurities that liquefy during gasification and flow down the gasification sidewall, interacting with the refractory linear and solidifying in the cooler zones of the gasifier. Proper slag flow is critical to good gasifier operation. A hot-stage confocal scanning laser microscope (CSLM) was used to analyze the kinetic behavior of slag crystallization for a range of synthetic coal-petcoke mixtures. On the basis of the observed precipitation during cool down studies in the 1200-1700{sup o}C temperature range, a time-temperature-transformation (TTT) diagram was created. The crystallization studies were conducted with a CO/CO{sub 2} (=1.8) corresponding to a gasification PO{sub 2} of approximately 10-8 atm at 1500{sup o}C. Ash chemistries were chosen such that they correspond to coal-petcoke feedstock mixtures with coal ash amounts of 0, 10, 30, 50, 70, and 100% (by weight), with the balance being petcoke ash. The TTT diagram exhibited two crystallization areas, one above and one below 1350{sup o}C. At the nose of the higher temperature curves, karelianite (V{sub 2}O{sub 3}) crystallization occurred and was fastest for a 30% coal-petcoke ash mixture. The second nose was located below 1350{sup o}C and had spinel-type phases that formed at 1200{sup o}C, in which preferred atomic occupation at the octahedral and tetrahedral sites varied depending upon the ash composition. At 1200{sup o}C, an Al-rich spinel formed for 100% coal slag and a Fe-rich spinel formed in petcoke-enriched slags. The addition of petcoke ash to coal ash promoted crystallization in the slag, with additional crystalline phases, such as V-rich spinel, forming at the lower temperatures. These phases were not predicted using commercially available databases. 30 refs., 18 figs.

  20. Thermodynamic properties of isobutane-isopentane mixtures from -40 to +600/sup 0/F and up to 1000 psia

    SciTech Connect (OSTI)

    Gallagher, J.S.; Levelt Sengers, J.M.H.; Morrison, G.; Sengers, J.V.

    1984-07-01

    The Helmholtz function for pure isobutane from a recent correlation has been converted to a dimensionless form and a pressure-enthalpy chart based on this function has been generated by computer. A Helmholtz function for mixtures of isobutane and isopentane has been formed based upon the dimensionless isobutane Helmholtz function as the reference fluid by means of an extended corresponding-states principle. Scarce literature data for saturation properties of isopentane, and new data for its vapor pressure and for the critical line of the mixture were used. The accuracy of the surface was checked by comparing with literature enthalpy data and with new VLE data for the mixture. Tables of thermodynamic properties have been generated from this Helmholtz function for the 0.1 mole fraction isopentane-in-isobutane mixture in the single-phase region and on the dew- and bubble-point curves, together with properties of the coexisting phase. A pressure-enthalpy chart for this mixture has also been generated.

  1. The development and application of the chemical mixture methodology in analysis of potential health impacts from airborne release in emergencies

    SciTech Connect (OSTI)

    Yu, Xiao-Ying; Petrocchi, Achille J.; Craig, Douglas K.; Glantz, Clifford S.; Trott, Donna M.; Ciolek, John T.; Lu, Po-Yung; Bond, Jayne-Anne; Tuccinardi, Thomas E.; Bouslaugh, Philip R.

    2010-07-15

    The Chemical Mixture Methodology (CMM) is used for emergency response and safety planning by the U.S. Department of Energy, its contractors, and other private and public sector organizations. The CMM estimates potential health impacts on individuals and their ability to take protective actions as a result of exposure to airborne chemical mixtures. They are based on the concentration of each chemical in the mixture at a designated receptor location, the protective action criteria (PAC) providing chemical-specific exposure limit values, and the health code numbers (HCNs) that identify the target organ groupings that may be impacted by exposure to each chemical in a mixture. The CMM has been significantly improved since its introduction more than 10 years ago. Major enhancements involve the expansion of the number of HCNs from 44 to 60 and inclusion of updated PAC values based on an improved development methodology and updates in the data used to derive the PAC values. Comparisons between the 1999 and 2009 versions of the CMM show potentially substantial changes in the assessment results for selected sets of chemical mixtures. In particular, the toxic mode hazard indices (HIs) and target organ HIs are based on more refined acute HCNs, thereby improving the quality of chemical consequence assessment, emergency planning, and emergency response decision making. Seven hypothetical chemical storage and processing scenarios are used to demonstrate how the CMM is applied in emergency planning and hazard assessment.

  2. Methodology for Predicting Flammable Gas Mixtures in Double Contained Receiver Tanks [SEC 1 THRU SEC 3

    SciTech Connect (OSTI)

    HEDENGREN, D.C.

    2000-01-31

    This methodology document provides an estimate of the maximum concentrations of flammable gases (ammonia, hydrogen, and methane) which could exist in the vapor space of a double-contained receiver tank (DCRT) from the simultaneous saltwell pumping of one or more single-shell tanks (SSTs). This document expands Calculation Note 118 (Hedengren et a1 1997) and removes some of the conservatism from it, especially in vapor phase ammonia predictions. The methodologies of Calculation Note 118 (Hedengren et a1 1997) are essentially identical for predicting flammable gas mixtures in DCRTs from saltwell pumping for low DCRT ventilation rates, 1e, < 1 cfm. The hydrogen generation model has also been updated in the methodology of this document.

  3. Universal nucleic acids sample preparation method for cells, spores and their mixture

    DOE Patents [OSTI]

    Bavykin, Sergei

    2011-01-18

    The present invention relates to a method for extracting nucleic acids from biological samples. More specifically the invention relates to a universal method for extracting nucleic acids from unidentified biological samples. An advantage of the presently invented method is its ability to effectively and efficiently extract nucleic acids from a variety of different cell types including but not limited to prokaryotic or eukaryotic cells and/or recalcitrant organisms (i.e. spores). Unlike prior art methods which are focused on extracting nucleic acids from vegetative cell or spores, the present invention effectively extracts nucleic acids from spores, multiple cell types or mixtures thereof using a single method. Important that the invented method has demonstrated an ability to extract nucleic acids from spores and vegetative bacterial cells with similar levels effectiveness. The invented method employs a multi-step protocol which erodes the cell structure of the biological sample, isolates, labels, fragments nucleic acids and purifies labeled samples from the excess of dye.

  4. A Hypothetical Burning-Velocity Formula for Very Lean Hydrogen-Air Mixtures

    SciTech Connect (OSTI)

    Williams, Forman; Williams, Forman A; Grcar, Joseph F

    2008-06-30

    Very lean hydrogen-air mixtures experience strong diffusive-thermal types of cellular instabilities that tend to increase the laminar burning velocity above the value that applies to steady, planar laminar flames that are homogeneous in transverse directions. Flame balls constitute an extreme limit of evolution of cellular flames. To account qualitatively for the ultimate effect of diffusive-thermal instability, a model is proposed in which the flame is a steadily propagating, planar, hexagonal, close-packed array of flame balls, each burning as if it were an isolated, stationary, ideal flame ball in an infinite, quiescent atmosphere. An expression for the laminar burning velocity is derived from this model, which theoretically may provide an upper limit for the experimental burning velocity.

  5. Stimulated Raman scattering of laser dye mixtures dissolved in multiple scattering media

    SciTech Connect (OSTI)

    Yashchuk, V P; Komyshan, A O; Tikhonov, E A; Olkhovyk, L A

    2014-10-31

    Stimulated Raman scattering (SRS) of a mixture of rhodamine 6G and pyrromethene 605 laser dyes in vesicular films is studied. It is shown that a peculiar interaction of dyes occurs under conditions of multiple scattering of light from vesicles. This interaction manifests itself as SRS excitation of one of the dyes by random lasing of the other dye, provided that the random lasing spectrum overlaps the Stokes lines of the first dye. In addition, there is energy transfer between molecules of these dyes if their luminescence and absorption spectra overlap. The results obtained confirm that the mechanism of SRS from laser dyes in multiple scattering media is similar to that in coherent-active Raman spectroscopy. These results extend the possibility of determining the vibrational spectrum of dye molecules from their secondary radiation in these media. (nonlinear optical phenomena)

  6. Electrolyte Solvation and Ionic Association. VI. Acetonitrile-Lithium Salt Mixtures. Highly Associated Salts Revisited

    SciTech Connect (OSTI)

    Borodin, Oleg; Han, Sang D.; Daubert, James S.; Seo, D. M.; Yun, Sung-Hyun; Henderson, Wesley A.

    2015-01-14

    Molecular dynamics (MD) simulations of acetonitrile (AN) mixtures with LiBF4, LiCF3SO3 and LiCF3CO2 provide extensive details about the molecular- and mesoscale-level solution interactions and thus explanations as to why these electrolytes have very different thermal phase behavior and electrochemical/physicochemical properties. The simulation results are in full accord with a previous experimental study of these (AN)n-LiX electrolytes. This computational study reveals how the structure of the anions strongly influences the ionic association tendency of the ions, the manner in which the aggregate solvates assemble in solution and the length of time in which the anions remain coordinated to the Li+ cations in the solvates which result in dramatic variations in the transport properties of the electrolytes.

  7. Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixtures

    SciTech Connect (OSTI)

    Procacci, Piero

    2015-04-21

    In this paper, we present an improved method for obtaining unbiased estimates of the free energy difference between two thermodynamic states using the work distribution measured in nonequilibrium driven experiments connecting these states. The method is based on the assumption that any observed work distribution is given by a mixture of Gaussian distributions, whose normal components are identical in either direction of the nonequilibrium process, with weights regulated by the Crooks theorem. Using the prototypical example for the driven unfolding/folding of deca-alanine, we show that the predicted behavior of the forward and reverse work distributions, assuming a combination of only two Gaussian components with Crooks derived weights, explains surprisingly well the striking asymmetry in the observed distributions at fast pulling speeds. The proposed methodology opens the way for a perfectly parallel implementation of Jarzynski-based free energy calculations in complex systems.

  8. Adsorption process to recover hydrogen from feed gas mixtures having low hydrogen concentration

    DOE Patents [OSTI]

    Golden, Timothy Christopher; Weist, Jr., Edward Landis; Hufton, Jeffrey Raymond; Novosat, Paul Anthony

    2010-04-13

    A process for selectively separating hydrogen from at least one more strongly adsorbable component in a plurality of adsorption beds to produce a hydrogen-rich product gas from a low hydrogen concentration feed with a high recovery rate. Each of the plurality of adsorption beds subjected to a repetitive cycle. The process comprises an adsorption step for producing the hydrogen-rich product from a feed gas mixture comprising 5% to 50% hydrogen, at least two pressure equalization by void space gas withdrawal steps, a provide purge step resulting in a first pressure decrease, a blowdown step resulting in a second pressure decrease, a purge step, at least two pressure equalization by void space gas introduction steps, and a repressurization step. The second pressure decrease is at least 2 times greater than the first pressure decrease.

  9. Metastable alloy materials produced by solid state reaction of compacted, mechanically deformed mixtures

    DOE Patents [OSTI]

    Atzmon, M.; Johnson, W.L.; Verhoeven, J.D.

