National Library of Energy BETA

Sample records for kinetic en ergy

  1. SunErgy AE | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EA EIS ReportEuropeEnergy Information Recent FlowNewSunErgy AE Jump to:

  2. use of renewable en-ergy options generally

    E-Print Network [OSTI]

    Delaware, University of

    states and New York City are suing f, counterbal- able energy becomes far more economical (e.g., Awerbuch, 2003). This is because the risk profiles BRACING FOR AN UNCERTAIN ENERGY FUTURE: RENEWABLE ENERGY AND THE US ELECTRICITY INDUSTRY The risk profiles

  3. Abstract. Gaussian-3 ground-state total electronic en-ergies have been approximated using single point

    E-Print Network [OSTI]

    Csonka, Gábor István

    charges ± Enthalpies of formation 1 Introduction Accurate techniques for prediction of the thermochem in the vicinity of stationary points. The average absolute deviation of the best REBECEP enthalpies of formation from the experimental enthalpies of formation is 1.39 kcal/mol for the test set of 65 enthalpies

  4. Effects of electron drift on the collisionless damping of kinetic Alfv\\'en waves in the solar wind

    E-Print Network [OSTI]

    Tong, Yuguang; Chen, Christopher H K; Salem, Chadi S; Verscharen, Daniel

    2015-01-01

    The collisionless dissipation of anisotropic Alfv\\'enic turbulence is a promising candidate to solve the solar wind heating problem. Extensive studies examined the kinetic properties of Alfv\\'en waves in simple Maxwellian or bi-Maxwellian plasmas. However, the observed electron velocity distribution functions in the solar wind are more complex. In this study, we analyze the properties of kinetic Alfv\\'en waves in a plasma with two drifting electron populations. We numerically solve the linearized Maxwell-Vlasov equations and find that the damping rate and the proton-electron energy partition for kinetic Alfv\\'en waves are significantly modified in such plasmas, compared to plasmas without electron drifts. We suggest that electron drift is an important factor to take into account when considering the dissipation of Alfv\\'enic turbulence in the solar wind or other $\\beta \\sim 1$ astrophysical plasmas.

  5. MinnErgy LLC | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History ViewMayo, Maryland: Energy ResourcesDec 2005

  6. Scaling of Off-Equatorial Jets in Giant Planet Atmospheres California Institute of Technology, Pasadena, California

    E-Print Network [OSTI]

    Heaton, Thomas H.

    atmosphere of giant planets modifies jet characteristics, the angular momentum budget, and the energy budget decreases, the eddy length scale and eddy kinetic energy increase, as they do in studies of two kinetic en- ergy dissipation remains roughly constant. The overall kinetic energy dissipation remains

  7. Sandia Energy - Combustion Kinetics

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

    Kinetics Home Transportation Energy Predictive Simulation of Engines Combustion Chemistry Combustion Kinetics Combustion KineticsAshley Otero2015-10-28T02:45:13+00:00 The...

  8. Mem. S.A.It. Vol. 73, 23 SAIt 2002 Memorie della

    E-Print Network [OSTI]

    - physical environments. Our group is collab- orating with the Center for Astrophysical Thermonuclear Flashes, and energy conservation are in the form: @#26; @t +r #1; #26;v = 0 @#26;v @t +r #1; #26;vv +rP = #26;g +r #1 is the total plasma energy (internal en- ergy #15; plus kinetic) per unit mass, #26; is the plasma mass density

  9. Linear and Non-Linear Landau Resonance of Kinetic Alfv\\'en Waves: Consequences for Electron Distribution and Wave Spectrum in the Solar Wind

    E-Print Network [OSTI]

    Rudakov, Leonid; Ganguli, Gurudas; Crabtree, Chris

    2010-01-01

    Kinetic Alfven wave turbulence in solar wind is considered and it is shown that non-Maxwellian electron distribution function has a significant effect on the dynamics of the solar wind plasmas. Linear Landau damping leads to the formation of a plateau in the parallel electron distribution function which diminishes the Landau damping rate significantly. Nonlinear scattering of waves by plasma particles is generalized to short wavelengths and it is found that for the solar wind parameters this scattering is the dominant process as compared to three wave decay and coalescence in the wave vector range . Incorporation of these effects lead to the steepening of the wave spectrum between the inertial and the dissipation ranges with a spectral index between 2 and 3. This region can be labeled as the scattering range. Such steepening has been observed in the solar wind plasmas.

  10. UC Energy Week 2010 May 10-12, 2010

    E-Print Network [OSTI]

    California at Davis, University of

    UC Energy Week 2010 May 10-12, 2010 Inventing a New Energy Future Biomass Energy Geothermal Energy Solar Energy Wind Energy & Integrated Renewables InventIng a new energy Future UC EnErgy WEEk 2010 May 10­12, 2010 rgy intEgratEd rEnEWaBlEs Biomass EnErgy gEothErmal En nErgy gEothErmal EnErgy

  11. ErgyCapital Beghelli JV | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to:ofEnia SpA Jump to:Energy TechLtda Jump to:deEquipavBeghelli

  12. Harvesting renewable energy from Earth's mid-infrared emissions

    E-Print Network [OSTI]

    Capasso, Federico

    the Sun to the Earth, and wind power and hydroelectricity rely on the en- ergy flow from hotter to colder

  13. Legislative Developments in Solar Energy during 1980

    E-Print Network [OSTI]

    Krueger, Robert B.; Hoffman, Peter C.

    1981-01-01

    conversion systems (WECS) and small wind en- ergy conversionof 1978. RESTRAINTS ON SMALL WIND SYSTEM UTILIZATION JOURNAL

  14. Nonlinear effects in kinetic resolutions 

    E-Print Network [OSTI]

    Johnson, Derrell W.

    1999-01-01

    The impact of nonlinear effects in the asymmetric catalysis of kinetic resolutions is analyzed. It is found with minimal assumptions that the kinetics of homocompetitive reactions should apply generally to kinetic resolutions involving partially...

  15. Paint decontamination kinetics

    SciTech Connect (OSTI)

    Thornton, E.W.

    1984-04-01

    Decontamination kinetics of a high-gloss polyurethane paint have been investigated using a novel flow cell experiment where the sample was counted in situ during decontamination. The /sup 134/Cs, /sup 137/Cs, and /sup 90/Y decontaminations follow a rate law that can be predicted theoretically for contaminant ion desorption from weakly heterogeneous random surface adsorption sites. Paint surfaces show the same decontamination kinetics after damage by abrasion or ultraviolet irradiation prior to contamination. The systems investigated exhibit Freundlich adsorption isotherm behavior during contamination; this is also characteristic of weakly heterogeneous random surfaces and is very commonly observed in ion adsorption studies at low concentrations.

  16. Spectral Cascade and Energy Dissipation in Kinetic Alfven Wave Turbulence

    E-Print Network [OSTI]

    Lin, Zhihong

    Spectral Cascade and Energy Dissipation in Kinetic Alfv´en Wave Turbulence Xi Cheng, Zhihong Lin energy sources at large spatial scales. The energy of these non- linearly interacting Alfven waves. 2000). The wave-particle energy exchange rates of these channels depend on the spectral properties near

  17. Kinetic freeze out

    E-Print Network [OSTI]

    Magas, V K; Csernai, László P; Grassi, Frédérique; Greiner, W; Hama, Y; Kodama, T; Lázár, Z I; Stöcker, H; Lázár, Zs.I.

    1999-01-01

    Freeze out of particles across a space-time hypersurface is discussed in kinetic models. The calculation of final momentum distribution of emitted particles is described for freeze out surfaces, with spacelike normals. The resulting non-equilibrium distribution does not resemble, the previously proposed, cut Juttner distribution, and shows non-exponential p_t-spectra similar to the ones observed in experiments.

  18. LLNL Chemical Kinetics Modeling Group

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  19. Kinetic equilibrium and relativistic thermodynamics

    E-Print Network [OSTI]

    P. Ván

    2011-02-01

    Relativistic thermodynamics is treated from the point of view of kinetic theory. It is shown that the generalized J\\"uttner distribution suggested in [1] is compatible with kinetic equilibrium. The requirement of compatibility of kinetic and thermodynamic equilibrium reveals several generalizations of the Gibbs relation where the velocity field is an independent thermodynamic variable.

  20. Multidimensional simulation and chemical kinetics development...

    Energy Savers [EERE]

    Multidimensional simulation and chemical kinetics development for high efficiency clean combustion engines Multidimensional simulation and chemical kinetics development for high...

  1. Cosmological Kinetic Mixing

    E-Print Network [OSTI]

    Das, Ashok; Pino, Miguel

    2015-01-01

    In this paper we generalize the kinetic mixing idea to time reparametrization invariant theories, namely, relativistic point particles and cosmology in order to obtain new insights for dark matter and energy. In the first example, two relativistic particles interact through an appropriately chosen coupling term. It is shown that the system can be diagonalized by means of a non-local field redefinition, and, as a result of this procedure, the mass of one the particles gets rescaled. In the second case, inspired by the previous example, two cosmological models (each with its own scale factor) are made to interact in a similar fashion. The equations of motion are solved numerically in different scenarios (dust, radiation or a cosmological constant coupled to each sector of the system). When a cosmological constant term is present, kinetic mixing rescales it to a lower value which may be more amenable to observations.

  2. Cosmological Kinetic Mixing

    E-Print Network [OSTI]

    Ashok Das; Jorge Gamboa; Miguel Pino

    2015-06-22

    In this paper we generalize the kinetic mixing idea to time reparametrization invariant theories, namely, relativistic point particles and cosmology in order to obtain new insights for dark matter and energy. In the first example, two relativistic particles interact through an appropriately chosen coupling term. It is shown that the system can be diagonalized by means of a non-local field redefinition, and, as a result of this procedure, the mass of one the particles gets rescaled. In the second case, inspired by the previous example, two cosmological models (each with its own scale factor) are made to interact in a similar fashion. The equations of motion are solved numerically in different scenarios (dust, radiation or a cosmological constant coupled to each sector of the system). When a cosmological constant term is present, kinetic mixing rescales it to a lower value which may be more amenable to observations.

  3. Kinetic structures of shear Alfvn and acoustic wave spectra in burning plasmas This article has been downloaded from IOPscience. Please scroll down to see the full text article.

    E-Print Network [OSTI]

    Zonca, Fulvio

    Kinetic structures of shear Alfvén and acoustic wave spectra in burning plasmas This article has Contact us My IOPscience #12;Kinetic structures of shear Alfv´en and acoustic wave spectra in burning fluctuation spectra of shear Alfv´en and acoustic waves in toroidal plasmas of fusion interest. This framework

  4. Kinetic distance and kinetic maps from molecular dynamics simulation

    E-Print Network [OSTI]

    Noe, Frank

    2015-01-01

    Characterizing macromolecular kinetics from molecular dynamics (MD) simulations requires a distance metric that can distinguish slowly-interconverting states. Here we build upon diffusion map theory and define a kinetic distance for irreducible Markov processes that quantifies how slowly molecular conformations interconvert. The kinetic distance can be computed given a model that approximates the eigenvalues and eigenvectors (reaction coordinates) of the MD Markov operator. Here we employ the time-lagged independent component analysis (TICA). The TICA components can be scaled to provide a kinetic map in which the Euclidean distance corresponds to the kinetic distance. As a result, the question of how many TICA dimensions should be kept in a dimensionality reduction approach becomes obsolete, and one parameter less needs to be specified in the kinetic model construction. We demonstrate the approach using TICA and Markov state model (MSM) analyses for illustrative models, protein conformation dynamics in bovine...

