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. 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.

  14. 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.

  15. 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.

  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. 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; ...

  3. 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 ...

  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. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  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. 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).

  8. 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

  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. 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 ...

  11. 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: ...

  12. 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 ...

  13. 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...

  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. 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.

  1. 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.

  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. 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...

  4. 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.

  5. 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.

  6. 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.

  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. 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}

  11. 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.

  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. 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.

  2. 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.

  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. 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.

  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. 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.

  18. 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)

  19. 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

  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. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  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. 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.

  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. 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.

  18. 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.

  19. 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.

  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. 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.

  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. 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.

  9. 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.

  10. 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.

  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. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  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. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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.

  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. 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.

  2. 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)

  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. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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

  13. 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...

  14. 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 ...

  15. 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 ;...

  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. 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.

  20. 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.

  1. 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.

  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. 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

  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. 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.

  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. 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.

  12. 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.

  13. 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.

  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. 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.

  20. 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.

  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. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  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. 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.

  15. 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.

  16. 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.

  17. 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...

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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...

  3. 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.

  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. 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.

  10. 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.