    1987-02-03

    Bulk metastable, amorphous or fine crystalline alloy materials are produced by reacting cold-worked, mechanically deformed filamentary precursors such as metal powder mixtures or intercalated metal foils. Cold-working consolidates the metals, increases the interfacial area, lowers the free energy for reaction, and reduces at least one characteristic dimension of the metals. For example, the grains of powder or the sheets of foil are clad in a container to form a disc. The disc is cold-rolled between the nip of rollers to form a flattened disc. The grains are further elongated by further rolling to form a very thin sheet of a lamellar filamentary structure containing filaments having a thickness of less than 0.01 microns. Thus, diffusion distance and time for reaction are substantially reduced when the flattened foil is thermally treated in oven to form a composite sheet containing metastable material dispersed in unreacted polycrystalline material. 4 figs.

  10. Measurement of solubility, viscosity, and density of R-410A refrigerant/lubricant mixtures

    SciTech Connect (OSTI)

    Cavestri, R.C.; Schafer, W.R.

    2000-07-01

    Measurements of the refrigerant vapor/liquid lubricant equilibrium viscosity reduction of four polyolester lubricants, viscosity grades 32 and 68 ISO VG, with the refrigerant R-410A were taken between {minus}13 F and 257 F and up to 700 psia. A high and low miscibility grade polyolester was analyzed for each viscosity. The viscosity, density, and composition of the solubilized gas mixture in solution with the lubricant was obtained with constant gas vapor composition in the viscometer head space. This refrigerant has a very small temperature glide but is considered a zeotropic blend nonetheless. The fractionation data presented were obtained from individual isothermal measurements. The isotherm for each temperature detailed the composition of the equilibrium gas fractionation of R-32 and R-125 in the lubricant, mixed vapor pressure, concentration of the total mixed blend (percent by weight) in the lubricant, and viscosity in centipoise (cP) and centistokes (cSt).

  11. Seeded Growth of Monodisperse Gold Nanorods Using Bromide-Free Surfactant Mixtures

    SciTech Connect (OSTI)

    Ye, XC; Gao, YZ; Chen, J; Reifsnyder, DC; Zheng, C; Murray, CB

    2013-05-01

    We demonstrate for the first time that monodisperse gold nanorods (NRs) with broadly tunable dimensions and longitudinal surface plasmon resonances can be synthesized using a bromide-free surfactant mixture composed of alkyltrimethylammonium chloride and sodium oleate. It is found that uniform gold NRs can be obtained even with an iodide concentration approaching 100 mu M in the growth solution. In contrast to conventional wisdom, our results provide conclusive evidence that neither bromide as the surfactant counterion nor a high concentration of bromide ions in the growth solution is essential for gold NR formation. Correlated electron microscopy study of three-dimensional structures of gold NRs reveals a previously unprecedented octagonal prismatic structure enclosed predominantly by high index {310} crystal planes. These findings should have profound implications for a comprehensive mechanistic understanding of seeded growth of anisotropic metal nanocrystals.

  12. Sulfur dioxide capture in the combustion of mixtures of lime, refuse-derived fuel, and coal

    SciTech Connect (OSTI)

    Churney, K.L.; Buckley, T.J. . Center for Chemical Technology)

    1990-06-01

    Chlorine and sulfur mass balance studies have been carried out in the combustion of mixtures of lime, refuse-derived fuel, and coal in the NIST multikilogram capacity batch combustor. The catalytic effect of manganese dioxide on the trapping of sulfur dioxide by lime was examined. Under our conditions, only 4% of the chlorine was trapped in the ash and no effect of manganese dioxide was observed. Between 42 and 14% of the total sulfur was trapped in the ash, depending upon the lime concentration. The effect of manganese dioxide on sulfur capture was not detectable. The temperature of the ash was estimated to be near 1200{degrees}C, which was in agreement with that calculated from sulfur dioxide capture thermodynamics. 10 refs., 12 figs., 10 tabs.

  13. Characterization of the homogeneous tissue mixture approximation in breast imaging dosimetry

    SciTech Connect (OSTI)

    Sechopoulos, Ioannis; Bliznakova, Kristina; Qin Xulei; Fei Baowei; Feng, Steve Si Jia

    2012-08-15

    Purpose: To compare the estimate of normalized glandular dose in mammography and breast CT imaging obtained using the actual glandular tissue distribution in the breast to that obtained using the homogeneous tissue mixture approximation. Methods: Twenty volumetric images of patient breasts were acquired with a dedicated breast CT prototype system and the voxels in the breast CT images were automatically classified into skin, adipose, and glandular tissue. The breasts in the classified images underwent simulated mechanical compression to mimic the conditions present during mammographic acquisition. The compressed thickness for each breast was set to that achieved during each patient's last screening cranio-caudal (CC) acquisition. The volumetric glandular density of each breast was computed using both the compressed and uncompressed classified images, and additional images were created in which all voxels representing adipose and glandular tissue were replaced by a homogeneous mixture of these two tissues in a proportion corresponding to each breast's volumetric glandular density. All four breast images (compressed and uncompressed; heterogeneous and homogeneous tissue) were input into Monte Carlo simulations to estimate the normalized glandular dose during mammography (compressed breasts) and dedicated breast CT (uncompressed breasts). For the mammography simulations the x-ray spectra used was that used during each patient's last screening CC acquisition. For the breast CT simulations, two x-ray spectra were used, corresponding to the x-ray spectra with the lowest and highest energies currently being used in dedicated breast CT prototype systems under clinical investigation. The resulting normalized glandular dose for the heterogeneous and homogeneous versions of each breast for each modality was compared. Results: For mammography, the normalized glandular dose based on the homogeneous tissue approximation was, on average, 27% higher than that estimated using the

  14. Organic carbon aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, R.W.

    1998-04-28

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes {<=}1000 {angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  15. Organic carbon aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, Richard W.

    1998-04-28

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes .ltoreq.1000 .ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  16. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, Richard W.

    1996-01-01

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes .ltoreq.1000.ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  17. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, R.W.

    1995-12-19

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes{<=}1000{angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  18. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, Richard W.

    1995-01-01

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes.ltoreq.1000.ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  19. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, R.W.

    1996-09-17

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes {<=}1,000{angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1,050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  20. Mixtures of ions and amphiphilic molecules in slit-like pores: A density functional approach

    SciTech Connect (OSTI)

    Pizio, O.; Rżysko, W. Sokołowski, S.; Sokołowska, Z.

    2015-04-28

    We investigate microscopic structure and thermodynamic properties of a mixture that contains amphiphilic molecules and charged hard spheres confined in slit-like pores with uncharged hard walls. The model and the density functional approach are the same as described in details in our previous work [Pizio et al., J. Chem. Phys. 140, 174706 (2014)]. Our principal focus is in exploring the effects brought by the presence of ions on the structure of confined amphiphilic particles. We have found that for some cases of anisotropic interactions, the change of the structure of confined fluids occurs via the first-order transitions. Moreover, if anions and cations are attracted by different hemispheres of amphiphiles, a charge at the walls appears at the zero value of the wall electrostatic potential. For a given thermodynamic state, this charge is an oscillating function of the pore width.

  1. Performance of winter rape (Brassica napus) based fuel mixtures in diesel engines

    SciTech Connect (OSTI)

    Wagner, G.L.; Peterson, C.L.

    1982-01-01

    Winter rape is well adapted to the Palouse region of Northern Idaho and Eastern Washington. Nearly all of the current US production is grown in this region. Yields of 2200 to 2700 kg/ha with 45 percent oil content are common. Even though present production only 2000 to 2500 ha per year, the long history of production and good yields of oil make winter rape the best potential fuel vegetable oil crop for the region. Winter rape oil is more viscous than sunflower oil (50 cSt at 40/sup 0/C for winter rape and 35 cSt at 40/sup 0/C for sunflower oil) and about 17 times more viscous than diesel. The viscosity of the pure oil has been found too high for operation in typical diesel injector systems. Mixtures and/or additives are essential if the oil is to be a satisfactory fuel. Conversely, the fatty acid composition of witer rape oils is such that it is potentially a more favorable fuel because of reduced rates of oxidation and thermal polymerization. This paper will report on results of short and long term engine tests using winter rape, diesel, and commercial additives as the components. Selection of mixtures for long term screening tests was based on laboratory studies which included high temperature oxidation studies and temperature-viscosity data. Fuel temperature has been monitored at the outlet of the injector nozzle on operating engines so that viscosity comparisons at the actual injector temperature can be made. 1 figure, 3 tables.

  2. The analog of Blanc`s law for drift velocities of electrons in gas mixtures in weakly ionized plasma

    SciTech Connect (OSTI)

    Chiflikian, R.V.

    1995-10-01

    The analog of Blanc`s law for drift velocities of electrons in multicomponent gas mixtures in weakly ionized spatially homogeneous low-temperature plasma is derived. The obtained approximate-analytical expressions are valid for average electron energy in the 1--5 eV range typical for plasma conditions of low-pressure direct current (DC) discharges. The accuracy of these formulas is {plus_minus}5%. The analytical criterion of the negative differential conductivity (NDC) of electrons in binary mixtures of gases is obtained. NDC of electrons is predicted in He:Kr and He:Xe rare gas mixtures. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  3. On stability of self-sustained volume discharge in working mixtures of non-chain electrochemical HF laser

    SciTech Connect (OSTI)

    Belevtsev, A A; Kazantsev, S Yu; Konov, I G; Lebedev, A A; Podlesnykh, S V; Firsov, K N

    2011-08-31

    Burning voltage of a self-sustained volume discharge (SSVD) is studied as a function of the specific energy deposition in SF{sub 5} with C{sub 2}-H{sub 6} and H{sub 2} mixtures, which are working media of a non-chain electrochemical HF laser. It is established that the voltage rises linearly with increasing the specific energy deposition, the relative voltage rise in the SF{sub 6}-C{sub 2}H{sub 6} mixtures being noticeably higher than in pure SF{sub 6} and SF{sub 6}-H{sub 2} mixtures. An assumption is suggested and substantiated on determining the role of molecule dissociation by the electron impact leading to the observed voltage rise. From experimental data we have found approximate energy expenditures of producing dissociation fragments including atomic fluorine in a discharge in pure SF{sub 6}: E-tilde {sub d}(F)= 5{+-}1 eV. The values of E{sub d} well agree with literature data obtained by other experimental methods. A conclusion is drawn that the dissociation process is the main mechanism limiting the current density, which implies SSVD realisation without preliminary gas ionisation in working mixtures of a non-chain HF laser and determines a higher stability of the volume discharge in mixtures of SF{sub 6} with hydrocarbons (deuterocarbons) as compared to mixtures with hydrogen (deuterium). A method is suggested and substantiated for numerical estimation of the limitation effect of the current density and its influence on the SSVD stability. (control of radiation parameters)

  4. Coal fly ash and phospho-gypsum mixture as an amendment to improve rice paddy soil fertility

    SciTech Connect (OSTI)

    Lee, Y.B.; Ha, H.S.; Lee, C.H.; Kim, P.J.