  5. Chemical kinetics modeling

    SciTech Connect (OSTI)

    Westbrook, C.K.; Pitz, W.J. [Lawrence Livermore National Laboratory, CA (United States)

    1993-12-01

    This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

  6. Sandia Energy - Combustion Kinetics

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home RoomPreservation of Fe(II) byMultidayAlumniProjects Caterpillar, SandiaCombustion Kinetics Home

  7. Kinetics of coal pyrolysis

    SciTech Connect (OSTI)

    Seery, D.J.; Freihaut, J.D.; Proscia, W.M. ); Howard, J.B.; Peters, W.; Hsu, J.; Hajaligol, M.; Sarofim, A. ); Jenkins, R.; Mallin, J.; Espindola-Merin, B. ); Essenhigh, R.; Misra, M.K. )

    1989-07-01

    This report contains results of a coordinated, multi-laboratory investigation of coal devolatilization. Data is reported pertaining to the devolatilization for bituminous coals over three orders of magnitude in apparent heating rate (100 to 100,000 + {degree}C/sec), over two orders of magnitude in particle size (20 to 700 microns), final particle temperatures from 400 to 1600{degree}C, heat transfer modes ranging from convection to radiative, ambient pressure ranging from near vacuum to one atmosphere pressure. The heat transfer characteristics of the reactors are reported in detail. It is assumed the experimental results are to form the basis of a devolatilization data base. Empirical rate expressions are developed for each phase of devolatilization which, when coupled to an awareness of the heat transfer rate potential of a particular devolatilization reactor, indicate the kinetics emphasized by a particular system reactor plus coal sample. The analysis indicates the particular phase of devolatilization that will be emphasized by a particular reactor type and, thereby, the kinetic expressions appropriate to that devolatilization system. Engineering rate expressions are developed from the empirical rate expressions in the context of a fundamental understanding of coal devolatilization developed in the course of the investigation. 164 refs., 223 figs., 44 tabs.

  8. Dimensional enhancement of kinetic energies

    E-Print Network [OSTI]

    W. P. Schleich; J. P. Dahl

    2002-03-14

    Simple thermodynamics considers kinetic energy to be an extensive variable which is proportional to the number, N, of particles. We present a quantum state of N non-interacting particles for which the kinetic energy increases quadratically with N. This enhancement effect is tied to the quantum centrifugal potential whose strength is quadratic in the number of dimensions of configuration space.

  9. Stratospheric sulfur oxidation kinetics

    SciTech Connect (OSTI)

    Jayne, J.T.; Worsnop, D.R.; Kolb, C.E. [Aerodyne Research, Inc., Billerica, MA (United States)] [and others

    1995-12-31

    Oxidation of SO2 to H2SO4 in the atmosphere is believed to involve the reaction of SO3 with water. It is commonly assumed that this is an important step leading to homogeneous nucleation of H2SO4 aerosol particles. Heterogeneous chemistry on sulfuric acid aerosols regulate much of the ozone photochemistry in the lower stratosphere and are also believed to have significant effect on the climate. Understanding aerosol loading requires a detailed knowledge of the stratospheric sulfur budget, including its oxidation kinetics. Here we present results of a laboratory project studying a key step in the oxidation process, the homogeneous reaction between SO3 and H2O vapor. Kinetic measurements are performed in a high-pressure turbulent fast-flow reactor (fabricated at MIT) which minimizes heterogeneous loss of SO3 on reactorwalls. The rate of decay of SO3 and the appearance of H2SO4 is monitored in the presence of excess water vapor. Gas phase reactants and products are detected via an atmospheric pressure chemical ionization mass spectrometer which is coupled to the exit of the flow reactor. Sulfuric acid nucleation studies can also be performed using the turbulent flow reactor. Initial measurements using a particle detector (based on Mie scattering) showed that aerosol formation and particle size distribution are controlled by varying the SO3/H2O gas ratio and the reactor temperature. Results for the reaction SO3J+ H2O show a second order dependence in water vapor density and a strong negative temperature dependence. The results, measured in the range -30C to +95C, imply that an SO3.H2O adduct and/or a water dimer species is likely involved in the reaction mechanism. Results of recent theoretical calculations on the SO3 + H2O system also support the finding that two water molecules are involved. Implications for the gas phase production of sulfuric acid in the atmosphere will be discussed.

  10. Direct Kinetic Measurements of a Criegee Intermediate

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

    Direct Kinetic Measurements of a Criegee Intermediate Direct Kinetic Measurements of a Criegee Intermediate Print Wednesday, 25 January 2012 00:00 In the earth's troposphere, which...

  11. On the relationships between Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, Equilibrium Chemistry Approximation kinetics and quadratic kinetics

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

    Tang, J. Y.

    2015-09-03

    The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state formore »the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently under-predict the normalized sensitivity ? ln v / ? ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ? ln v / ? ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently over-predict the normalized sensitivity ? ln v / ? ln [ E ]T of v with respect the total enzyme concentration [ E ]T and persistently under-predict the normalized sensitivity ? ln v / ? ln [ S ]T of v with respect to the total substrate concentration [ S ]T. Meanwhile, the reverse Michaelis–Menten kinetics persistently under-predicts ? ln v / ? ln k2+ and ? ln v / ? ln [ E ]T, and persistently over-predicts ? ln v / ? ln k1+ and ? ln v / ? ln [ S ]T. In contrast, the Equilibrium Chemistry Approximation kinetics always gives consistent predictions of ? ln v / ? ln k2+, ? ln v / ? ln k1+, ? ln v / ? ln [ E ]T and ? ln v / ? ln [ S ]T. Since the Equilibrium Chemistry Approximation kinetics includes the advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, soil biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less

  12. Legislative Developments in Solar Energy during 1980

    E-Print Network [OSTI]

    Krueger, Robert B.; Hoffman, Peter C.

    1981-01-01

    L. REP. 267 (1979). SOLAR ENERGY DEVELOPMENTS kilowattsIn particular, the Solar Energy and Energy Conservation Bankthermal sytems is the Solar Energy and En- ergy Conservation

  13. Chinese Science Bulletin 2009 SCIENCE IN CHINA PRESS

    E-Print Network [OSTI]

    Wang, Zhong L.

    emitting diodes, photocatalysis, nanogenerators, and nanopiezotronics. Ever since the discovery properties of ZnO make it a great candidate for sensors, transducers, en- ergy generators and photocatalysis

  14. Human dimensions perspectives on the impacts of coastal zone marine renewable energy

    E-Print Network [OSTI]

    Pomeroy, Caroline; Conway, Flaxen; Hall-Arber, Madeleine

    2013-01-01

    Continental Shelf Renewable Energy Space-Use Conflicts andpotential space-use conflicts between offshore renewablerenewable en- ergy, with their demand for extensive, exclusive space,

  15. Chemical kinetics and combustion modeling

    SciTech Connect (OSTI)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  16. Kinetic equation for a dense soliton gas and A.M. Kamchatnov2

    E-Print Network [OSTI]

    Kinetic equation for a dense soliton gas G.A. El1 and A.M. Kamchatnov2 1 Department of Mathematical of Sciences, Troitsk, Moscow Region, 142190, Russia (Dated: September 27, 2005) We propose a general method arises when solitons form a disordered finite-density en- semble (a soliton gas) rather than well

  17. Chemical Kinetic Research on HCCI & Diesel Fuels | Department...

    Office of Environmental Management (EM)

    alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Chemical Kinetic Modeling of Fuels Chemical Kinetic Research on HCCI & Diesel Fuels...

  18. Medicinal Chemistry and Enzyme Kinetics

    E-Print Network [OSTI]

    Truhlar, Donald G

    Prof. Donald G. Truhlar, Department of Chemistry, February 2007 Recent Results ·Novel analytic functionMedicinal Chemistry and Enzyme Kinetics Elizabeth Amin and C. R. Wagner, Medicinal Chemistry Jiali Gao, Chemistry Don Truhlar, Chemistry February 2007 #12;Zn Metalloprotein Force Field Design ·Zn

  19. Updated Eastern Interconnect Wind Power Output and Forecasts for ERGIS: July 2012

    SciTech Connect (OSTI)

    Pennock, K.

    2012-10-01

    AWS Truepower, LLC (AWST) was retained by the National Renewable Energy Laboratory (NREL) to update wind resource, plant output, and wind power forecasts originally produced by the Eastern Wind Integration and Transmission Study (EWITS). The new data set was to incorporate AWST's updated 200-m wind speed map, additional tall towers that were not included in the original study, and new turbine power curves. Additionally, a primary objective of this new study was to employ new data synthesis techniques developed for the PJM Renewable Integration Study (PRIS) to eliminate diurnal discontinuities resulting from the assimilation of observations into mesoscale model runs. The updated data set covers the same geographic area, 10-minute time resolution, and 2004?2006 study period for the same onshore and offshore (Great Lakes and Atlantic coast) sites as the original EWITS data set.

  20. ErgyCapital SpA formerly Greenergy Capital | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTIONRobertsdale, AlabamaETEC GmbH JumpEllenville,Power Corp Jump to:SIBR JVInvestment JumpErdosEnergySpA

  1. UPS-Aware Workload Placement in Enterprise Data Centers Quan Zhang and Weisong Shi

    E-Print Network [OSTI]

    Shi, Weisong

    on reducing the en- ergy consumption of IT equipment; however, the power losses caused by uninterruptible that contributes 30% of total data center en- ergy cost, the power losses of an uninterruptible power supply (UPS power supply (UPS) is not considered, which could account for 15% of the total energy cost of a data

  2. Kinetic Modeling of Microbiological Processes

    SciTech Connect (OSTI)

    Liu, Chongxuan; Fang, Yilin

    2012-09-17

    Kinetic description of microbiological processes is vital for the design and control of microbe-based biotechnologies such as waste water treatment, petroleum oil recovery, and contaminant attenuation and remediation. Various models have been proposed to describe microbiological processes. This editorial article discusses the advantages and limiation of these modeling approaches in cluding tranditional, Monod-type models and derivatives, and recently developed constraint-based approaches. The article also offers the future direction of modeling researches that best suit for petroleum and environmental biotechnologies.

  3. Eco Kinetics | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to:of the NationalDynetek EuropeEPG|ElecSolutionsKinetics Jump

  4. Multiscale Mathematics For Plasma Kinetics Spanning Multiple...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Multiscale Mathematics For Plasma Kinetics Spanning Multiple Collisionality Regimes Citation Details In-Document Search Title: Multiscale Mathematics For Plasma...

  5. Direct Kinetic Measurements of a Criegee Intermediate

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

    Direct Kinetic Measurements of a Criegee Intermediate Print In the earth's troposphere, which blankets the planet surface where we live and breathe, dust particles, gas molecules,...

  6. The Fractional Kinetic Equation and Thermonuclear Functions

    E-Print Network [OSTI]

    H. J. Haubold; A. M. Mathai

    2000-01-16

    The paper discusses the solution of a simple kinetic equation of the type used for the computation of the change of the chemical composition in stars like the Sun. Starting from the standard form of the kinetic equation it is generalized to a fractional kinetic equation and its solutions in terms of H-functions are obtained. The role of thermonuclear functions, which are also represented in terms of G- and H-functions, in such a fractional kinetic equation is emphasized. Results contained in this paper are related to recent investigations of possible astrophysical solutions of the solar neutrino problem.

  7. Combustion kinetics and reaction pathways

    SciTech Connect (OSTI)

    Klemm, R.B.; Sutherland, J.W. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  8. The Excitation Energy Dependence of the Total Kinetic Energy Release in 235U(n,f)

    E-Print Network [OSTI]

    R. Yanez; L. Yao; J. King; W. Loveland; F. Tovesson; N. Fotiades

    2014-03-18

    The total kinetic energy release in the neutron induced fission of $^{235}$U was measured (using white spectrum neutrons from LANSCE) for neutron energies from E$_{n}$ = 3.2 to 50 MeV. In this energy range the average post-neutron total kinetic energy release drops from 167.4 $\\pm$ 0.7 to 162.1 $\\pm$ 0.8 MeV, exhibiting a local dip near the second chance fission threshold. The values and the slope of the TKE vs. E$_{n}$ agree with previous measurements but do disagree (in magnitude) with systematics. The variances of the TKE distributions are larger than expected and apart from structure near the second chance fission threshold, are invariant for the neutron energy range from 11 to 50 MeV. We also report the dependence of the total excitation energy in fission, TXE, on neutron energy.

  9. Chemical kinetics and oil shale process design

    SciTech Connect (OSTI)

    Burnham, A.K.

    1993-07-01

    Oil shale processes are reviewed with the goal of showing how chemical kinetics influences the design and operation of different processes for different types of oil shale. Reaction kinetics are presented for organic pyrolysis, carbon combustion, carbonate decomposition, and sulfur and nitrogen reactions.

  10. Kinetic advantage of controlled intermediate nuclear fusion

    SciTech Connect (OSTI)

    Guo Xiaoming

    2012-09-26

    The dominated process of controlled fusion is to let nuclei gain enough kinetic energy to overcome Coulomb barrier. As a result, a fusion scheme can consider two factors in its design: to increase kinetic energy of nuclei and to alter the Coulomb barrier. Cold Fusion and Hot fusion are all one-factor schemes while Intermediate Fusion is a twofactors scheme. This made CINF kinetically superior. Cold Fusion reduces deuteron-deuteron distance, addressing Coulomb barrier, and Hot Fusion heat up plasma into extreme high temperature, addressing kinetic energy. Without enough kinetic energy made Cold Fusion skeptical. Extreme high temperature made Hot Fusion very difficult to engineer. Because CIFN addresses both factors, CIFN is a more promising technique to be industrialized.

  11. Microfluidics: Kinetics of Hybridized DNA With Fluid Flow Variations...

    Office of Scientific and Technical Information (OSTI)

    Conference: Microfluidics: Kinetics of Hybridized DNA With Fluid Flow Variations. Citation Details In-Document Search Title: Microfluidics: Kinetics of Hybridized DNA With Fluid...

  12. Model simplification of chemical kinetic systems under uncertainty

    E-Print Network [OSTI]

    Coles, Thomas Michael Kyte

    2011-01-01

    This thesis investigates the impact of uncertainty on the reduction and simplification of chemical kinetics mechanisms. Chemical kinetics simulations of complex fuels are very computationally expensive, especially when ...

  13. Large kinetic asymmetry in the metal-insulator transition nucleated...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Large kinetic asymmetry in the metal-insulator transition nucleated at localized and extended defects Citation Details In-Document Search Title: Large kinetic...

  14. A Study and Comparison of SCR Reaction Kinetics from Reactor...

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

    A Study and Comparison of SCR Reaction Kinetics from Reactor and Engine Experimental Data A Study and Comparison of SCR Reaction Kinetics from Reactor and Engine Experimental Data...

  15. Global kinetics for a commercial diesel oxidation catalyst with...

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

    kinetics for a commercial diesel oxidation catalyst with two exhaust hydrocarbons Global kinetics for a commercial diesel oxidation catalyst with two exhaust hydrocarbons...

  16. Improving Combustion Software to Solve Detailed Chemical Kinetics...

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

    Combustion Software to Solve Detailed Chemical Kinetics for HECC Improving Combustion Software to Solve Detailed Chemical Kinetics for HECC 2012 DOE Hydrogen and Fuel Cells Program...

  17. Modeling of Reactor Kinetics and Dynamics

    SciTech Connect (OSTI)

    Matthew Johnson; Scott Lucas; Pavel Tsvetkov

    2010-09-01

    In order to model a full fuel cycle in a nuclear reactor, it is necessary to simulate the short time-scale kinetic behavior of the reactor as well as the long time-scale dynamics that occur with fuel burnup. The former is modeled using the point kinetics equations, while the latter is modeled by coupling fuel burnup equations with the kinetics equations. When the equations are solved simultaneously with a nonlinear equation solver, the end result is a code with the unique capability of modeling transients at any time during a fuel cycle.

  18. On the relationships between the Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

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

    Tang, J. Y.

    2015-12-01

    The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore »state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ? ln v / ? ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently overpredict the normalized sensitivity ? ln v / ? ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently overpredict the normalized sensitivity ? ln v / ? ln [E]T of v with respect the total enzyme concentration [E]T, and persistently underpredict the normalized sensitivity ? ln v / ? ln [S]T of v with respect to the total substrate concentration [S]T. Meanwhile, the reverse Michaelis–Menten kinetics persistently underpredicts ? ln v / ? ln k2+ and ? ln v / ? ln [E]T, and persistently overpredicts ? ln v / ? ln k1+ and ? ln v / ? ln [S]T. In contrast, the equilibrium chemistry approximation kinetics always gives consistent predictions of ? ln v / ? ln k2+, ? ln v / ? ln k1+, ? ln v / ? ln [E]T, and ? ln v / ? ln [S]T, indicating that ECA-based models will be more calibratable if the modeled processes do obey the law of mass action. Since the equilibrium chemistry approximation kinetics includes advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, land biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect that removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less

  19. Kinetic vs. energetic discrimination in biological copying

    E-Print Network [OSTI]

    Pablo Sartori; Simone Pigolotti

    2013-04-12

    We study stochastic copying schemes in which discrimination between a right and a wrong match is achieved via different kinetic barriers or different binding energies of the two matches. We demonstrate that, in single-step reactions, the two discrimination mechanisms are strictly alternative and can not be mixed to further reduce the error fraction. Close to the lowest error limit, kinetic discrimination results in a diverging copying velocity and dissipation per copied bit. On the opposite, energetic discrimination reaches its lowest error limit in an adiabatic regime where dissipation and velocity vanish. By analyzing experimentally measured kinetic rates of two DNA polymerases, T7 and Pol{\\gamma}, we argue that one of them operates in the kinetic and the other in the energetic regime. Finally, we show how the two mechanisms can be combined in copying schemes implementing error correction through a proofreading pathway

  20. Nonlinear response theory in chemical kinetics

    E-Print Network [OSTI]

    Kryvohuz, M; Mukamel, S

    2014-01-01

    ?D(t) are D 0 (t) = (1) Chemical reactions, N h i ( x , t) iOF NONLINEAR RESPONSE THEORY TO CHEMICAL KINETICS Equation (non- linear responses of chemical systems to perturbations

  1. Time integration methods for reactor kinetics

    E-Print Network [OSTI]

    Nóbrega, José de Anchieta Wanderley da

    A technique based on the Padé approximations is applied to the solution of the point kinetics equations. The method consists of treating explicitly the roots of the inhour formula which would make the Padé approximations ...

  2. Kinetics of Anionic Surfactant Anoxic Degradation 

    E-Print Network [OSTI]

    Camacho, Julianna G.

    2010-07-14

    The biodegradation kinetics of Geropon TC-42 (trademark) by an acclimated culture was investigated in anoxic batch reactors to determine biokinetic coefficients to be implemented in two biofilm mathematical models. Geropon ...

  3. Kinetic decoupling of WIMPs: analytic expressions

    E-Print Network [OSTI]

    Visinelli, Luca

    2015-01-01

    We present a general expression for the values of the average kinetic energy and of the temperature of kinetic decoupling of a WIMP, valid for any cosmological model. We show an example of the usage of our solution when the Hubble rate has a power-law dependence on temperature, and we show results for the specific cases of kination cosmology and low- temperature reheating cosmology.

  4. Kinetic equation for a soliton gas Chernogolovka, July 2009

    E-Print Network [OSTI]

    Fominov, Yakov

    Kinetic equation for a soliton gas Gennady El Chernogolovka, July 2009 Gennady El Kinetic equation, Kinetic equation for solitons, JETP (1971) Here we consider only strongly integrable systems (like KdV, NLS etc.) Gennady El Kinetic equation for a soliton gas #12;From N-solitons/N-gap potentials

  5. Extending Newton's Law from Nonlocal-in-Time Kinetic Energy

    E-Print Network [OSTI]

    Extending Newton's Law from Nonlocal-in-Time Kinetic Energy J.A.K. Suykens K.U. Leuven, ESAT: nonlocal-in-time kinetic energy, higher order Euler-Lagrange equation, Newton's sec- ond law of motion the kinetic energy with a form of nonlocal-in-time kinetic energy. It leads to a hypothetical extension

  6. Resonance Van Hove Singularities in Wave Kinetics

    E-Print Network [OSTI]

    Yi-Kang Shi; Gregory Eyink

    2015-07-29

    Wave kinetic theory has been developed to describe the statistical dynamics of weakly nonlinear, dispersive waves. However, we show that systems which are generally dispersive can have resonant sets of wave modes with identical group velocities, leading to a local breakdown of dispersivity. This shows up as a geometric singularity of the resonant manifold and possibly as an infinite phase measure in the collision integral. Such singularities occur widely for classical wave systems, including acoustical waves, Rossby waves, helical waves in rotating fluids, light waves in nonlinear optics and also in quantum transport, e.g. kinetics of electron-hole excitations (matter waves) in graphene. These singularities are the exact analogue of the critical points found by Van Hove in 1953 for phonon dispersion relations in crystals. The importance of these singularities in wave kinetics depends on the dimension of phase space $D=(N-2)d$ ($d$ physical space dimension, $N$ the number of waves in resonance) and the degree of degeneracy $\\delta$ of the critical points. Following Van Hove, we show that non-degenerate singularities lead to finite phase measures for $D>2$ but produce divergences when $D\\leq 2$ and possible breakdown of wave kinetics if the collision integral itself becomes too large (or even infinite). Similar divergences and possible breakdown can occur for degenerate singularities, when $D-\\delta\\leq 2,$ as we find for several physical examples, including electron-hole kinetics in graphene. When the standard kinetic equation breaks down, then one must develop a new singular wave kinetics. We discuss approaches from pioneering 1971 work of Newell \\& Aucoin on multi-scale perturbation theory for acoustic waves and field-theoretic methods based on exact Schwinger-Dyson integral equations for the wave dynamics.