    2008-04-15

    Rice is a plant that requires high levels of silica (Si). As a silicate NOD source to rice, coal fly ash (hereafter, fly ash), which has an alkaline pH and high available silicate and boron (B) contents, was mixed with phosphor-gypsum (hereafter, gypsum, 50%, wt wt{sup -1}), a by-product from the production of phosphate fertilizer, to improve the fly ash limitation. Field experiments were carried out to evaluate the effect of the mixture on soil properties and rice (Oryza sativa) productivity in silt loam (SiL) and loamy sand (LS) soils to which 0 (FG 0), 20 (FG 20), 40 (FG 40), and 60 (FG 60) Mg ha{sup -1} were added. The mixture increased the amount of available silicate and exchangeable calcium (Ca) contents in the soils and the uptake of silicate by rice plant. The mixture did not result in accumulation of heavy metals in soil and an excessive uptake of heavy metals by the rice grain. The available boron content in soil increased with the mixture application levels up to 1.42 mg kg{sup -1} following the application of 60 Mg ha{sup -1} but did not show toxicity. The mixture increased significantly rice yield and showed the highest yields following the addition of 30-40 Mg ha{sup -1} in two soils. It is concluded that the fly ash and gypsum mixture could be a good source of inorganic soil amendments to restore the soil nutrient balance in rice paddy soil.

  5. The different varieties of the Suyama-Yamaguchi consistency relation and its violation as a signal of statistical inhomogeneity

    SciTech Connect (OSTI)

    Rodrguez, Yeinzon; Almeida, Juan P. Beltrn; Valenzuela-Toledo, Csar A. E-mail: juanpbeltran@uan.edu.co

    2013-04-01

    We present the different consistency relations that can be seen as variations of the well known Suyama-Yamaguchi (SY) consistency relation ?{sub NL}?((6/5)f{sub NL}){sup 2}, the latter involving the levels of non-gaussianity f{sub NL} and ?{sub NL} in the primordial curvature perturbation ?. It has been (implicitly) claimed that the following variation: ?{sub NL}(k{sub 1},k{sub 3})?((6/5)){sup 2}f{sub NL}(k{sub 1})f{sub NL}(k{sub 3}), which we call ''the fourth variety'', in the collapsed (for ?{sub NL}) and squeezed (for f{sub NL}) limits is always satisfied independently of any physics; however, the proof depends sensitively on the assumption of scale-invariance (expressing this way the fourth variety of the SY consistency relation as ?{sub NL}?((6/5)f{sub NL}){sup 2}) which only applies for cosmological models involving Lorentz-invariant scalar fields (at least at tree level), leaving room for a strong violation of this variety of the consistency relation when non-trivial degrees of freedom, for instance vector fields, are in charge of the generation of the primordial curvature perturbation. With this in mind as a motivation, we explicitly state, in the first part of this work, under which conditions the SY consistency relation has been claimed to hold in its different varieties (implicitly) presented in the literature since its inception back in 2008; as a result, we show for the first time that the variety ?{sub NL}(k{sub 1},k{sub 1})?((6/5)f{sub NL}(k{sub 1})){sup 2}, which we call ''the fifth variety'', is always satisfied even when there is strong scale-dependence and high levels of statistical anisotropy as long as statistical homogeneity holds: thus, an observed violation of this specific variety would prevent the comparison between theory and observation, shaking this way the foundations of cosmology as a science. In the second part, we concern about the existence of non-trivial degrees of freedom, concretely vector fields for which the levels of non

  6. Neutrinoless double {beta}-decay nuclear matrix elements within the SRQRPA with self-consistent short range correlations

    SciTech Connect (OSTI)

    Benes, Petr [IEAP, Czech Technical University (Czech Republic); Simkovic, Fedor [Department of Nuclear Physics and Biophysics, Comenius University, Mlynska dolina, SK-84248 Bratislava (Slovakia); Bogolyubov Laboratory of Theoretical Physics, JINR, Dubna (Russian Federation)

    2009-11-09

    The nuclear matrix elements M{sup 0v} of the neutrinoless double beta decay (0v{beta}{beta}-decay) are systematically evaluated using the self-consistent renormalized quasiparticle random phase approximation (SRQRPA). The residual interaction and the two-nucleon short-range correlations are derived from the charge-dependent Bonn (CD-Bonn) potential. The importance of further progress in the calculation of the 0v{beta}{beta}-decay nuclear matrix elements is stressed.

  7. Use Of Superacids To Digest Chrysotile And Amosite Asbestos In Simple Mixtures Or Matrices Found In Building Materials Compositions

    DOE Patents [OSTI]

    Sugama, Toshifumi; Petrakis, Leon; Webster, Ronald P.

    1999-12-21

    A composition for converting asbestos-containing material to environmentally benign components is provided. The composition comprises a flouro acid decomposing agent which can be applied to either amosite-containing thermal insulation or chrysotile-containing fire-proof material or to any asbestos-containing material which includes of chrysotile and amosite asbestos. The fluoro acid decomposing agent includes FP(O)(OH).sub.2, hexafluorophosphoric acid, a mixture of hydrofluoric and phosphoric acid and a mixture of hexafluorophosphoric acid and phosphoric acid. A method for converting asbestos-containing material to environmentally benign components is also provided

  8. Degradation of polychlorinated biphenyl mixtures in soil using phanerochaete chrysosporium in nutrient rich, non-ligninolytic conditions

    DOE Patents [OSTI]

    Yadav, Jagjit S.; Reddy, Chilekampalli A.; Quensen, John F.; Tiedje, James M.

    2000-01-01

    Substantial degradation of polychlorinated biphenyl (PCB) mixtures is carried out using the white rot fungus Phanerochaete chrysosporium, under nutrient, carbon and nitrogen source rich, non-ligninolytic conditions. The PCBs with various numbers of ortho, meta, and para chlorines were extensively degraded, indicating relative nonspecificity for the position of chlorine substitutions on the biphenyl ring. Maximal degradation of PCBs in a mixture was observed in malt extract medium (18.4% on a molar basis), in which most of the individual PCBs were degraded.

  9. Americium/europium separation by synergistic extraction mixtures of bis-tetrazolyl pyridines with chlorinated cobalt dicarbollide

    SciTech Connect (OSTI)

    Smirnov, I.V.; Babain, V.A.; Chirkov, A.V.

    2008-07-01

    Americium and europium extraction by synergistic mixtures of 2,6-bis(1-aryl-1 H-tetrazol-5-yl)pyridines (ATP) with chlorinated cobalt dicarbollide (CCD) in polar diluents from acidic media was studied. The effect of diluent, composition of aqueous phase, and substituent nature in the aryl ring of ATPs on the extraction efficiency and selectivity of americium and europium separation was investigated. The Am-Eu separation factor was close to 100 at the optimal ratio of ATPs:CCD {approx}1:1 in the synergistic mixture. High resistance of 2,6-bis-aryl-tetrazolyl pyridines to the action of acids and radiolysis was demonstrated. (authors)

  10. Electrochemical cell apparatus having axially distributed entry of a fuel-spent fuel mixture transverse to the cell lengths

    DOE Patents [OSTI]

    Reichner, P.; Dollard, W.J.

    1991-01-08

    An electrochemical apparatus is made having a generator section containing axially elongated electrochemical cells, a fresh gaseous feed fuel inlet, a gaseous feed oxidant inlet, and at least one gaseous spent fuel exit channel, where the spent fuel exit channel passes from the generator chamber to combine with the fresh feed fuel inlet at a mixing apparatus, reformable fuel mixture channel passes through the length of the generator chamber and connects with the mixing apparatus, that channel containing entry ports within the generator chamber, where the axis of the ports is transverse to the fuel electrode surfaces, where a catalytic reforming material is distributed near the reformable fuel mixture entry ports. 2 figures.

  11. Self-Consistant Numerical Modeling of E-Cloud Driven Instability of a Bunch Train in the CERN SPS

    SciTech Connect (OSTI)

    Vay, J-L.; Furman, M.A.; Secondo, R.; Venturini, M.; Fox, J.D.; Rivetta, C.H,

    2010-09-01

    The simulation package WARP-POSINST was recently upgraded for handling multiple bunches and modeling concurrently the electron cloud buildup and its effect on the beam, allowing for direct self-consistent simulation of bunch trains generating, and interacting with, electron clouds. We have used the WARP-POSINST package on massively parallel supercomputers to study the growth rate and frequency patterns in space-time of the electron cloud driven transverse instability for a proton bunch train in the CERN SPS accelerator. Results suggest that a positive feedback mechanism exists between the electron buildup and the e-cloud driven transverse instability, leading to a net increase in predicted electron density. Comparisons to selected experimental data are also given. Electron clouds have been shown to trigger fast growing instabilities on proton beams circulating in the SPS and other accelerators. So far, simulations of electron cloud buildup and their effects on beam dynamics have been performed separately. This is a consequence of the large computational cost of the combined calculation due to large space and time scale disparities between the two processes. We have presented the latest improvements of the simulation package WARP-POSINST for the simulation of self-consistent ecloud effects, including mesh refinement, and generation of electrons from gas ionization and impact at the pipe walls. We also presented simulations of two consecutive bunches interacting with electrons clouds in the SPS, which included generation of secondary electrons. The distribution of electrons in front of the first beam was initialized from a dump taken from a preceding buildup calculation using the POSINST code. In this paper, we present an extension of this work where one full batch of 72 bunches is simulated in the SPS, including the entire buildup calculation and the self-consistent interaction between the bunches and the electrons. Comparisons to experimental data are also given.

  12. SU-E-J-227: Breathing Pattern Consistency and Reproducibility: Comparative Analysis for Supine and Prone Body Positioning

    SciTech Connect (OSTI)

    Laugeman, E; Weiss, E; Chen, S; Hugo, G; Rosu, M

    2014-06-01

    Purpose: Evaluate and compare the cycle-to-cycle consistency of breathing patterns and their reproducibility over the course of treatment, for supine and prone positioning. Methods: Respiratory traces from 25 patients were recorded for sequential supine/prone 4DCT scans acquired prior to treatment, and during the course of the treatment (weekly or bi-weekly). For each breathing cycle, the average(AVE), end-of-exhale(EoE) and end-of-inhale( EoI) locations were identified using in-house developed software. In addition, the mean values and variations for the above quantities were computed for each breathing trace. F-tests were used to compare the cycle-to-cycle consistency of all pairs of sequential supine and prone scans. Analysis of variances was also performed using population means for AVE, EoE and EoI to quantify differences between the reproducibility of prone and supine respiration traces over the treatment course. Results: Consistency: Cycle-to-cycle variations are less in prone than supine in the pre-treatment and during-treatment scans for AVE, EoE and EoI points, for the majority of patients (differences significant at p<0.05). The few cases where the respiratory pattern had more variability in prone appeared to be random events. Reproducibility: The reproducibility of breathing patterns (supine and prone) improved as treatment progressed, perhaps due to patients becoming more comfortable with the procedure. However, variability in supine position continued to remain significantly larger than in prone (p<0.05), as indicated by the variance analysis of population means for the pretreatment and subsequent during-treatment scans. Conclusions: Prone positioning stabilizes breathing patterns in most subjects investigated in this study. Importantly, a parallel analysis of the same group of patients revealed a tendency towards increasing motion amplitude of tumor targets in prone position regardless of their size or location; thus, the choice for body positioning