  7. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect (OSTI)

    PItz, W J; Westbrook, C K; Herbinet, O

    2009-01-20

    Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

  8. Neptunium Binding Kinetics with Arsenazo(III)

    SciTech Connect (OSTI)

    Leigh R. Martin; Aaron T. Johnson; Stephen P. Mezyk

    2014-08-01

    This document has been prepared to meet FCR&D level 2 milestone M2FT-14IN0304021, “Report on the results of actinide binding kinetics with aqueous phase complexants” This work was carried out under the auspices of the Thermodynamics and Kinetics of Advanced Separations Systems FCR&D work package. The report details kinetics experiments that were performed to measure rates of aqueous phase complexation for pentavalent neptunium with the chromotropic dye Arsenazo III (AAIII). The studies performed were designed to determine how pH, ionic strength and AAIII concentration may affect the rate of the reaction. A brief comparison with hexavalent neptunium is also made. It was identified that as pH was increased the rate of reaction also increased, however increasing the ionic strength and concentration of AAIII had the opposite effect. Interestingly, the rate of reaction of Np(VI) with AAIII was found to be slower than that of the Np(V) reaction.

  9. A simple theory of protein folding kinetics

    E-Print Network [OSTI]

    Pande, Vijay S

    2010-01-01

    We present a simple model of protein folding dynamics that captures key qualitative elements recently seen in all-atom simulations. The goals of this theory are to serve as a simple formalism for gaining deeper insight into the physical properties seen in detailed simulations as well as to serve as a model to easily compare why these simulations suggest a different kinetic mechanism than previous simple models. Specifically, we find that non-native contacts play a key role in determining the mechanism, which can shift dramatically as the energetic strength of non-native interactions is changed. For protein-like non-native interactions, our model finds that the native state is a kinetic hub, connecting the strength of relevant interactions directly to the nature of folding kinetics.

  10. Resonance Van Hove Singularities in Wave Kinetics

    E-Print Network [OSTI]

    Shi, Yi-Kang

    2015-01-01

    Wave kinetic theory has been developed to describe the statistical dynamics of weakly nonlinear, dispersive waves. However, we show that systems which are generally dispersive can have resonant sets of wave modes with identical group velocities, leading to a local breakdown of dispersivity. This shows up as a geometric singularity of the resonant manifold and possibly as an infinite phase measure in the collision integral. Such singularities occur widely for classical wave systems, including acoustical waves, Rossby waves, helical waves in rotating fluids, light waves in nonlinear optics and also in quantum transport, e.g. kinetics of electron-hole excitations (matter waves) in graphene. These singularities are the exact analogue of the critical points found by Van Hove in 1953 for phonon dispersion relations in crystals. The importance of these singularities in wave kinetics depends on the dimension of phase space $D=(N-2)d$ ($d$ physical space dimension, $N$ the number of waves in resonance) and the degree ...

  11. Kinetic studies of elementary chemical reactions

    SciTech Connect (OSTI)

    Durant, J.L. Jr. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    This program concerning kinetic studies of elementary chemical reactions is presently focussed on understanding reactions of NH{sub x} species. To reach this goal, the author is pursuing experimental studies of reaction rate coefficients and product branching fractions as well as using electronic structure calculations to calculate transition state properties and reaction rate calculations to relate these properties to predicted kinetic behavior. The synergy existing between the experimental and theoretical studies allow one to gain a deeper insight into more complex elementary reactions.

  12. MHD versus kinetic effects in the solar coronal heating: a two stage mechanism

    E-Print Network [OSTI]

    David Tsiklauri

    2006-06-27

    Using Particle-In-Cell simulations i.e. in the kinetic plasma description the discovery of a new mechanism of parallel electric field generation was recently reported. Here we show that the electric field generation parallel to the uniform unperturbed magnetic field can be obtained in a much simpler framework using the ideal magnetohydrodynamics (MHD) description. In ideal MHD the electric field parallel to the uniform unperturbed magnetic field appears due to fast magnetosonic waves which are generated by the interaction of weakly non-linear Alfv\\'en waves with the transverse density inhomogeneity. In the context of the coronal heating problem a new {\\it two stage mechanism} of plasma heating is presented by putting emphasis, first, on the generation of parallel electric fields within an {\\it ideal MHD} description directly, rather than focusing on the enhanced dissipation mechanisms of the Alfv\\'en waves and, second, dissipation of these parallel electric fields via {\\it kinetic} effects. It is shown that for a single Alfv\\'en wave harmonic with frequency $\

  13. DNA Nanomechanical Switches under Folding Kinetics Control

    E-Print Network [OSTI]

    Meller, Amit

    DNA Nanomechanical Switches under Folding Kinetics Control Virgile Viasnoff,, Amit Meller operate at equilibrium under changes in solution composition. We propose an alternative DNA switch design after heat denaturation drives the switch to its lowest energy conformation, while rapid cooling (>100

  14. Nonlocal kinetic equation: integrable hydrodynamic reductions, symmetries

    E-Print Network [OSTI]

    , Troitsk, Moscow Region, Russia Lebedev Physical Institute, Russian Academy of Sciences, Moscow § SISSA, Trieste, Italy, and Institute of Metal Physics, Urals Division of Russian Academy of Sciences, Ekaterinburg, Russia We study a new class of nonlinear kinetic equations recently derived in the context

  15. STATISTICAL ANALYSIS OF PROTEIN FOLDING KINETICS

    E-Print Network [OSTI]

    Dinner, Aaron

    STATISTICAL ANALYSIS OF PROTEIN FOLDING KINETICS AARON R. DINNER New Chemistry Laboratory for Protein Folding: Advances in Chemical Physics, Volume 120. Edited by Richard A. Friesner. Series Editors Experimental and theoretical studies have led to the emergence of a unified general mechanism for protein

  16. Calcite Reaction Kinetics in Saline Waters 

    E-Print Network [OSTI]

    Finneran, David

    2012-02-14

    The effect of ionic strength (I), pCO2, and temperature on the reaction kinetics of calcite was investigated in magnesium-free, phosphate-free, low calcium (mCa^2 ? 0.01 – 0.02 molal) simple KCl and NaCl solutions from both undersaturated...

  17. CHEMICAL THERMODYNAMICS AND KINETICS Class Meetings

    E-Print Network [OSTI]

    Sherrill, David

    CHEM 6471 CHEMICAL THERMODYNAMICS AND KINETICS Class Meetings 9:35 ­ 10:55 am, Tuesday and Thursday of October 22-26 Textbooks Molecular Thermodynamics by D.A McQuarrie and J.D. Simon, University Science Books the laws of classical thermodynamics and some of their chemical applications. It also covers basic

  18. Computationally Efficient Model for Dopant Precipitation Kinetics

    E-Print Network [OSTI]

    Dunham, Scott

    Computationally Efficient Model for Dopant Precipitation Kinetics Iuval Clejan and Scott T. Dunham and precipitates. Dopant deactivation is typically modeled using a steady­state solid solubility or clustering such as dopant activation/deactivation, it is essential to consider the fact that precipitation involves a range

  19. Predicting Protein Folding Kinetics via Temporal Logic Model Checking: Extended

    E-Print Network [OSTI]

    Langmead, Christopher James

    Predicting Protein Folding Kinetics via Temporal Logic Model Checking: Extended Abstract Abstract. We present a novel approach for predicting protein folding kinetics using techniques from checking. We tested our method on 19 test proteins. The quantitative predictions regarding folding rates

  20. Jeff Haack: Applications of computational kinetic theory | ornl...

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

    Jeff Haack: Applications of computational kinetic theory Jan 28 2014 10:15 AM - 11:15 AM ORNL CONTACT : Email: Billy Fields Phone: Add to Calendar SHARE Kinetic theory describes...

  1. “Batch” Kinetics in Flow: Online IR Analysis and Continuous Control

    E-Print Network [OSTI]

    Moore, Jason S.

    Currently, kinetic data is either collected under steady-state conditions in flow or by generating time-series data in batch. Batch experiments are generally considered to be more suitable for the generation of kinetic ...

  2. Ethylbenzene dehydrogenation into styrene: kinetic modeling and reactor simulation 

    E-Print Network [OSTI]

    Lee, Won Jae

    2007-04-25

    A fundamental kinetic model based upon the Hougen-Watson formalism was derived as a basis not only for a better understanding of the reaction behavior but also for the design and simulation of industrial reactors. Kinetic ...

  3. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    SciTech Connect (OSTI)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.

  4. Chemical Kinetics Research on HCCI and Diesel Fuels

    Broader source: Energy.gov [DOE]

    Discusses detailed chemical kinetics mechanisms for complex hydrocarbon fuels and computationally efficiecnt, accurate methodologies for modeling advanced combustion strategies.

  5. En femenino y en masculino

    E-Print Network [OSTI]

    Fernández Pascual, Ricardo

    femenino y lo masculino en La Regenta Palabras clave de historia de las mujeres en Cataluña (Siglos IX EN EL MUNDO, NO ES EL LEN- GUAJE QUIEN LA CREA. LO QUE DEBE HACER EL LENGUAJE ES, SIMPLEMENTE el peligro de extinción que, de seguir así las cosas, pesaba sobre este último. Con unos modos y

  6. MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE

    E-Print Network [OSTI]

    Meyer, Christian

    MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE Feng Lin Submitted in partial and Sciences COLUMBIA UNIVERSITY 2006 #12;MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE;ABSTRACT MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE Feng Lin A mathematical

  7. Harvesting Kinetic Energy with Switched-Inductor DCDC Converters

    E-Print Network [OSTI]

    Rincon-Mora, Gabriel A.

    energy in motion may not compete with solar power but, in contrast to indoor lighting and thermal sources- power piezoelectric and electrostatic kinetic-harvesting sources. I. HARVESTING KINETIC ENERGY temperature gradients, the fundamental source from which the device draws energy [3]. Harvesting the kinetic

  8. Worldwide Oil Production Michaelis-Menten Kinetics Correlation and Regression

    E-Print Network [OSTI]

    Watkins, Joseph C.

    Worldwide Oil Production Michaelis-Menten Kinetics Topic 4 Correlation and Regression Transformed Variables 1 / 13 #12;Worldwide Oil Production Michaelis-Menten Kinetics Outline Worldwide Oil Production Michaelis-Menten Kinetics Lineweaver-Burke double reciprocal plot 2 / 13 #12;Worldwide Oil Production

  9. On the kinetic foundations of Kaluza's magnetohydrodynamics

    E-Print Network [OSTI]

    A. Sandoval-Villalbazo; A. R. Sagaceta-Mejia; A. L. Garcia-Perciante

    2015-02-20

    Recent work has shown the existence of a relativistic effect present in a single component non-equilibrium fluid, corresponding to a heat flux due to an electric field. The treatment in that work was limited to a four-dimensional Minkowksi space-time in which the Boltzmann equation was treated in a special relativistic approach. The more complete framework of general relativity can be introduced to kinetic theory in order to describe transport processes associated to electromagnetic fields. In this context the original Kaluza's formalism is a promising approach. The present work contains a kinetic theory basis for Kaluza's magnetohydrodynamics and gives a novel description for the establishment of thermodynamic forces beyond the special relativistic description.

  10. On the kinetic foundations of Kaluza's magnetohydrodynamics

    E-Print Network [OSTI]

    Sandoval-Villalbazo, A; Garcia-Perciante, A L

    2015-01-01

    Recent work has shown the existence of a relativistic effect present in a single component non-equilibrium fluid, corresponding to a heat flux due to an electric field. The treatment in that work was limited to a four-dimensional Minkowksy space-time in which the Boltzmann equation was treated in a special relativistic approach. The more complete framework of general relativity can be introduced to kinetic theory in order to describe transport processes associated to electromagnetic fields. In this context the original Kaluza's formalism is a promising approach. The present work contains a kinetic theory basis for Kaluza's magnetohydrodynamics and gives a novel description for the establishment of thermodynamic forces beyond the special relativistic description.

  11. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    Sircar, S

    2015-01-01

    We present an experimentally guided, multi-phasic, multi-species ionic gel model to compare and make qualitative predictions on the rheology of mucus of healthy individuals (Wild Type) versus those infected with Cystic Fibrosis. The mixture theory consists of the mucus (polymer phase) and water (solvent phase) as well as several different ions: H+, Na+ and Ca++. The model is linearized to study the hydration of spherically symmetric mucus gels and calibrated against the experimental data of mucus diffusivities. Near equilibrium, the linearized form of the equation describing the radial size of the gel, reduces to the well-known expression used in the kinetic theory of swelling hydrogels. Numerical studies reveal that the Donnan potential is the dominating mechanism driving the mucus swelling/deswelling transition. However, the altered swelling kinetics of the Cystic Fibrosis infected mucus is not merely governed by the hydroelectric composition of the swelling media, but also due to the altered movement of el...

  12. Legislative Developments in Solar Energy during 1980

    E-Print Network [OSTI]

    Krueger, Robert B.; Hoffman, Peter C.

    1981-01-01

    thermal sytems is the Solar Energy and En- ergy ConservationREP. (CCH) 531. 26. Solar Energy and Energy Conservation ActIn particular, the Solar Energy and Energy Conservation Bank

  13. Critical Points of the Ginzburg--Landau Functional on Multiplyconnected Domains

    E-Print Network [OSTI]

    Renka, Robert

    . Results Acknowledgements References Keywords: Ginzburg--Landau functional, superconductivity, Sobolev of these function­ als represent distributions of currents and magnetic fields in superconducting materials\\Omega 0 rep­ resents a cross section of a superconductor whose en­ ergy is given

  14. Search for KL 3 June 10, 2007

    E-Print Network [OSTI]

    single channel, but also on the sum of energies in pairs of upstream-downstream channels. This eliminated events where en- ergy from one photon was deposited across a pair of upstream-downstream modules

  15. Co-design of Control Algorithm and Embedded Platformfor Building HVAC Systems

    E-Print Network [OSTI]

    Maasoumy, Mehdi; Zhu, Qi; Li, Cheng; Meggers, Forrest; Sangiovanni-Vincentelli, Alberto

    2013-01-01

    Fig. 5 show the energy cost and discomfort index of the sixdiscussion on energy cost and discomfort index, refer to [both en- ergy cost and discomfort index. For instance, the

  16. Estimating Building Simulation Parameters via Bayesian Structure Learning

    E-Print Network [OSTI]

    Wang, Xiaorui "Ray"

    sophisti- cated computer simulations such as EnergyPlus (E+), the DOE flagship whole-building energy, Probabilistic Inference, Big Data 1. INTRODUCTION EnergyPlus is currently DOE's flagship whole-building en- ergy

  17. CURI OSITY. INTUITION. CREATIVITY. Characteristics of a great artist and a great researcher.

    E-Print Network [OSTI]

    Walter, M.Todd

    -scale machines for cancer treatment and alternative energy? Study Mother Nature. Associate professor environmental and en- ergy economics, from domestic and international cap-and-trade policies to consumer vehicle

  18. SAND REPORT SAND2004-1777

    E-Print Network [OSTI]

    Walker, Homer F.

    SAND REPORT SAND2004-1777 Unlimited Release Printed May 2004 Globalization techniques for Newton RTMENT OF EN ERGY · · UNITED STATES OF AM ERICA #12;SAND2004-1777 Unlimited Release Printed May 2004

  19. The pure rotational spectrum of NaC in its X 4 state: Observation

    E-Print Network [OSTI]

    Ziurys, Lucy M.

    and the possible use of these compounds as high en- ergy density fuels.5 An increasing amount of information on metal carbides is now available from electronic spectro- scopy5­15 and more recently, from rotational

  20. Legislative Developments in Solar Energy during 1980

    E-Print Network [OSTI]

    Krueger, Robert B.; Hoffman, Peter C.

    1981-01-01

    In particular, the Solar Energy and Energy Conservation Bankthermal sytems is the Solar Energy and En- ergy ConservationREP. (CCH) 531. 26. Solar Energy and Energy Conservation Act

  1. Lignin content in natural Populus variants affects sugar release

    E-Print Network [OSTI]

    California at Riverside, University of

    's transportation needs (1, 2) and to decrease the emissions of fossil CO2 that damage the world's climate (3 be converted into liquid fuels to reduce the prevailing role of petroleum in providing en- ergy for the world

  2. Prof. Ian H. Hutchinson Professor of Nuclear Science and Engineering, MIT.

    E-Print Network [OSTI]

    Chen, Sow-Hsin

    ) is Professor of Nuclear Science and Engineering at the Massachusetts Institute of Technology. His primary configuration, the Reversed Field Pinch, with the U.K. Atomic En- ergy Authority, where he made landmark

  3. Data-Dependent Fairing of Subdivision Surfaces Ilja Friedel1

    E-Print Network [OSTI]

    matrices for Catmull-Clark surfaces as linear combinations of precomputed en- ergy matrices. This machinery-hull, airplane and automotive design. The goals of fairing typically fall into one of three categories: denoising

  4. Kinetic regulation of coated vesicle secretion

    E-Print Network [OSTI]

    Lionel Foret; Pierre Sens

    2008-07-28

    The secretion of vesicles for intracellular transport often rely on the aggregation of specialized membrane-bound proteins into a coat able to curve cell membranes. The nucleation and growth of a protein coat is a kinetic process that competes with the energy-consuming turnover of coat components between the membrane and the cytosol. We propose a generic kinetic description of coat assembly and the formation of coated vesicles, and discuss its implication to the dynamics of COP vesicles that traffic within the Golgi and with the Endoplasmic Reticulum. We show that stationary coats of fixed area emerge from the competition between coat growth and the recycling of coat components, in a fashion resembling the treadmilling of cytoskeletal filaments. We further show that the turnover of coat components allows for a highly sensitive switching mechanism between a quiescent and a vesicle producing membrane, upon a slowing down of the exchange kinetics. We claim that the existence of this switching behaviour, also triggered by factors such as the presence of cargo and variation of the membrane mechanical tension, allows for efficient regulation of vesicle secretion. We propose a model, supported by different experimental observations, in which vesiculation of secretory membranes is impaired by the energy consuming desorption of coat proteins, until the presence of cargo or other factors triggers a dynamical switch into a vesicle producing state.

  5. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    Howes, G G

    2007-01-01

    The transfer of turbulent energy through an inertial range from the driving scale to dissipative scales in a kinetic plasma followed by the conversion of this energy into heat is a fundamental plasma physics process. A theoretical foundation for the study of this process is constructed, but the details of the kinetic cascade are not well understood. Several important properties are identified: (a) the conservation of a generalized energy by the cascade; (b) the need for collisions to increase entropy and realize irreversible plasma heating; and (c) the key role played by the entropy cascade--a dual cascade of energy to small scales in both physical and velocity space--to convert ultimately the turbulent energy into heat. A strategy for nonlinear numerical simulations of kinetic turbulence is outlined. Initial numerical results are consistent with the operation of the entropy cascade. Inertial range turbulence arises in a broad range of space and astrophysical plasmas and may play an important role in the ther...

  6. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    G. G. Howes

    2007-11-27

    The transfer of turbulent energy through an inertial range from the driving scale to dissipative scales in a kinetic plasma followed by the conversion of this energy into heat is a fundamental plasma physics process. A theoretical foundation for the study of this process is constructed, but the details of the kinetic cascade are not well understood. Several important properties are identified: (a) the conservation of a generalized energy by the cascade; (b) the need for collisions to increase entropy and realize irreversible plasma heating; and (c) the key role played by the entropy cascade--a dual cascade of energy to small scales in both physical and velocity space--to convert ultimately the turbulent energy into heat. A strategy for nonlinear numerical simulations of kinetic turbulence is outlined. Initial numerical results are consistent with the operation of the entropy cascade. Inertial range turbulence arises in a broad range of space and astrophysical plasmas and may play an important role in the thermalization of fusion energy in burning plasmas.

  7. Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation

    SciTech Connect (OSTI)

    Silke, E J; Pitz, W J; Westbrook, C K; Ribaucour, M

    2006-11-10

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of cyclohexane at both low and high temperatures. Reaction rate constant rules are developed for the low temperature combustion of cyclohexane. These rules can be used for in chemical kinetic mechanisms for other cycloalkanes. Since cyclohexane produces only one type of cyclohexyl radical, much of the low temperature chemistry of cyclohexane is described in terms of one potential energy diagram showing the reaction of cyclohexyl radical + O{sub 2} through five, six and seven membered ring transition states. The direct elimination of cyclohexene and HO{sub 2} from RO{sub 2} is included in the treatment using a modified rate constant of Cavallotti et al. Published and unpublished data from the Lille rapid compression machine, as well as jet-stirred reactor data are used to validate the mechanism. The effect of heat loss is included in the simulations, an improvement on previous studies on cyclohexane. Calculations indicated that the production of 1,2-epoxycyclohexane observed in the experiments can not be simulated based on the current understanding of low temperature chemistry. Possible 'alternative' H-atom isomerizations leading to different products from the parent O{sub 2}QOOH radical were included in the low temperature chemical kinetic mechanism and were found to play a significant role.

  8. Pedestal Fueling Simulations with a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect (OSTI)

    D.P. Stotler, C.S. Chang, S.H. Ku, J. Lang and G.Y. Park

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  9. Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect (OSTI)

    Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  10. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit theCovalent BondingMeetingDifferences BetweenDiracDirectDirectDirect Kinetic

  11. Studies of combustion kinetics and mechanisms

    SciTech Connect (OSTI)

    Gutman, D. [Catholic Univ. of America, Washington, DC (United States)

    1993-12-01

    The objective of the current research is to gain new quantitative knowledge of the kinetics and mechanisms of polyatomic free radicals which are important in hydrocarbon combustion processes. The special facility designed and built for these (which includes a heatable tubular reactor coupled to a photoionization mass spectrometer) is continually being improved. Where possible, these experimental studies are coupled with theoretical ones, sometimes conducted in collaboration with others, to obtain an improved understanding of the factors determining reactivity. The decomposition of acetyl radicals, isopropyl radicals, and n-propyl radicals have been studied as well as the oxidation of methylpropargyl radicals.

  12. The Hydriding Kinetics of Organic Hydrogen Getters

    SciTech Connect (OSTI)

    Powell, G. L.