  13. Study of Ion Cooling and Ejection from Two Stage Linear Quadrupole Ion Trap consisted of RFQ ion guides

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Ion Cooling and Ejection from Two Stage Linear Quadrupole Ion Trap consisted of RFQ ion guides Kozlovskiy V.I., Filatov V. V., Shchepunov (UNIRIB, O.R.A.U. Oak Ridge, TN, USA) V. A., Brusov V. S., Pikhtelev A. R., Zelenov V. V. Introduction The primary objective of this work concerns linear quadrupole ion traps, which are commonly used to interface a continuous ion beam from an external source with a mass analyzer, requiring bunched or pulsed beams. We assume that the ions prepared for mass

  14. Effects of radiation and compression on propagating spherical flames of methane/air mixtures near the lean flammability limit

    SciTech Connect (OSTI)

    Chen, Zheng [State Key Laboratory for Turbulence and Complex Systems, Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)

    2010-12-15

    Large discrepancies between the laminar flame speeds and Markstein lengths measured in experiments and those predicted by simulations for ultra-lean methane/air mixtures bring a great concern for kinetic mechanism validation. In order to quantitatively explain these discrepancies, a computational study is performed for propagating spherical flames of lean methane/air mixtures in different spherical chambers using different radiation models. The emphasis is focused on the effects of radiation and compression. It is found that the spherical flame propagation speed is greatly reduced by the coupling between thermal effect (change of flame temperature or unburned gas temperature) and flow effect (inward flow of burned gas) induced by radiation and/or compression. As a result, for methane/air mixtures near the lean flammability limit, the radiation and compression cause large amounts of under-prediction of the laminar flame speeds and Markstein lengths extracted from propagating spherical flames. Since radiation and compression both exist in the experiments on ultra-lean methane/air mixtures reported in the literature, the measured laminar flame speeds and Markstein lengths are much lower than results from simulation and thus cannot be used for kinetic mechanism validation. (author)

  15. Simulation of toluene decomposition in a pulse-periodic discharge operating in a mixture of molecular nitrogen and oxygen

    SciTech Connect (OSTI)

    Trushkin, A. N.; Kochetov, I. V.

    2012-05-15

    The kinetic model of toluene decomposition in nonequilibrium low-temperature plasma generated by a pulse-periodic discharge operating in a mixture of nitrogen and oxygen is developed. The results of numerical simulation of plasma-chemical conversion of toluene are presented; the main processes responsible for C{sub 6}H{sub 5}CH{sub 3} decomposition are identified; the contribution of each process to total removal of toluene is determined; and the intermediate and final products of C{sub 6}H{sub 5}CH{sub 3} decomposition are identified. It was shown that toluene in pure nitrogen is mostly decomposed in its reactions with metastable N{sub 2}(A{sub 3}{Sigma}{sub u}{sup +}) and N{sub 2}(a Prime {sup 1}{Sigma}{sub u}{sup -}) molecules. In the presence of oxygen, in the N{sub 2} : O{sub 2} gas mixture, the largest contribution to C{sub 6}H{sub 5}CH{sub 3} removal is made by the hydroxyl radical OH which is generated in this mixture exclusively due to plasma-chemical reactions between toluene and oxygen decomposition products. Numerical simulation showed the existence of an optimum oxygen concentration in the mixture, at which toluene removal is maximum at a fixed energy deposition.

  16. Molecular Dynamics Simulations of Tri-n-butyl-phosphate/n-Dodecane Mixture: Thermophysical Properties and Molecular Structure

    SciTech Connect (OSTI)

    de Almeida, Valmor F; Cui, Shengting; Khomami, Bamin

    2014-01-01

    Molecular dynamics simulations of tri-n-butyl-phosphate (TBP)/n-dodecane mixture in the liquid phase have been carried out using two recently developed TBP force field models (J. Phys. Chem. B 2012, 116, 305) in combination with the all-atom optimized potentials for liquid simulations (OPLS-AA) force field model for n-dodecane. Specifically, the electric dipole moment of TBP, mass density of the mixture, and the excess volume of mixing were computed with TBP mole fraction ranging from 0 to 1. It is found that the aforementioned force field models accurately predict the mass density of the mixture in the entire mole fraction range. Commensurate with experimental measurements, the electric dipole moment of the TBP was found to slightly increase with the mole fraction of TBP in the mixture. Also, in accord with experimental data, the excess volume of mixing is positive in the entire mole fraction range, peaking at TBP mole fraction range 0.3 0.5. Finally, a close examination of the spatial pair correlation functions between TBP molecules, and between TBP and n-dodecane molecules, revealed formation of TBP dimers through self-association at close distance, a phenomenon with ample experimental evidence.

  17. PEM fuel cell stack performance using dilute hydrogen mixture. Implications on electrochemical engine system performance and design

    SciTech Connect (OSTI)

    Inbody, M.A.; Vanderborgh, N.E.; Hedstrom, J.C.; Tafoya, J.I.

    1996-12-31

    Onboard fuel processing to generate a hydrogen-rich fuel for PEM fuel cells is being considered as an alternative to stored hydrogen fuel for transportation applications. If successful, this approach, contrasted to operating with onboard hydrogen, utilizes the existing fuels infrastructure and provides required vehicle range. One attractive, commercial liquid fuels option is steam reforming of methanol. However, expanding the liquid methanol infrastructure will take both time and capital. Consequently technology is also being developed to utilize existing transportation fuels, such as gasoline or diesel, to power PEM fuel cell systems. Steam reforming of methanol generates a mixture with a dry gas composition of 75% hydrogen and 25% carbon dioxide. Steam reforming, autothermal reforming, and partial oxidation reforming of C{sub 2} and larger hydrocarbons produces a mixture with a more dilute hydrogen concentration (65%-40%) along with carbon dioxide ({approx}20%) and nitrogen ({approx}10%-40%). Performance of PEM fuel cell stacks on these dilute hydrogen mixtures will affect the overall electrochemical engine system design as well as the overall efficiency. The Los Alamos Fuel Cell Stack Test facility was used to access the performance of a PEM Fuel cell stack over the range of gas compositions chosen to replicate anode feeds from various fuel processing options for hydrocarbon and alcohol fuels. The focus of the experiments was on the anode performance with dilute hydrogen mixtures with carbon dioxide and nitrogen diluents. Performance with other anode feed contaminants, such as carbon monoxide, are not reported here.

  18. Process to prepare stable trifluorostyrene containing compounds grafted to base polymers using a solvent/water mixture

    DOE Patents [OSTI]

    Roelofs, Mark Gerrit; Yang, Zhen-Yu; Han, Amy Qi

    2010-06-15

    A fluorinated ion exchange polymer is prepared by grafting at least one grafting monomer derived from trifluorostyrene on to at least one base polymer in a organic solvent/water mixture. These ion exchange polymers are useful in preparing catalyst coated membranes and membrane electrode assemblies used in fuel cells.

  19. Facile fabrication of rutile monolayer films consisting of well crystalline nanorods by following an IL-assisted hydrothermal route

    SciTech Connect (OSTI)

    Peng Peng; Liu Xiaodi; Sun, Chuansheng; Ma Jianmin; Zheng Wenjun

    2009-05-15

    In this study, rutile films consisting of rectangular nanorods were facilely deposited on glass substrates from strongly acid solution of TiCl{sub 4}. The highly ordered array of nanorods was realized in presence of ionic liquid (IL) of [Bmim]Br by following a hydrothermal process. In this process, Degussa P25 nanoparticles served as seeds that were pre-deposited on the substrates to facilitate the array of rutile nanorods. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Raman spectrum were used to characterize the obtained nanorod films. The measurements showed that the nanorods were rectangular with width of 100-200 nm and length of more than 1 {mu}m, and grew up typically along c-axis to form the arrays against the substrate. The presence of IL was found vital for the formation of rutile nanorods, and the suitable molar ratio of [Bmim]Br to TiCl{sub 4} ranged from 500:1 to 1500:1. The excessive [Bmim]Br may hinder the precipitation of rutile particles. - Graphical abstract: The rutile film consisting of rectangular nanorods is successfully deposited on glass substrate in presence of ionic liquid (IL) of [Bmim]Br. The nanorods were rectangular with width of 100-200 nm and length of more than 1 {mu}m, which grew up typically along c-axis to form the arrays against the substrate.

  20. Toward fully self-consistent simulation of the interaction of E-Clouds and beams with WARP-POSINST

    SciTech Connect (OSTI)

    LLNL; Furman, M.A.; Furman, M.A.; Celata, C.M.; Sonnad, K.; Venturini, M.; Cohen, R.H.; Friedman, A.; Grote, D.P.; Vay, J.-L.

    2012-04-09

    To predict the evolution of electron clouds and their effect on the beam, the high energy physics community has relied so far on the complementary use of 'buildup' and 'single/multi-bunch instability' reduced descriptions. The former describes the evolution of electron clouds at a given location in the ring, or 'station', under the influence of prescribed beams and external fields [1], while the latter (sometimes also referred as the 'quasi-static' approximation [2]) follows the interaction between the beams and the electron clouds around the accelerator with prescribed initial distributions of electrons, assumed to be concentrated at a number of discrete 'stations' around the ring. Examples of single bunch instability codes include HEADTAIL [3], QuickPIC [4, 5], and PEHTS [6]. By contrast, a fully self-consistent approach, in which both the electron cloud and beam distributions evolve simultaneously under their mutual influence without any restriction on their relative motion, is required for modeling the interaction of high-intensity beams with electron clouds for heavy-ion beam-driven fusion and warm-dense matter science. This community has relied on the use of Particle-In-Cell (PIC) methods through the development and use of the WARP-POSINST code suite [1, 7, 8]. The development of novel numerical techniques (including adaptive mesh refinement, and a new 'drift-Lorentz' particle mover for tracking charged particles in magnetic fields using large time steps) has enabled the first application of WARP-POSINST to the fully self-consistent modeling of beams and electron clouds in high energy accelerators [9], albeit for only a few betatron oscillations. It was recently observed [10] that there exists a preferred frame of reference which minimizes the number of computer operations needed to simulate the interaction of relativistic objects. This opens the possibility of reducing the cost of fully self-consistent simulations for the interaction of ultrarelativistic

  1. Advanced Systems for Preprocessing and Characterizing Coal-Biomass Mixtures as Next-Generation Fuels and Feedstocks

    SciTech Connect (OSTI)

    Karmis, Michael; Luttrell, Gerald; Ripepi, Nino; Bratton, Robert; Dohm, Erich

    2014-06-30

    The research activities presented in this report are intended to address the most critical technical challenges pertaining to coal-biomass briquette feedstocks. Several detailed investigations were conducted using a variety of coal and biomass feedstocks on the topics of (1) coal-biomass briquette production and characterization, (2) gasification of coal-biomass mixtures and briquettes, (3) combustion of coal-biomass mixtures and briquettes, and (4) conceptual engineering design and economic feasibility of briquette production. The briquette production studies indicate that strong and durable co-firing feedstocks can be produced by co-briquetting coal and biomass resources commonly available in the United States. It is demonstrated that binderless coal-biomass briquettes produced at optimized conditions exhibit very high strength and durability, which indicates that such briquettes would remain competent in the presence of forces encountered in handling, storage and transportation. The gasification studies conducted demonstrate that coal-biomass mixtures and briquettes are exceptional gasification feedstocks, particularly with regard to the synergistic effects realized during devolatilization of the blended materials. The mixture combustion studies indicate that coal-biomass mixtures are exceptional combustion feedstocks, while the briquette combustion study indicates that the use of blended briquettes reduces NO{sub x}, CO{sub 2}, and CO emissions, and requires the least amount of changes in the operating conditions of an existing coal-fired power plant. Similar results were obtained for the physical durability of the pilot-scale briquettes compared to the bench-scale tests. Finally, the conceptual engineering and feasibility analysis study for a commercial-scale briquetting production facility provides preliminary flowsheet and cost simulations to evaluate the various feedstocks, equipment selection and operating parameters.