    2002-02-11

    The aging of hermetically sealed systems is often accompanied by the gradual production of hydrogen gas that is a result of the decay of environmental gases and the degradation of organic materials. In particular, the oxygen, water, hydrogen ''equilibrium'' is affected by the removal of oxygen due the oxidation of metals and organic materials. This shift of the above ''equilibrium'' towards the formation of hydrogen gas, particularly in crevices, may eventually reach an explosive level of hydrogen gas or degrade metals by hydriding them. The latter process is generally delayed until the oxidizing species are significantly reduced. Organic hydrogen getters introduced by Allied Signal Aerospace Company, Kansas City Division have proven to be a very effective means of preventing hydrogen gas accumulation in sealed containers. These getters are relatively unaffected by air and environmental gases. They can be packaged in a variety of ways to fit particular needs such as porous pellets, fine or coarse [gravel] powder, or loaded into silicone rubber. The hydrogen gettering reactions are extremely irreversible since the hydrogen gas is converted into an organic hydrocarbon. These getters are based on the palladium-catalyzed hydrogenation of triple bonds to double and then single bonds in aromatic aryl compounds. DEB (1,4 bis (phenyl ethynyl) benzene) typically mixed with 25% by weight carbon with palladium (1% by weight of carbon) is one of the newest and best of these organic hydrogen getters. The reaction mechanisms are complex involving solid state reaction with a heterogeneous catalyst leading to the many intermediates, including mixed alkyl and aryl hydrocarbons with the possibilities of many isomers. The reaction kinetics mechanisms are also strongly influenced by the form in which they are packaged. For example, the hydriding rates for pellets and gravel have a strong dependence on reaction extent (i.e., DEB reduction) and a kinetic order in pressure of 0.76. Silicone rubber based DEB getters hydride at a much lower rate, have little dependence on reaction extent, have a higher kinetic order in pressure (0.87), and have a lower activation energy. The kinetics of the reaction as a function of hydrogen pressure, stoichiometry, and temperature for hydrogen and deuterium near ambient temperature (0 to 75 C) for pressures near or below 100 Pa over a wide range (in some cases, the complete) hydrogenation range are presented along with multi-dimensional rate models.

  13. Transport Phenomena and Interfacial Kinetics in Planar Microfluidic

    Office of Scientific and Technical Information (OSTI)

    Transport Phenomena and Interfacial Kinetics in Planar Microfluidic Membraneless Fuel Cells Abruna, Hector Daniel Cornell University 30 DIRECT ENERGY CONVERSION Our work is...

  14. Chemical Dynamics, Molecular Energetics, and Kinetics at the Synchrotron

    E-Print Network [OSTI]

    Leone, Stephen R.

    2010-01-01

    novel measurements of chemical dynamics for clusters, Chemical Dynamics, Molecular Energetics, and Kinetics at theUniversity of California Chemical Sciences Division,

  15. Microscale Electrode Design Using Coupled Kinetic, Thermal and...

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

    -- Washington D.C. es17sastry.pdf More Documents & Publications Modeling-Thermo-electrochemistry, Capacity Degradation and Mechanics with SEI Layer Coupled Kinetic, Thermal, and...

  16. Evaluation of Thermal Evolution Profiles and Estimation of Kinetic...

    Office of Scientific and Technical Information (OSTI)

    Evaluation of Thermal Evolution Profiles and Estimation of Kinetic Parameters for Pyrolysis of CoalCorn Stover Blends Using Thermogravimetric Analysis Citation Details...

  17. Pressure Dependent Decomposition Kinetics of the Energetic Material...

    Office of Scientific and Technical Information (OSTI)

    Org: USDOE Country of Publication: United States Language: English Subject: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ACCELERATION; DIAMONDS; KINETICS; PYROLYSIS...

  18. Ultrafast kinetics subsequent to shock in an unreacted, oxygen...

    Office of Scientific and Technical Information (OSTI)

    subsequent to shock in an unreacted, oxygen balanced mixture of nitromethane and hydrogen peroxide Citation Details In-Document Search Title: Ultrafast kinetics subsequent to...

  19. Microscale Electrode Design Using Coupled Kinetic, Thermal and...

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

    geothermal systems (EGS) | geothermal 2015 peer review Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro-machined Electrodes 2015 GTO Peer Review | Poster Session...

  20. Uranium and Strontium Batch Sorption and Diffusion Kinetics into...

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

    Uranium and Strontium Batch Sorption and Diffusion Kinetics into Mesoporous Silica Friday, February 27, 2015 Figure 1 Figure 1. Transmission electron microscopy images of (A)...

  1. Intercalation Kinetics and Ion Mobility in Electrode Materials...

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

    Intercalation Kinetics and Ion Mobility in Electrode Materials for Advanced Lithium Ion Batteries 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program...

  2. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    S. Sircar; A. J. Roberts

    2015-01-20

    We present an experimentally guided, multi-phasic, multi-species ionic gel model to compare and make qualitative predictions on the rheology of mucus of healthy individuals (Wild Type) versus those infected with Cystic Fibrosis. The mixture theory consists of the mucus (polymer phase) and water (solvent phase) as well as several different ions: H+, Na+ and Ca++. The model is linearized to study the hydration of spherically symmetric mucus gels and calibrated against the experimental data of mucus diffusivities. Near equilibrium, the linearized form of the equation describing the radial size of the gel, reduces to the well-known expression used in the kinetic theory of swelling hydrogels. Numerical studies reveal that the Donnan potential is the dominating mechanism driving the mucus swelling/deswelling transition. However, the altered swelling kinetics of the Cystic Fibrosis infected mucus is not merely governed by the hydroelectric composition of the swelling media, but also due to the altered movement of electrolytes as well as due to the defective properties of the mucin polymer network.

  3. PBXN-9 Ignition Kinetics and Deflagration Rates

    SciTech Connect (OSTI)

    Glascoe, E; Maienschein, J; Burnham, A; Koerner, J; Hsu, P; Wemhoff, A

    2008-04-24

    The ignition kinetics and deflagration rates of PBXN-9 were measured using specially designed instruments at LLNL and compared with previous work on similar HMX based materials. Ignition kinetics were measured based on the One Dimensional Time-to-Explosion combined with ALE3D modeling. Results of these experiments indicate that PBXN-9 behaves much like other HMX based materials (i.e. LX-04, LX-07, LX-10 and PBX-9501) and the dominant factor in these experiments is the type of explosive, not the type of binder/plasticizer. In contrast, the deflagration behavior of PBXN-9 is quite different from similar high weight percent HMX based materials (i.e LX-10, LX-07 and PBX-9501). PBXN-9 burns in a laminar manner over the full pressure range studied (0-310 MPa) unlike LX-10, LX-07, and PBX-9501. The difference in deflagration behavior is attributed to the nature of the binder/plasticizer alone or in conjunction with the volume of binder present in PBXN-9.

  4. The solubility and kinetics of minerals under CO2-EGS geothermal conditions: Comparison of experimental and modeling results

    E-Print Network [OSTI]

    Xu, T.

    2014-01-01

    of rate parameters of water-mineral interaction kinetics forKinetic rate law for mineral dissolution and precipitationwhere n denotes kinetic mineral index, positive values of r

  5. Chemomechanical mapping of ligandreceptor binding kinetics on cells

    E-Print Network [OSTI]

    Van Vliet, Krystyn J.

    Chemomechanical mapping of ligand­receptor binding kinetics on cells Sunyoung Lee, Jelena Mandic, Providence, RI, April 23, 2007 (received for review January 2, 2007) The binding kinetics between cell activity. Modeling and prediction of receptor-mediated cell func- tions are facilitated by measurement

  6. An action with positive kinetic energy term for general relativity

    E-Print Network [OSTI]

    T. Mei

    2007-11-02

    At first, we state some results in arXiv: 0707.2639, and then, using a positive kinetic energy coordinate condition given by arXiv: 0707.2639, we present an action with positive kinetic energy term for general relativity. Based on this action, the corresponding theory of canonical quantization is discussed.

  7. Microdroplet fusion mass spectrometry for fast reaction kinetics

    E-Print Network [OSTI]

    Zare, Richard N.

    Microdroplet fusion mass spectrometry for fast reaction kinetics Jae Kyoo Leea,b , Samuel Kima,b,1 investigated the fusion of high-speed liquid droplets as a way to record the kinetics of liquid-phase chemical between the mass spec- trometer inlet and the droplet fusion center. Fused droplet trajec- tories were

  8. Predicting Protein Folding Kinetics via Temporal Logic Model Checking

    E-Print Network [OSTI]

    Predicting Protein Folding Kinetics via Temporal Logic Model Checking Christopher James Langmead award from the U.S. Department of Energy. #12;Keywords: protein folding, model checking, temporal logic #12;Abstract We present a novel approach for predicting protein folding kinetics using techniques from

  9. Radon transform and kinetic equations in tomographic representation

    E-Print Network [OSTI]

    V. N. Chernega; V. I. Man'ko; B. I. Sadovnikov

    2009-11-01

    Statistical properties of classical random process are considered in tomographic representation. The Radon integral transform is used to construct the tomographic form of kinetic equations. Relation of probability density on phase space for classical systems with tomographic probability distributions is elucidated. Examples of simple kinetic equations like Liouville equations for one and many particles are studied in detail.

  10. Kinetic Theory for Metallic Clusters II. Klimontovich Equation Approach

    E-Print Network [OSTI]

    Bonitz, Michael

    is then applied to write a formal kinetic theory for electrons in a strong electromagnetic field. SinceKinetic Theory for Metallic Clusters II. Klimontovich Equation Approach James W Dufty Department on the microscopic phase space density as the fundamental variable in terms of which all other properties

  11. A kinetic model for anisotropic reactions in amorphous solids

    E-Print Network [OSTI]

    Hong, Wei

    , and does not need to introduce kinetic-dependent plasticity or modify basic thermodynamic quantities models either attribute such deformation to the plastic flow driven by the stress exceeding a non1 A kinetic model for anisotropic reactions in amorphous solids Wei Hong* Department of Aerospace

  12. Hydraulic design of leaves: insights from rehydration kinetics

    E-Print Network [OSTI]

    Holbrook, N. Michele

    Hydraulic design of leaves: insights from rehydration kinetics MACIEJ A. ZWIENIECKI1 , TIMOTHY J design in 10 species based on their rehydration kinetics. In all cases, a biphasic response described extension; tran- spiration stream; hydraulic compartmentalization. INTRODUCTION Leaves of terrestrial plants

  13. Zinc Adsorption Effects on Arsenite Oxidation Kinetics at the

    E-Print Network [OSTI]

    Sparks, Donald L.

    Zinc Adsorption Effects on Arsenite Oxidation Kinetics at the Birnessite-Water Interface L A U R(III) oxidation. Accordingly, the effects of adsorbed and nonadsorbed Zn on arsenite (As(III)) oxidation kinetics Arsenic often occurs in aquatic/terrestrial environments because of anthropogenic inputs (e.g., use

  14. A Chemical Kinetic Model of Transcriptional Elongation

    E-Print Network [OSTI]

    Yujiro Richard Yamada; Charles S. Peskin

    2006-05-23

    A chemical kinetic model of the elongation dynamics of RNA polymerase along a DNA sequence is introduced. The proposed model governs the discrete movement of the RNA polymerase along a DNA template, with no consideration given to elastic effects. The model's novel concept is a ``look-ahead'' feature, in which nucleotides bind reversibly to the DNA prior to being incorporated covalently into the nascent RNA chain. Results are presented for specific DNA sequences that have been used in single-molecule experiments of the random walk of RNA polymerase along DNA. By replicating the data analysis algorithm from the experimental procedure, the model produces velocity histograms, enabling direct comparison with these published results.

  15. 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.