  2. Stabilized three-stage oxidation of DME/air mixture in a micro flow reactor with a controlled temperature profile

    SciTech Connect (OSTI)

    Oshibe, Hiroshi; Nakamura, Hisashi; Tezuka, Takuya; Hasegawa, Susumu; Maruta, Kaoru

    2010-08-15

    Ignition and combustion characteristics of a stoichiometric dimethyl ether (DME)/air mixture in a micro flow reactor with a controlled temperature profile which was smoothly ramped from room temperature to ignition temperature were investigated. Special attention was paid to the multi-stage oxidation in low temperature condition. Normal stable flames in a mixture flow in the high velocity region, and non-stationary pulsating flames and/or repetitive extinction and ignition (FREI) in the medium velocity region were experimentally confirmed as expected from our previous study on a methane/air mixture. In addition, stable double weak flames were observed in the low velocity region for the present DME/air mixture case. It is the first observation of stable double flames by the present methodology. Gas sampling was conducted to obtain major species distributions in the flow reactor. The results indicated that existence of low-temperature oxidation was conjectured by the production of CH{sub 2}O occured in the upstream side of the experimental first luminous flame, while no chemiluminescence from it was seen. One-dimensional computation with detailed chemistry and transport was conducted. At low mixture velocities, three-stage oxidation was confirmed from profiles of the heat release rate and major chemical species, which was broadly in agreement with the experimental results. Since the present micro flow reactor with a controlled temperature profile successfully presented the multi-stage oxidations as spatially separated flames, it is shown that this flow reactor can be utilized as a methodology to separate sets of reactions, even for other practical fuels, at different temperature. (author)

  3. Acute phytotoxicity of seven metals alone and in mixture: Are Italian soil threshold concentrations suitable for plant protection?

    SciTech Connect (OSTI)

    Baderna, Diego Lomazzi, Eleonora; Pogliaghi, Alberto; Ciaccia, Gianluca; Lodi, Marco; Benfenati, Emilio

    2015-07-15

    Metals can pollute soils in both urban and rural areas with severe impacts on the health of humans, plants and animals living there. Information on metal toxicity is therefore important for ecotoxicology. This study investigated the phytotoxicity of different metals frequently found as pollutants in soils: arsenic, cadmium, chromium, lead, mercury, nickel and zinc. Cucumber (Cucumis sativus), sorghum (Sorghum saccharatum) and cress (Lepidium sativum) seeds were used as models for other plants used in human nutrition such as cereals, rice, fruits and vegetables. The 72-h germination rate and root elongations were selected as short-term ecotoxicological endpoints in seeds exposed to single metals and mixtures. Metals were spiked onto OECD standard soils in concentrations comparable to current Italian contamination threshold concentrations for residential and commercial soils. Arsenic, chromium, mercury and nickel were the most toxic metals in our experimental conditions, particularly to cress seeds (5.172, 152 and 255.4 mg/kg as 72 h IC50 for arsenic, mercury and nickel respectively). Italian limits were acceptable for plant protection only for exposure to each metal alone but not for the mixtures containing all the metals concentrations expected by their respective legislative threshold. The effects of the mixture were class-specific: trends were comparable in dicots but different in monocots. The response induced by the mixture at high concentrations differed from that theoretically obtainable by summing the effects of the individual metals. This might be due to partial antagonism of the metals in soil or to the formation of complexes between the metals, which reduce the bioavailability of the pollutants for plants. - Graphical abstract: Metals investigated: Arsenic, Cadmium, Chromium, Lead, Mercury, Nickel and Zinc. - Highlights: • The short-term phytotoxicity of seven metals was investigated with 3 higher plants. • Italian limits for arsenic and nickel in

  4. Link between hopping models and percolation scaling laws for charge transport in mixtures of small molecules

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ha, Dong -Gwang; Kim, Jang -Joo; Baldo, Marc A.

    2016-04-29

    Mixed host compositions that combine charge transport materials with luminescent dyes offer superior control over exciton formation and charge transport in organic light emitting devices (OLEDs). Two approaches are typically used to optimize the fraction of charge transport materials in a mixed host composition: either an empirical percolative model, or a hopping transport model. We show that these two commonly-employed models are linked by an analytic expression which relates the localization length to the percolation threshold and critical exponent. The relation is confirmed both numerically and experimentally through measurements of the relative conductivity of Tris(4-carbazoyl-9-ylphenyl) amine (TCTA) :1,3-bis(3,5-dipyrid-3-yl-phenyl) benzene (BmPyPb)more » mixtures with different concentrations, where the TCTA plays a role as hole conductor and the BmPyPb as hole insulator. Furthermore, the analytic relation may allow the rational design of mixed layers of small molecules for high-performance OLEDs.« less

  5. The production of carbon nanofibers and thin films on palladium catalysts from ethylene oxygen mixtures

    SciTech Connect (OSTI)

    Phillips, Jonathan; Doorn, Stephen; Atwater, Mark; Leseman, Zayd; Luhrs, Claudia C; Diez, Yolanda F; Diaz, Angel M

    2009-01-01

    The characteristics of carbonaceous materials deposited in fuel rich ethylene-oxygen mixtures on three types of palladium: foil, sputtered film, and nanopowder, are reported. It was found that the form of palladium has a dramatic influence on the morphology of the deposited carbon. In particular, on sputtered film and powder, tight 'weaves' of sub-micron filaments formed quickly. In contrast, on foils under identical conditions, the dominant morphology is carbon thin films with basal planes oriented parallel to the substrate surface. Temperature, gas flow rate, reactant flow ratio (C2H4:02), and residence time (position) were found to influence both growth rate and type for all three forms of Pd. X-ray diffraction, high-resolution transmission electron microscopy, temperature-programmed oxidation, and Raman spectroscopy were used to assess the crystallinity of the as-deposited carbon, and it was determined that transmission electron microscopy and x-ray diffraction were the most reliable methods for determining crystallinity. The dependence of growth on reactor position, and the fact that no growth was observed in the absence of oxygen support the postulate that the carbon deposition proceeds by combustion generated radical species.

  6. Metastable alloy materials produced by solid state reaction of compacted, mechanically deformed mixtures

    DOE Patents [OSTI]

    Atzmon, Michael (Herzlia, IL); Johnson, William L. (Pasadena, CA); Verhoeven, John D. (Ames, IA)

    1987-01-01

    Bulk metastable, amorphous or fine crystalline alloy materials are produced by reacting cold-worked, mechanically deformed filamentary precursors such as metal powder mixtures or intercalated metal foils. Cold-working consolidates the metals, increases the interfacial area, lowers the free energy for reaction, and reduces at least one characteristic dimension of the metals. For example, the grains (13) of powder or the sheets of foil are clad in a container (14) to form a disc (10). The disc (10) is cold-rolled between the nip (16) of rollers (18,20) to form a flattened disc (22). The grains (13) are further elongated by further rolling to form a very thin sheet (26) of a lamellar filamentary structure (FIG. 4) containing filaments having a thickness of less than 0.01 microns. Thus, diffusion distance and time for reaction are substantially reduced when the flattened foil (28) is thermally treated in oven (32) to form a composite sheet (33) containing metastable material (34) dispersed in unreacted polycrystalline material (36).

  7. Radiolysis and Ageing of C2-BTP in Cinnamaldehyde/Hexanol Mixtures

    SciTech Connect (OSTI)

    Fermvik, Anna; Ekberg, Christian; Retegan, Teodora; Skarnemark, Gunnar

    2007-07-01

    The separation of actinides from lanthanides is an important step in the alternative methods for nuclear waste treatment currently under development. Polycyclic molecules containing nitrogen are synthesised and used for solvent extraction. A potential problem in the separation process is the degradation of the molecule due to irradiation or ageing. An addition of nitrobenzene has proved to have an inhibitory effect on degradation when added to a system containing C2-BTP in hexanol before irradiation. In this study, 2,6-di(5,6-diethyl-1,2,4-triazine-3-yl)pyridine (C2-BTP) was dissolved in different mixtures of cinnamaldehyde and hexanol and the effects on extraction after ageing and irradiation were investigated. Similar to nitrobenzene, cinnamaldehyde contains an aromatic ring which generally has a relatively high resistance towards radiolysis. Both C2-BTP in cinnamaldehyde and C2-BTP in hexanol seem to degrade with time. The system with C2-BTP in pure hexanol is relatively stable up to 17 days but then starts slowly to degrade. The solution with pure cinnamaldehyde as diluent started to degrade after only {approx}20 hours. The opposite is true for degradation caused by radiolysis; hexanol systems are more sensitive to radiolysis than cinnamaldehyde systems. Most of the radiolytic degradation took place during the first days of irradiation, up to a dose of 4 kGy. (authors)

  8. Nuclear Criticality Control and Safety of Plutonium-Uranium Fuel Mixtures Outside Reactors

    SciTech Connect (OSTI)

    Biswas, D; Mennerdahl, D

    2008-06-23

    The ANSI/ANS 8.12 standard was first approved in July 1978. At that time, this edition was applicable to operations with plutonium-uranium oxide (MOX) fuel mixtures outside reactors and was limited to subcritical limits for homogeneous systems. The next major revision, ANSI/ANS-8.12-1987, included the addition of subcritical limits for heterogeneous systems. The standard was subsequently reaffirmed in February 1993. During late 1990s, substantial work was done by the ANS 8.12 Standard Working Group to re-examine the technical data presented in the standard using the latest codes and cross section sets. Calculations performed showed good agreement with the values published in the standard. This effort resulted in the reaffirmation of the standard in March 2002. The standard is currently in a maintenance mode. After 2002, activities included discussions to determine the future direction of the standard and to follow the MOX standard development by the International Standard Organization (ISO). In 2007, the Working Group decided to revise the standard to extend the areas of applicability by providing a wider range of subcritical data. The intent is to cover a wider domain of MOX fuel fabrication and operations. It was also decided to follow the ISO MOX standard specifications (related to MOX density and isotopics) and develop a new set of subcritical limits for homogeneous systems. This has resulted in the submittal (and subsequent approval) of the project initiation notification system form (PINS) in 2007.

  9. Ultrapyrolytic upgrading of plastic wastes and plastics/heavy oil mixtures to valuable light gas products

    SciTech Connect (OSTI)

    Lovett, S.; Berruti, F.; Behie, L.A.