  16. Kinetics of wet sodium vapor complex plasma

    SciTech Connect (OSTI)

    Mishra, S. K., E-mail: nishfeb@rediffmail.com [Institute for Plasma Research (IPR), Gandhinagar 382428 (India); Sodha, M. S. [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)] [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)

    2014-04-15

    In this paper, we have investigated the kinetics of wet (partially condensed) Sodium vapor, which comprises of electrons, ions, neutral atoms, and Sodium droplets (i) in thermal equilibrium and (ii) when irradiated by light. The formulation includes the balance of charge over the droplets, number balance of the plasma constituents, and energy balance of the electrons. In order to evaluate the droplet charge, a phenomenon for de-charging of the droplets, viz., evaporation of positive Sodium ions from the surface has been considered in addition to electron emission and electron/ion accretion. The analysis has been utilized to evaluate the steady state parameters of such complex plasmas (i) in thermal equilibrium and (ii) when irradiated; the results have been graphically illustrated. As a significant outcome irradiated, Sodium droplets are seen to acquire large positive potential, with consequent enhancement in the electron density.

  17. Active Polymers Confer Fast Reorganization Kinetics

    E-Print Network [OSTI]

    Douglas Swanson; Ned S. Wingreen

    2011-10-02

    Many cytoskeletal biopolymers are "active," consuming energy in large quantities. In this Letter, we identify a fundamental difference between active polymers and passive, equilibrium polymers: for equal mean lengths, active polymers can reorganize faster than equilibrium polymers. We show that equilibrium polymers are intrinsically limited to linear scaling between mean lifetime and mean length, MFPT ~ , by analogy to 1-d Potts models. By contrast, we present a simple active-polymer model that improves upon this scaling, such that MFPT ~ ^{1/2}. Since to be biologically useful, structural biopolymers must typically be many monomers long, yet respond dynamically to the needs of the cell, the difference in reorganization kinetics may help to justify active polymers' greater energy cost. PACS numbers: 87.10.Ed, 87.16.ad, 87.16.Ln

  18. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    SciTech Connect (OSTI)

    Nesbitt, David J.

    2013-08-06

    Spectroscopy, kinetics and dynamics of jet cooled hydrocarbon transients relevant to the DOE combustion mission have been explored, exploiting i) high resolution IR lasers, ii) slit discharge sources for formation of jet cooled radicals, and iii) high sensitivity detection with direct laser absorption methods and near the quantum shot noise limit. What makes this combination powerful is that such transients can be made under high concentrations and pressures characteristic of actual combustion conditions, and yet with the resulting species rapidly cooled (T ?10-15K) in the slit supersonic expansion. Combined with the power of IR laser absorption methods, this provides novel access to spectral detection and study of many critical combustion species.

  19. Brittle failure kinetics model for concrete

    SciTech Connect (OSTI)

    Silling, S.A.

    1997-03-01

    A new constitutive model is proposed for the modeling of penetration and large stress waves in concrete. Rate effects are incorporated explicitly into the damage evolution law, hence the term brittle failure kinetics. The damage variable parameterizes a family of Mohr-Coulomb strength curves. The model, which has been implemented in the CTH code, has been shown to reproduce some distinctive phenomena that occur in penetration of concrete targets. Among these are the sharp spike in deceleration of a rigid penetrator immediately after impact. Another is the size scale effect, which leads to a nonlinear scaling of penetration depth with penetrator size. This paper discusses the theory of the model and some results of an extensive validation effort.

  20. A Kinetic Theory Approach to Quantum Gravity

    E-Print Network [OSTI]

    B. L. Hu

    2002-04-22

    We describe a kinetic theory approach to quantum gravity -- by which we mean a theory of the microscopic structure of spacetime, not a theory obtained by quantizing general relativity. A figurative conception of this program is like building a ladder with two knotted poles: quantum matter field on the right and spacetime on the left. Each rung connecting the corresponding knots represent a distinct level of structure. The lowest rung is hydrodynamics and general relativity; the next rung is semiclassical gravity, with the expectation value of quantum fields acting as source in the semiclassical Einstein equation. We recall how ideas from the statistical mechanics of interacting quantum fields helped us identify the existence of noise in the matter field and its effect on metric fluctuations, leading to the establishment of the third rung: stochastic gravity, described by the Einstein-Langevin equation. Our pathway from stochastic to quantum gravity is via the correlation hierarchy of noise and induced metric fluctuations. Three essential tasks beckon: 1) Deduce the correlations of metric fluctuations from correlation noise in the matter field; 2) Reconstituting quantum coherence -- this is the reverse of decoherence -- from these correlation functions 3) Use the Boltzmann-Langevin equations to identify distinct collective variables depicting recognizable metastable structures in the kinetic and hydrodynamic regimes of quantum matter fields and how they demand of their corresponding spacetime counterparts. This will give us a hierarchy of generalized stochastic equations -- call them the Boltzmann-Einstein hierarchy of quantum gravity -- for each level of spacetime structure, from the macroscopic (general relativity) through the mesoscopic (stochastic gravity) to the microscopic (quantum gravity).

  1. Fully kinetic simulations of megajoule-scale dense plasma focus

    SciTech Connect (OSTI)

    Schmidt, A.; Link, A.; Tang, V.; Halvorson, C.; May, M.; Welch, D.; Meehan, B. T.; Hagen, E. C.

    2014-10-15

    Dense plasma focus (DPF) Z-pinch devices are sources of copious high energy electrons and ions, x-rays, and neutrons. Megajoule-scale DPFs can generate 10{sup 12} neutrons per pulse in deuterium gas through a combination of thermonuclear and beam-target fusion. However, the details of the neutron production are not fully understood and past optimization efforts of these devices have been largely empirical. Previously, we reported on the first fully kinetic simulations of a kilojoule-scale DPF and demonstrated that both kinetic ions and kinetic electrons are needed to reproduce experimentally observed features, such as charged-particle beam formation and anomalous resistivity. Here, we present the first fully kinetic simulation of a MegaJoule DPF, with predicted ion and neutron spectra, neutron anisotropy, neutron spot size, and time history of neutron production. The total yield predicted by the simulation is in agreement with measured values, validating the kinetic model in a second energy regime.

  2. Negative kinetic energy term of general relativity and its removing

    E-Print Network [OSTI]

    T. Mei

    2009-03-30

    We first present a new Lagrangian of general relativity, which can be divided into kinetic energy term and potential energy term. Taking advantage of vierbein formalism, we reduce the kinetic energy term to a sum of five positive terms and one negative term. Some gauge conditions removing the negative kinetic energy term are discussed. Finally, we present a Lagrangian that only include positive kinetic energy terms. To remove the negative kinetic energy term leads to a new field equation of general relativity in which there are at least five equations of constraint and at most five dynamical equations, this characteristic is different from the normal Einstein field equation in which there are four equations of constraint and six dynamical equations.

  3. Elementary gas kinetic theory. Today we will give kinetic theory definitions to main macroscopic

    E-Print Network [OSTI]

    Alexeenko, Alina

    proportional to mean kinetic energy of thermal motion. p= nmv- v0 2 3 = nm v 2 3 . #12;7 Derivation of Avogadro . #12;8 Avogadro's Law Number of molecules in a volume of gas is a quantity of particles in a given of C12 =6.022x1023 atoms. NA =6.022x1023 ­ Avogadro number. The volume V0 occupied by a mole of ideal

  4. 2D Axisymmetric Coupled CFD-kinetics Modeling of a Nonthermal Arc Plasma Torch for Diesel Fuel

    E-Print Network [OSTI]

    Boyer, Edmond

    -4 , autothermal reforming of biogas5 or hexadecane6 with very simple kinetic mechanism. CFD-kinetics models have

  5. THERMOSTATICS AND KINETICS OF TRANSFORMATIONS IN PU-BASED ALLOYS

    SciTech Connect (OSTI)

    Turchi, P; Kaufman, L; Liu, Z

    2006-06-30

    CALPHAD assessment of the thermodynamic properties of a series of Pu-based alloys is briefly presented together with some results on the kinetics of phase formation and transformations in Pu-Ga alloys.

  6. Uncertainty analysis of multi-rate kinetics of uranium desorption...

    Office of Scientific and Technical Information (OSTI)

    multi-rate kinetics of uranium desorption from sediments A multi-rate expression for uranyl U(VI) surface complexation reactions has been proposed to describe diffusion-limited...

  7. Kinetic Monte Carlo simulations of nanocrystalline film deposition

    E-Print Network [OSTI]

    Ruan, Shiyun

    A full diffusion kinetic Monte Carlo algorithm is used to model nanocrystalline film deposition, and study the mechanisms of grain nucleation and microstructure formation in such films. The major finding of this work is ...

  8. Kinetic modeling and automated optimization in microreactor systems

    E-Print Network [OSTI]

    Moore, Jason Stuart

    2013-01-01

    The optimization, kinetic investigation, or scale-up of a reaction often requires significant time and materials. Silicon microreactor systems have been shown advantageous for studying chemical reactions due to their small ...

  9. Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle

    E-Print Network [OSTI]

    Wikswo, John

    Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle Self-Assembly Chinmay Soman1 using nanoparticle self-assembly mediated by molecular interactions, including polynucleotide Directed self-assembly of nanostructures into microstructures through intermolecular interactions

  10. Structural kinetics of myosin by transient time-resolved FRET

    E-Print Network [OSTI]

    Thomas, David D.

    occurs before ATP is hydrolyzed, and two struc- tural states (relay helix straight and bent) are resolved structural data, determined primarily from static protein crystals, and kinetics, measured dur- ing

  11. Benchmark Reaction Mechanisms and Kinetics for Lean NOx Traps...

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

    Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. acep01larson.pdf More Documents & Publications Development of Chemical Kinetic Models for...

  12. Kinetic studies of isoprene reactions with hydroxyl and chlorine radicals 

    E-Print Network [OSTI]

    Suh, Inseon

    2000-01-01

    Kinetic studies of the isoprene oxidation reactions initiated by the hydroxyl radical OH and the chlorine atom Cl have been investigated using a fast-flow reactor in conjunction with chemical ionization mass spectrometry (CIMS) and using laser...

  13. Elucidating Hydrogen Oxidation/Evolution Kinetics in Base and...

    Office of Scientific and Technical Information (OSTI)

    Elucidating Hydrogen OxidationEvolution Kinetics in Base and Acid by Enhanced Activities at the Optimized Pt Shell Thickness on the Ru Core Citation Details In-Document Search...

  14. Integrating Acclimated Kinetic Envelopes into Sustainable Building Design 

    E-Print Network [OSTI]

    Wang, Jialiang

    2014-05-28

    affects the energy usage of a building. In an effort to simultaneously consider and satisfy all of the various indoor comfort requirements, changing climatic conditions can generate conflicting conditions. Acclimated Kinetic Envelope (AKE) is a notion...

  15. Cellular Senescence: Ex Vivo p53-Dependent Asymmetric Cell Kinetics

    E-Print Network [OSTI]

    Rambhatla, Lakshmi

    2001-01-01

    Although senescence is a defining property of euploid mammalian cells, its physiologic basis remains obscure. Previously, cell kinetics properties of normal tissue cells have not been considered in models for senescence. ...

  16. Mechanistic kinetic modeling of the hydrocracking of complex feedstocks 

    E-Print Network [OSTI]

    Kumar, Hans

    2009-05-15

    Two separate mechanistic kinetic models have been developed for the hydrocracking of complex feedstocks. The first model is targeted for the hydrocracking of vacuum gas oil. The second one addresses specifically the hydrocracking of long...

  17. Active shapes : introducing guidelines for designing kinetic architectural structures

    E-Print Network [OSTI]

    El-Zanfaly, Dina E

    2011-01-01

    This thesis proposes guidelines for designing kinetic architectural structures, in which rules based on shape grammars, are used for motion capturing and design. There is an increasing demand for adaptive architecture that ...