    1997-11-01

    Viable operating conditions were identified experimentally for maximizing the production of high-value products such as ethylene, propylene, styrene, and benzene, from the ultrapyrolysis of waste plastics. Using both a batch microreactor and a pilot-plant-sized reactor, the key operating variables considered were pyrolysis temperature, product reaction time, and quench time. In the microreactor experiments, polystyrene (PS), a significant component of waste plastics, was pyrolyzed at temperatures ranging from 800 to 965 C, with total reaction times ranging from 500 to 1,000 ms. At a temperature of 965 C and 500 ms, the yields of styrene plus benzene were greater than 95 wt %. In the pilot-plant experiments, the recently patented internally circulating fluidized bed (ICFB) reactor (Milne et al., US Patent Number 5,370,789, 1994b) was used to ultrapyrolyze low-density polyethylene (LDPE) in addition to LDPE (5% by weight)/heavy oil mixtures at a residence time of 600 ms. Both experiments produced light olefin yields greater than 55 wt % at temperatures above 830 C.

  10. DETERMINATION OF SOLID-LIQUID EQUILIBRIA DATA FOR MIXTURES OF HEAVY HYDROCARBONS IN A LIGHT SOLVENT

    SciTech Connect (OSTI)

    F.V. Hanson; J.V. Fletcher; Karthik R.

    2003-06-01

    A methodology was developed using an FT-IR spectroscopic technique to obtain solid-liquid equilibria (SLE) data for mixtures of heavy hydrocarbons in significantly lighter hydrocarbon diluents. SLE was examined in multiple Model Oils that were assembled to simulate waxes. The various Model oils were comprised of C-30 to C-44 hydrocarbons in decane. The FT-IR technique was used to identify the wax precipitation temperature (WPT). The DSC technique was also used in the identification of the onset of the two-phase equilibrium in this work. An additional Model oil made up of C-20 to C-30 hydrocarbons in decane was studied using the DSC experiment. The weight percent solid below the WPT was calculated using the FT-IR experimental results. The WPT and the weight percent solid below the WPT were predicted using an activity coefficient based thermodynamic model. The FT-IR spectroscopy method is found to successfully provide SLE data and also has several advantages over other laboratory-based methods.

  11. Challenges in Determining the Isotopic Mixture for the Fukushima Daiichi Nuclear Power Plant

    SciTech Connect (OSTI)

    Shanks, Arthur; Fournier, Sean; Shanks, Sonoya

    2012-05-01

    As part of the United States response to the Fukushima Daiichi Nuclear Power Plant emergency, the National Nuclear Security Administration (NNSA) Consequence Management (CM) Teams were activated with elements deploying to Japan. The NNSA CM teams faced the urgent need for information regarding the potential radiological doses that citizens of might experience. This paper discusses the challenges and lessons learned associated with the analysis of field collected samples and gamma spectra in an attempt to determine the isotopic mixture present on the ground around the Plant. There were several interesting and surprising lessons to be learned from the sample analysis portion of the response. The paper discusses several elements of the response that were unique to the event occurring in Japan, as well as several elements that would have occurred in a U.S. nuclear reactor event. Sections of this paper address details of the specific analytical challenges faced during the efforts to analyze samples and try to understand the overall release source term.

  12. Analytical gradients of the state-average complete active space self-consistent field method with density fitting

    SciTech Connect (OSTI)

    Delcey, Mickaël G.; Pedersen, Thomas Bondo; Aquilante, Francesco; Lindh, Roland

    2015-07-28

    An efficient implementation of the state-averaged complete active space self-consistent field (SA-CASSCF) gradients employing density fitting (DF) is presented. The DF allows a reduction both in scaling and prefactors of the different steps involved. The performance of the algorithm is demonstrated on a set of molecules ranging up to an iron-Heme b complex which with its 79 atoms and 811 basis functions is to our knowledge the largest SA-CASSCF gradient computed. For smaller systems where the conventional code could still be used as a reference, both the linear response calculation and the gradient formation showed a clear timing reduction and the overall cost of a geometry optimization is typically reduced by more than one order of magnitude while the accuracy loss is negligible.

  13. Consistent Comparison of the Codes RELAP5/PARCS and TRAC-M/PARCS for the OECD MSLB Coupled Code Benchmark

    SciTech Connect (OSTI)

    Kozlowski, Tomasz; Miller, R. Matthew; Downar, Thomas J.; Barber, Douglas A.; Joo, Han Gyu

    2004-04-15

    A generalized interface module was developed for coupling any thermal-hydraulic code to any spatial kinetic code. In the design used here the thermal-hydraulic and spatial kinetic codes function as independent processes and communicate using the Parallel Virtual Machine software. This approach helps maximize flexibility while minimizing modifications to the respective codes. Using this interface, the U.S. Nuclear Regulatory Commission (NRC) three-dimensional neutron kinetic code, Purdue Advanced Reactor Core Simulator (PARCS), has been coupled to the NRC system analysis codes RELAP5 and Modernized Transient Reactor Analysis Code (TRAC-M). Consistent comparison of code results for the Organization for Economic Cooperation and Development/Nuclear Energy Agency main steam line break benchmark problem using RELAP5/PARCS and TRAC-M/PARCS was made to assess code performance.

  14. Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

    2015-08-06

    This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performingmore » microcanonical excited state molecular dynamics with p-nitroaniline.« less

  15. Probing neutrino physics with a self-consistent treatment of the weak decoupling, nucleosynthesis, and photon decoupling epochs

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Grohs, E.; Fuller, George M.; Kishimoto, Chad T.; Paris, Mark W.

    2015-05-11

    In this study, we show that a self-consistent and coupled treatment of the weak decoupling, big bang nucleosynthesis, and photon decoupling epochs can be used to provide new insights and constraints on neutrino sector physics from high-precision measurements of light element abundances and Cosmic Microwave Background observables. Implications of beyond-standard-model physics in cosmology, especially within the neutrino sector, are assessed by comparing predictions against five observables: the baryon energy density, helium abundance, deuterium abundance, effective number of neutrinos, and sum of the light neutrino mass eigenstates. We give examples for constraints on dark radiation, neutrino rest mass, lepton numbers, andmore » scenarios for light and heavy sterile neutrinos.« less

  16. On the full exploitation of symmetry in periodic (as well as molecular) self-consistent-field ab initio calculations

    SciTech Connect (OSTI)

    Orlando, Roberto Erba, Alessandro; Dovesi, Roberto; De La Pierre, Marco; Zicovich-Wilson, Claudio M.

    2014-09-14

    Use of symmetry can dramatically reduce the computational cost (running time and memory allocation) of self-consistent-field ab initio calculations for molecular and crystalline systems. Crucial for running time is symmetry exploitation in the evaluation of one- and two-electron integrals, diagonalization of the Fock matrix at selected points in reciprocal space, reconstruction of the density matrix. As regards memory allocation, full square matrices (overlap, Fock, and density) in the Atomic Orbital (AO) basis are avoided and a direct transformation from the packed AO to the symmetry adapted crystalline orbital basis is performed, so that the largest matrix to be handled has the size of the largest sub-block in the latter basis. Quantitative examples, referring to the implementation in the CRYSTAL code, are given for high symmetry families of compounds such as carbon fullerenes and nanotubes.

  17. Method and apparatus for fabricating a composite structure consisting of a filamentary material in a metal matrix

    DOE Patents [OSTI]

    Banker, J.G.; Anderson, R.C.

    1975-10-21

    A method and apparatus are provided for preparing a composite structure consisting of filamentary material within a metal matrix. The method is practiced by the steps of confining the metal for forming the matrix in a first chamber, heating the confined metal to a temperature adequate to effect melting thereof, introducing a stream of inert gas into the chamber for pressurizing the atmosphere in the chamber to a pressure greater than atmospheric pressure, confining the filamentary material in a second chamber, heating the confined filamentary material to a temperature less than the melting temperature of the metal, evacuating the second chamber to provide an atmosphere therein at a pressure, placing the second chamber in registry with the first chamber to provide for the forced flow of the molten metal into the second chamber to effect infiltration of the filamentary material with the molten metal, and thereafter cooling the metal infiltrated-filamentary material to form said composite structure.

  18. Probing neutrino physics with a self-consistent treatment of the weak decoupling, nucleosynthesis, and photon decoupling epochs

    SciTech Connect (OSTI)

    Grohs, E.; Fuller, George M.; Kishimoto, Chad T.; Paris, Mark W.

    2015-05-11

    In this study, we show that a self-consistent and coupled treatment of the weak decoupling, big bang nucleosynthesis, and photon decoupling epochs can be used to provide new insights and constraints on neutrino sector physics from high-precision measurements of light element abundances and Cosmic Microwave Background observables. Implications of beyond-standard-model physics in cosmology, especially within the neutrino sector, are assessed by comparing predictions against five observables: the baryon energy density, helium abundance, deuterium abundance, effective number of neutrinos, and sum of the light neutrino mass eigenstates. We give examples for constraints on dark radiation, neutrino rest mass, lepton numbers, and scenarios for light and heavy sterile neutrinos.

  19. Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

    SciTech Connect (OSTI)

    Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

    2015-08-06

    This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline.

  20. Three-Nucleon Low-Energy Constants From The Consistency Of Interactions And Currents In Chiral Effective Field Theory

    SciTech Connect (OSTI)

    Gazit, D; Quaglioni, S; Navratil, P

    2008-12-18

    The chiral low-energy constants cD and cE are constrained by means of accurate ab initio calculations of the A = 3 binding energies and, for the first time, of the triton {beta} decay. We demonstrate that these low-energy observables allow a robust determination of the two undetermined constants. The consistency of the interactions and currents in chiral effective field theory is key to this remarkable result. The two- plus three-nucleon interactions from chiral effective field theory defined by properties of the A = 2 system and the present determination of c{sub D} and c{sub E} are successful in predicting properties of the A = 3, and 4 systems.

  1. Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field

    SciTech Connect (OSTI)

    Glover, W. J.

    2014-11-07

    State averaged complete active space self-consistent field (SA-CASSCF) is a workhorse for determining the excited-state electronic structure of molecules, particularly for states with multireference character; however, the method suffers from known issues that have prevented its wider adoption. One issue is the presence of discontinuities in potential energy surfaces when a state that is not included in the state averaging crosses with one that is. In this communication I introduce a new dynamical weight with spline (DWS) scheme that mimics SA-CASSCF while removing energy discontinuities due to unweighted state crossings. In addition, analytical gradients for DWS-CASSCF (and other dynamically weighted schemes) are derived for the first time, enabling energy-conserving excited-state ab initio molecular dynamics in instances where SA-CASSCF fails.

  2. Using electronic templates and a centralized document production network to reduce cost and improve consistence between technical reports

    SciTech Connect (OSTI)

    Byrnes, M.E.

    1996-12-31

    In an effort to reduce the cost and improve the accuracy and consistency between technical reports being written by large companies or large Federal installations, SAIC has recently developed the Centralized Document Production Network (CDPN) Software. The CDPN Software is loaded with standardized electronic document templates along with standardized site-specific background text, tables, and figures. While users across the network are able to retrieve electronic templates and site-specific background text to support their report writing activities, modifications to the network text can only be made by designated experts which are assigned individual passwords. At this time, the CDPN software is being Beta Tested by Kaiser-Hill and Rocky Mountain Remediation Services at the US Department of Energy`s Rocky Flats Plant, in addition to multiple private sector corporations.

  3. SU-E-E-05: Improving Contouring Precision and Consistency for Physicians-In-Training with Simple Lab Experiments

    SciTech Connect (OSTI)

    Ma, L; Larson, D A

    2015-06-15

    Purpose: Target contouring for high-dose treatments such as radiosurgery of brain metastases is highly critical in eliminating marginal failure and reducing complications as shown by recent clinical studies. In order to improve contouring accuracy and practice consistency for the procedure, we introduced a self-assessed physics lab practice for the physicians-in-training. Methods: A set of commercially acquired high-precision PMMA plastic spheres were randomly embedded in a Styrofoam block and then scanned with the CT/MR via the clinical procedural imaging protocol. A group of first-year physicians-in-training (n=6) from either neurosurgery or radiation oncology department were asked to contour the scanned objects (diameter ranged from 0.4 cm to 3.8 cm). These user-defined contours were then compared with the ideal contour sets of object shape for self assessments to determine the maximum areas of the observed discrepancies and method of improvements. Results: The largest discrepancies from initial practice were consistently found to be located near the extreme longitudinal portions of the target for all the residents. Discrepancy was especially prominent when contouring small objects < 1.0 cm in diameters. For example, the mean volumes rendered from the initial contour data set differed from the ideal data set by 7.7%±6.6% for the participants (p> 0.23 suggesting agreement cannot be established). However, when incorporating a secondary imaging scan such as reconstructed coronal or sagittal images in a repeat practice, the agreement was dramatically improved yielding p<0.02 in agreement with the reference data set for all the participants. Conclusion: A simple physics lab revealed a common pitfall in contouring small metastatic brain tumors for radiosurgical procedures and provided a systematic tool for physicians-in-training in improving their clinical contouring skills. Dr Ma is current a board member of international stereotactic radiosurgical society.

  4. Atlas-Based Segmentation Improves Consistency and Decreases Time Required for Contouring Postoperative Endometrial Cancer Nodal Volumes

    SciTech Connect (OSTI)

    Young, Amy V.; Wortham, Angela; Wernick, Iddo; Evans, Andrew; Ennis, Ronald D.

    2011-03-01

    Purpose: Accurate target delineation of the nodal volumes is essential for three-dimensional conformal and intensity-modulated radiotherapy planning for endometrial cancer adjuvant therapy. We hypothesized that atlas-based segmentation ('autocontouring') would lead to time savings and more consistent contours among physicians. Methods and Materials: A reference anatomy atlas was constructed using the data from 15 postoperative endometrial cancer patients by contouring the pelvic nodal clinical target volume on the simulation computed tomography scan according to the Radiation Therapy Oncology Group 0418 trial using commercially available software. On the simulation computed tomography scans from 10 additional endometrial cancer patients, the nodal clinical target volume autocontours were generated. Three radiation oncologists corrected the autocontours and delineated the manual nodal contours under timed conditions while unaware of the other contours. The time difference was determined, and the overlap of the contours was calculated using Dice's coefficient. Results: For all physicians, manual contouring of the pelvic nodal target volumes and editing the autocontours required a mean {+-} standard deviation of 32 {+-} 9 vs. 23 {+-} 7 minutes, respectively (p = .000001), a 26% time savings. For each physician, the time required to delineate the manual contours vs. correcting the autocontours was 30 {+-} 3 vs. 21 {+-} 5 min (p = .003), 39 {+-} 12 vs. 30 {+-} 5 min (p = .055), and 29 {+-} 5 vs. 20 {+-} 5 min (p = .0002). The mean overlap increased from manual contouring (0.77) to correcting the autocontours (0.79; p = .038). Conclusion: The results of our study have shown that autocontouring leads to increased consistency and time savings when contouring the nodal target volumes for adjuvant treatment of endometrial cancer, although the autocontours still required careful editing to ensure that the lymph nodes at risk of recurrence are properly included in the target

  5. Separation of gas mixtures by supported complexes. Final report, 1 October 1982-30 September 1984

    SciTech Connect (OSTI)

    Nelson, D.A.; Hallen, R.T.; Lilga, M.A.

    1985-01-01

    This final report covers research performed to identify and demonstrate advantageous procedures for the chemical separation of gases, such as CO, CO/sub 2/, and H/sub 2/, from medium-Btu gas mixtures by use of supported complexes. Three complexes were chosen for rapid gas uptake and selectivity at 25/sup 0/C from among a group of 22 coordination complexes synthesized during this program. The three complexes showed considerable selectivity toward individual gases. For instance, Pd/sub 2/(dpm)/sub 2/Cl/sub 2/ or bis-..mu..-(bisdiphenylphosphinomethane)-dichlorodipalladium (Pd-Pd), rapidly bound carbon monoxide from solution. This complex could be regenerated, with the carbon monoxide reversibly removed, by warming to 40/sup 0/C. The presence of other gases, such as carbon dioxide, oxygen, nitrogen, hydrogen, ethylene, or acetylene, had no effect upon the rapid uptake of carbon monoxide or its removal. Such selectivity was also noted with Ru(CO)/sub 2/(PPh/sub 3/)/sub 3/, biscarbonyltris(triphenylphosphine)ruthenium. Although this complex bound hydrogen, carbon monoxide, and oxygen in solution, the hydrogen was taken up twice as fast as carbon monoxide and seven times faster than oxygen. These gases could be removed from the complex with mild heat or decreased pressure. Crystalline Rh(OH)(CO)(PPh/sub 3/)/sub 2/, hydroxocarbonylbis(triphenylphosphine)rhodium, rapidly bound carbon dioxide; the complex was regenerated at 50/sup 0/C under reduced pressure. The rapid uptake of carbon dioxide by this complex was not changed in the presence of oxygen. In general the three selected crystalline or solvent dissolved complexes performed well in the absence of polymeric support. The stability and favorable kinetics of the three complexes suggest that they could be utilized in a solution system for gas separation (Conceptual Analyses and Preliminary Economics). Further, these complexes appear to be superb candidates as transport agents for facilitated-transport, membrane systems

  6. Developmental exposure to a commercial PBDE mixture, DE-71: neurobehavioral, hormonal, and reproductive effects.

    SciTech Connect (OSTI)

    Kodavanti, Prasada; Coburn, Cary; Moser, Virginia; MacPhail, Robert; Fenton, Suzanne; Stoker, Tammy; Birnbaum, Linda

    2010-06-01

    Developmental effects of polybrominated diphenyl ethers (PBDEs) have been suspected due to their structural similarities to polychlorinated biphenyls (PCBs). This study evaluated neurobehavioral, hormonal, and reproductive effects in rat offspring perinatally exposed to a widely used pentabrominated commercial mixture, DE-71. Pregnant Long-Evans rats were exposed to 0, 1.7, 10.2, or 30.6 mg/kg/day DE-71 in corn oil by oral gavage from gestational day 6 to weaning. DE-71 did not alter maternal or male offspring body weights. However, female offspring were smaller compared with controls from postnatal days (PNDs) 35-60. Although several neurobehavioral endpoints were assessed, the only statistically significant behavioral finding was a dose-by-age interaction in the number of rears in an open-field test. Developmental exposure to DE-71 caused severe hypothyroxinemia in the dams and early postnatal offspring. DE-71 also affected anogenital distance and preputial separation in male pups. Body weight gain over time, reproductive tissue weights, and serum testosterone concentrations at PND 60 were not altered. Mammary gland development of female offspring was significantly affected at PND 21. Congener-specific analysis of PBDEs indicated accumulation in all tissues examined. Highest PBDE concentrations were found in fat including milk, whereas blood had the lowest concentrations on a wet weight basis. PBDE concentrations were comparable among various brain regions. Thus, perinatal exposure to DE-71 leads to accumulation of PBDE congeners in various tissues crossing blood-placenta and blood-brain barriers, causing subtle changes in some parameters of neurobehavior and dramatic changes in circulating thyroid hormone levels, as well as changes in both male and female reproductive endpoints. Some of these effects are similar to those seen with PCBs, and the persistence of these changes requires further investigation.

  7. Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

    SciTech Connect (OSTI)

    Tan, Ming-Liang; Te, Jerez; Cendagorta, Joseph R.; Miller, Benjamin T.; Brooks, Bernard R.; Ichiye, Toshiko

    2015-02-14

    The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol V{sub E} as a function of ethanol mole fraction X{sub E} is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decrease is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has “brittle” hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water.

  8. Method and apparatus for cooling high temperature superconductors with neon-nitrogen mixtures

    DOE Patents [OSTI]

    Laverman, Royce J.; Lai, Ban-Yen

    1993-01-01

    Apparatus and methods for cooling high temperature superconducting materials (HTSC) to superconductive temperatures within the range of 27.degree. K. to 77.degree. K. using a mixed refrigerant consisting of liquefied neon and nitrogen containing up to about ten mole percent neon by contacting and surrounding the HTSC material with the mixed refrigerant so that free convection or forced flow convection heat transfer can be effected.

  9. Electrochemical cell apparatus having axially distributed entry of a fuel-spent fuel mixture transverse to the cell lengths

    DOE Patents [OSTI]

    Reichner, Philip; Dollard, Walter J.

    1991-01-01

    An electrochemical apparatus (10) is made having a generator section (22) containing axially elongated electrochemical cells (16), a fresh gaseous feed fuel inlet (28), a gaseous feed oxidant inlet (30), and at least one gaseous spent fuel exit channel (46), where the spent fuel exit channel (46) passes from the generator chamber (22) to combine with the fresh feed fuel inlet (28) at a mixing apparatus (50), reformable fuel mixture channel (52) passes through the length of the generator chamber (22) and connects with the mixing apparatus (50), that channel containing entry ports (54) within the generator chamber (22), where the axis of the ports is transverse to the fuel electrode surfaces (18), where a catalytic reforming material is distributed near the reformable fuel mixture entry ports (54).

  10. On the thermal neutron transport processes in liquid H/sub 2/O-D/sub 2/O mixtures

    SciTech Connect (OSTI)

    Barnsal, R.M.; Tewari, S.P.

    1983-06-01

    Using the recently developed thermal neutron scattering kernels for water and heavy water, which incorporate both the collective and the molecular modes present in water and heavy water, the thermal neutron transport studies of asymptotic decay constants lambda/sub 0/, diffusion coefficient D/sub 0/, diffusion cooling coefficient C, and the transport mean-free-path lambda /SUB tr/ are studied for liquid H/sub 2/O-D/sub 2/O mixtures with varying molecular contents and for various assembly sizes at 21 and 5/sup 0/C. The calculated values of the physical constants, lambda/sub 0/, D/sub 0/, C, and lambda /SUB tr/ are found to be in good agreement with the corresponding experimental results. Both the collective motion and the molecular modes present in the liquid H/sub 2/O-D/sub 2/O mixtures play significant roles in the thermal neutron transport processes.

  11. Electrorefining process and apparatus for recovery of uranium and a mixture of uranium and plutonium from spent fuels

    DOE Patents [OSTI]

    Ackerman, J.P.; Miller, W.E.

    1987-11-05

    An electrorefining process and apparatus for the recovery of uranium and a mixture of uranium and plutonium from spent fuels is disclosed using an electrolytic cell having a lower molten cadmium pool containing spent nuclear fuel, an intermediate electrolyte pool, an anode basket containing spent fuels, two cathodes and electrical power means connected to the anode basket, cathodes and lower molten cadmium pool for providing electrical power to the cell. Using this cell, additional amounts of uranium and plutonium from the anode basket are dissolved in the lower molten cadmium pool, and then purified uranium is electrolytically transported and deposited on a first molten cadmium cathode. Subsequently, a mixture of uranium and plutonium is electrotransported and deposited on a second cathode. 3 figs.

  12. Electrorefining process and apparatus for recovery of uranium and a mixture of uranium and plutonium from spent fuels

    DOE Patents [OSTI]

    Ackerman, John P.; Miller, William E.

    1989-01-01

    An electrorefining process and apparatus for the recovery of uranium and a mixture of uranium and plutonium from spent fuel using an electrolytic cell having a lower molten cadmium pool containing spent nuclear fuel, an intermediate electrolyte pool, an anode basket containing spent fuel, and two cathodes, the first cathode composed of either a solid alloy or molten cadmium and the second cathode composed of molten cadmium. Using this cell, additional amounts of uranium and plutonium from the anode basket are dissolved in the lower molten cadmium pool, and then substantially pure uranium is electrolytically transported and deposited on the first alloy or molten cadmium cathode. Subsequently, a mixture of uranium and plutonium is electrotransported and deposited on the second molten cadmium cathode.

  13. Ion beam nanopatterning of III-V semiconductors: Consistency of experimental and simulation trends within a chemistry-driven theory

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    El-Atwani, O.; Norris, S. A.; Ludwig, K.; Gonderman, S.; Allain, J. P.

    2015-12-16

    In this study, several proposed mechanisms and theoretical models exist concerning nanostructure evolution on III-V semiconductors (particularly GaSb) via ion beam irradiation. However, making quantitative contact between experiment on the one hand and model-parameter dependent predictions from different theories on the other is usually difficult. In this study, we take a different approach and provide an experimental investigation with a range of targets (GaSb, GaAs, GaP) and ion species (Ne, Ar, Kr, Xe) to determine new parametric trends regarding nanostructure evolution. Concurrently, atomistic simulations using binary collision approximation over the same ion/target combinations were performed to determine parametric trends onmore » several quantities related to existing model. A comparison of experimental and numerical trends reveals that the two are broadly consistent under the assumption that instabilities are driven by chemical instability based on phase separation. Furthermore, the atomistic simulations and a survey of material thermodynamic properties suggest that a plausible microscopic mechanism for this process is an ion-enhanced mobility associated with energy deposition by collision cascades.« less

  14. Self-consistent fluid modeling and simulation on a pulsed microwave atmospheric-pressure argon plasma jet

    SciTech Connect (OSTI)

    Chen, Zhaoquan; Yin, Zhixiang Chen, Minggong; Hong, Lingli; Hu, Yelin; Huang, Yourui; Xia, Guangqing; Liu, Minghai; Kudryavtsev, A. A.

    2014-10-21

    In present study, a pulsed lower-power microwave-driven atmospheric-pressure argon plasma jet has been introduced with the type of coaxial transmission line resonator. The plasma jet plume is with room air temperature, even can be directly touched by human body without any hot harm. In order to study ionization process of the proposed plasma jet, a self-consistent hybrid fluid model is constructed in which Maxwell's equations are solved numerically by finite-difference time-domain method and a fluid model is used to study the characteristics of argon plasma evolution. With a Guass type input power function, the spatio-temporal distributions of the electron density, the electron temperature, the electric field, and the absorbed power density have been simulated, respectively. The simulation results suggest that the peak values of the electron temperature and the electric field are synchronous with the input pulsed microwave power but the maximum quantities of the electron density and the absorbed power density are lagged to the microwave power excitation. In addition, the pulsed plasma jet excited by the local enhanced electric field of surface plasmon polaritons should be the discharge mechanism of the proposed plasma jet.

  15. An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction

    SciTech Connect (OSTI)

    Albaugh, Alex; Demerdash, Omar; Head-Gordon, Teresa

    2015-11-07

    We have adapted a hybrid extended Lagrangian self-consistent field (EL/SCF) approach, developed for time reversible Born Oppenheimer molecular dynamics for quantum electronic degrees of freedom, to the problem of classical polarization. In this context, the initial guess for the mutual induction calculation is treated by auxiliary induced dipole variables evolved via a time-reversible velocity Verlet scheme. However, we find numerical instability, which is manifested as an accumulation in the auxiliary velocity variables, that in turn results in an unacceptable increase in the number of SCF cycles to meet even loose convergence tolerances for the real induced dipoles over the course of a 1 ns trajectory of the AMOEBA14 water model. By diagnosing the numerical instability as a problem of resonances that corrupt the dynamics, we introduce a simple thermostating scheme, illustrated using Berendsen weak coupling and Nose-Hoover chain thermostats, applied to the auxiliary dipole velocities. We find that the inertial EL/SCF (iEL/SCF) method provides superior energy conservation with less stringent convergence thresholds and a correspondingly small number of SCF cycles, to reproduce all properties of the polarization model in the NVT and NVE ensembles accurately. Our iEL/SCF approach is a clear improvement over standard SCF approaches to classical mutual induction calculations and would be worth investigating for application to ab initio molecular dynamics as well.

  16. Study of self-consistent particle flows in a plasma blob with particle-in-cell simulations

    SciTech Connect (OSTI)

    Hasegawa, Hiroki Ishiguro, Seiji

    2015-10-15

    The self-consistent particle flows in a filamentary coherent structure along the magnetic field line in scrape-off layer (SOL) plasma (plasma blob) have been investigated by means of a three-dimensional electrostatic particle-in-cell simulation code. The presence of the spiral current system composed of the diamagnetic and parallel currents in a blob is confirmed by the particle simulation without any assumed sheath boundary models. Furthermore, the observation of the electron and ion parallel velocity distributions in a blob shows that those distributions are far from Maxwellian due to modification with the sheath formation and that the electron temperature on the higher potential side in a blob is higher than that on the lower potential side. Also, it is found that the ions on the higher potential side are accelerated more intensively along the magnetic field line than those on the lower potential side near the edge. This study indicates that particle simulations are able to provide an exact current closure to analysis of blob dynamics and will bring more accurate prediction of plasma transport in the SOL without any empirical assumptions.

  17. Consistency in the Sum Frequency Generation Intensity and Phase Vibrational Spectra of the Air/Neat Water Interface

    SciTech Connect (OSTI)

    Feng, Ranran; Guo, Yuan; Lu, Rong; Velarde Ruiz Esparza, Luis A.; Wang, Hongfei

    2011-06-16

    Tremendous progresses have been made in quantitative understanding and interpretation of the hydrogen bonding and ordering structure at the air/water interface since the first sum-frequency generation vibrational spectroscopy (SFG-VS) measurement on the neat air/water interface by Q. Du et al. in 1993 (PRL, 70, 2312-2316, 1993.). However, there are still disagreements and controversies on the consistency between the different experiment measurements and the theoretical computational results. One critical problem lies in the inconsistency between the SFG-VS intensity measurements and the recently developed SFG-VS phase spectra measurements of the neat air/water interface, which has inspired various theoretical efforts trying to understand them. In this report, the reliability of the SFG-VS intensity spectra of the neat air/water interface is to be quantitatively examined, and the sources of possible inaccuracies in the SFG-VS phase spectral measurement is to be discussed based on the non-resonant SHG phase measurement results. The conclusion is that the SFG-VS intensity spectra data from different laboratories are now quantitatively converging and in agreement with each other, and the possible inaccuracies and inconsistencies in the SFG-VS phase spectra measurements need to be carefully examined against the properly corrected phase standard.

  18. Ion beam nanopatterning of III-V semiconductors: Consistency of experimental and simulation trends within a chemistry-driven theory

    SciTech Connect (OSTI)

    El-Atwani, O.; Norris, S. A.; Ludwig, K.; Gonderman, S.; Allain, J. P.

    2015-12-16

    In this study, several proposed mechanisms and theoretical models exist concerning nanostructure evolution on III-V semiconductors (particularly GaSb) via ion beam irradiation. However, making quantitative contact between experiment on the one hand and model-parameter dependent predictions from different theories on the other is usually difficult. In this study, we take a different approach and provide an experimental investigation with a range of targets (GaSb, GaAs, GaP) and ion species (Ne, Ar, Kr, Xe) to determine new parametric trends regarding nanostructure evolution. Concurrently, atomistic simulations using binary collision approximation over the same ion/target combinations were performed to determine parametric trends on several quantities related to existing model. A comparison of experimental and numerical trends reveals that the two are broadly consistent under the assumption that instabilities are driven by chemical instability based on phase separation. Furthermore, the atomistic simulations and a survey of material thermodynamic properties suggest that a plausible microscopic mechanism for this process is an ion-enhanced mobility associated with energy deposition by collision cascades.

  19. American National Standard ANSI/ANS-8.12-1987: Criticality Control of Plutonium-Uranium Mixtures

    SciTech Connect (OSTI)

    Shaeffer, M.K.; Keeton, S.C.

    2000-06-13

    American National Standard ANSI/ANS-8.12-1987 (Ref. 1) was approved for use on September 11, 1987, The history of the development of the standard is discussed in Ref. 2. The first version of this standard, which included subcritical limits only on homogeneous plutonium-uranium fuel mixtures, was approved July 17, 1978. The current version was revised to add limits on heterogeneous systems (Ref., 3). This paper provides additional information on the limits presented in the standard.

  20. Method of and apparatus for measuring the mean concentration of thoron and/or radon in a gas mixture

    DOE Patents [OSTI]

    Lucas, Henry

    1990-01-01

    A method of and an apparatus for detecting and accurately measuring the mean concentrations of .sup.222 Rn and .sup.220 Tn in a gas mixture, such as the ambient atmosphere in a mine, is provided. The apparatus includes an alpha target member which defines at least one operative target surface and which is preferably fabricated from a single piece of an alpha particle sensitive material. At least one portion of the operative target surface is covered with an alpha particle filter. The uncovered and filter covered operative surface is exposed to the gas mixture containing the .sup.222 Rn and .sup.220 Tn. In the radioactive decay series of these isotopes the maximum kinetic energy emitted by the alpha decay of .sup.222 Rn is about 1.1 MeV less than the maximum kinetic energy emitted by the alpha decay of a .sup.220 Tn. The alpha particle filter has a predetermined mass per unit area of the covered portion of the operative target surface that prevents penetration of alpha particles which originate from .sup.222 Rn decay, but which allows passage therethrough of the maximum kinetic energy alpha particles from .sup.220 Tn decay. Thus, a count of the alpha particle tracks in the uncovered portion of the target member is proportional to the mean concentration of sum of .sup.222 Rn and .sup.220 Tn in the gas mixture, while the count of alpha tracks in the target member under the filter is proportional to the concentration of only the .sup.220 Tn in the gas mixture.