  18. Topobo : a 3-D constructive assembly system with kinetic memory

    E-Print Network [OSTI]

    Raffle, Hayes Solos, 1974-

    2004-01-01

    We introduce Topobo, a 3-D constructive assembly system em- bedded with kinetic memory, the ability to record and playback physical motion. Unique among modeling systems is Topobo's coincident physical input and output ...

  19. Thermodynamic and kinetic analyses of the CO2 chemisorption mechanism...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Thermodynamic and kinetic analyses of the CO2 chemisorption mechanism on Na2TiO3: Experimental and theoretical evidences Citation Details In-Document Search Title:...

  20. Energy landscapes, folding mechanisms and kinetics of RNA tetraloop hairpins

    E-Print Network [OSTI]

    Chakraborty, Debayan; Collepardo-Guevara, Rosana; Wales, David J.

    2014-12-02

    of its biological functions, are poorly understood. In this work, we use the discrete path sampling (DPS) approach to explore the energy landscapes of two RNA tetraloop hairpins, and provide insights into their folding mechanisms and kinetics in atomistic...

  1. Dissolution Kinetics of Pyrochlore Ceramics for the Disposition of Plutonium.

    SciTech Connect (OSTI)

    Icenhower, Jonathan P.; Strachan, Denis M.; McGrail, B. Peter; Scheele, Randall D.; Rodriguez, Elsa A.; Steele, Jackie L.; Legore, Virginia L.

    2006-01-30

    This is an article in which the dissolution kinetics of titanate ceramics are reported and discussed. These ceramics are made with non-radioactive elements as analogues to those made with Pu.

  2. Crystallization Kinetics of Thermosensitive Colloids Probed by Transmission Spectroscopy

    E-Print Network [OSTI]

    Wu, Jianzhong

    Crystallization Kinetics of Thermosensitive Colloids Probed by Transmission Spectroscopy Shijun hard spheres, soft spheres, and PNIPAM spheres. Introduction Crystallization of colloidal systems systems.1-15 In recent years, colloidal crystals have been used extensively for the fabrication

  3. Kinetic and Performance Studies of the Regeneration Phase of...

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

    Studies of the Regeneration Phase of Model PtRhBa NOx Traps for Design and Optimization Kinetic and Performance Studies of the Regeneration Phase of Model PtRhBa NOx...

  4. 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.

  5. Kinetics of Mercury(II) Adsorption and Desorption on Soil

    E-Print Network [OSTI]

    Sparks, Donald L.

    Kinetics of Mercury(II) Adsorption and Desorption on Soil Y U J U N Y I N , H E R B E R T E . A L L of Delaware, Newark, Delaware 19716 D O N A L D L . S P A R K S Department of Plant and Soil Sciences kinetics of Hg(II) on four soils at pH 6 were investigated to discern the mechanisms controlling

  6. Precipitation kinetics in ultra-high lime softening 

    E-Print Network [OSTI]

    Peacock, Edward Dale

    1986-01-01

    PRECIPITATION KINETICS IN ULTRA-HIGH LIME SOFTENING A Thesis EDWARD DALE PEACOCK Submitted to the Graduate College of Texas ABM University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE August l986 Major... Subject: Civil Engineering PRECIPITATION KINETICS IN ULTRA-HIGH LIME SOFTENING A Thesis by EDWARD DALE PEACOCK Approved as to style and content by: Bill Batchelor (Chair of Commi e) T D. eynol s (Member) Michael T. Lo necker (Member) Donald Mc...

  7. Point kinetics calculations with fully coupled thermal fluids reactivity feedback

    SciTech Connect (OSTI)

    Zhang, H.; Zou, L.; Andrs, D.; Zhao, H.; Martineau, R.

    2013-07-01

    The point kinetics model has been widely used in the analysis of the transient behavior of a nuclear reactor. In the traditional nuclear reactor system safety analysis codes such as RELAP5, the reactivity feedback effects are calculated in a loosely coupled fashion through operator splitting approach. This paper discusses the point kinetics calculations with the fully coupled thermal fluids and fuel temperature feedback implemented into the RELAP-7 code currently being developed with the MOOSE framework. (authors)

  8. Peptide concentration alters intermediate species in amyloid ? fibrillation kinetics

    SciTech Connect (OSTI)

    Garvey, M., E-mail: megan.garvey@molbiotech.rwth-aachen.de [Max-Planck Research Unit for Enzymology of Protein Folding, Weinbergweg 22, 06120 Halle (Saale) (Germany); Morgado, I., E-mail: immorgado@ualg.pt [Max-Planck Research Unit for Enzymology of Protein Folding, Weinbergweg 22, 06120 Halle (Saale) (Germany)

    2013-04-12

    Highlights: ? A?(1–40) aggregation in vitro has been monitored at different concentrations. ? A?(1–40) fibrillation does not always follow conventional kinetic mechanisms. ? We demonstrate non-linear features in the kinetics of A?(1–40) fibril formation. ? At high A?(1–40) concentrations secondary processes dictate fibrillation speed. ? Intermediate species may play significant roles on final amyloid fibril development. -- Abstract: The kinetic mechanism of amyloid aggregation remains to be fully understood. Investigations into the species present in the different kinetic phases can assist our comprehension of amyloid diseases and further our understanding of the mechanism behind amyloid ? (A?) (1–40) peptide aggregation. Thioflavin T (ThT) fluorescence and transmission electron microscopy (TEM) have been used in combination to monitor A?(1–40) aggregation in vitro at both normal and higher than standard concentrations. The observed fibrillation behaviour deviates, in several respects, from standard concepts of the nucleation–polymerisation models and shows such features as concentration-dependent non-linear effects in the assembly mechanism. A?(1–40) fibrillation kinetics do not always follow conventional kinetic mechanisms and, specifically at high concentrations, intermediate structures become populated and secondary processes may further modify the fibrillation mechanism.

  9. Engineering model reduction of bio-chemical kinetic David Csercsik, Katalin M. Hangos

    E-Print Network [OSTI]

    Gorban, Alexander N.

    Engineering model reduction of bio-chemical kinetic models D´avid Csercsik, Katalin M. Hangos, Hungary Significance and Aim Bio-chemical kinetic models of enzyme kinetic processes, as well reaction kinetic scheme. Therefore it is of great importance to develop bio-chemically meaningful

  10. Chemistry 231 Fall 2013 Chemistry 231, Chemical Kinetics and Molecular Reaction Dynamics

    E-Print Network [OSTI]

    Continetti, Robert E.

    Chemistry 231 Fall 2013 Chemistry 231, Chemical Kinetics and Molecular Reaction Dynamics Dept chemical kinetics, the connection between chemical kinetics and molecular reaction dynamics as well as some and Hase, Prentice Hall (1999) 4. Chemical Kinetics, K.J. Laidler, McGraw Hill (1965) 5. Gas Phase Reaction

  11. en Traducci i Interpretaci

    E-Print Network [OSTI]

    multilingües Domini de les competències informàtiques i informacionals #12;Formació bàsica Aprofundir en el'informàtica, tecnologia, documentació, literatura, dret, ciències, economia, lingüística... Iniciar-se en la

  12. Gravitationally Induced Particle Production: Thermodynamics and Kinetic Theory

    E-Print Network [OSTI]

    J. A. S. Lima; I. P. Baranov

    2014-11-24

    A relativistic kinetic description for the irreversible thermodynamic process of gravitationally induced particle production is proposed in the context of an expanding Friedmann-Robertson-Walker (FRW) geometry. We show that the covariant thermodynamic treatment referred to as "adiabatic" particle production provoked by the cosmic time-varying gravitational field has a consistent kinetic counterpart. The variation of the distribution function is associated to a non-collisional kinetic term of quantum-gravitational origin which is proportional to the ratio $\\Gamma/H$, where $\\Gamma$ is the gravitational particle production rate and H is the Hubble parameter. For $\\Gamma gravitation. The resulting non-equilibrium distribution function has the same functional form of equilibrium with the evolution laws corrected by the particle production process. The macroscopic temperature evolution law is also kinetically derived for massive and massless particles. The present approach points to the possibility of an exact (semi-classical) quantum-gravitational kinetic treatment by incorporating back-reaction effects in the cosmic background.

  13. General solutions for the oxidation kinetics of polymers

    SciTech Connect (OSTI)

    Gillen, K.T.; Clough, R.L.; Wise, J.

    1996-08-01

    The simplest general kinetic schemes applicable to the oxidation of polymers are presented, discussed and analyzed in terms of the underlying kinetic assumptions. For the classic basic autoxidation scheme (BAS), which involves three bimolecular termination steps and is applicable mainly to unstabilized polymers, typical assumptions used singly or in groups include (1) long kinetic chain length, (2) a specific ratio of the termination rate constants and (3) insensitivity to the oxygen concentration (e.g., domination by a single termination step). Steady-state solutions for the rate of oxidation are given in terms of one, two, three, or four parameters, corresponding respectively to three, two, one, or zero kinetic assumptions. The recently derived four-parameter solution predicts conditions yielding unusual dependencies of the oxidation rate on oxygen concentration and on initiation rate, as well as conditions leading to some unusual diffusion-limited oxidation profile shapes. For stabilized polymers, unimolecular termination schemes are typically more appropriate than bimolecular. Kinetics incorporating unimolecular termination reactions are shown to result in very simple oxidation expressions which have been experimentally verified for both radiation-initiated oxidation of an EPDM and thermoxidative degradation of nitrile and chloroprene elastomers.

  14. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Sarathy, S M

    2010-11-15

    Predictive engine simulation models are needed to make rapid progress towards DOE's goals of increasing combustion engine efficiency and reducing pollutant emissions. These engine simulation models require chemical kinetic submodels to allow the prediction of the effect of fuel composition on engine performance and emissions. Chemical kinetic models for conventional and next-generation transportation fuels need to be developed so that engine simulation tools can predict fuel effects. The objectives are to: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.

  15. Kinetics of bond formation in crosslinked gelatin gels

    E-Print Network [OSTI]

    T. Abete; E. Del Gado; D. Hellio Serughetti; L. de Arcangelis; M. Djabourov; A. Coniglio

    2006-11-07

    In chemical crosslinking of gelatin solutions, two different time scales affect the kinetics of the gel formation in the experiments. We complement the experimental study with Monte Carlo numerical simulations of a lattice model. This approach shows that the two characteristic time scales are related to the formation of single bonds crosslinker-chain and of bridges between chains. In particular their ratio turns out to control the kinetics of the gel formation. We discuss the effect of the concentration of chains. Finally our results suggest that, by varying the probability of forming bridges as an independent parameter, one can finely tune the kinetics of the gelation via the ratio of the two characteristic times.

  16. Kinetics of the carbon monoxide oxidation reaction under microwave heating

    SciTech Connect (OSTI)

    Perry, W.L.; Katz, J.D.; Rees, D.; Paffett, M.T. [Los Alamos National Lab., NM (United States); Datye, A. [Univ. of New Mexico, Albuquerque, NM (United States)

    1996-06-01

    915 MHz microwave heating has been used to drive the CO oxidation reaction over Pd/Al{sub 2}O{sub 3} with out significantly affecting the reaction kinetics. As compared to an identical conventionally heated system, the activation energy, pre-exponential factor, and reaction order with respect to CO were unchanged. Temperature was measured using a thermocouple extrapolation technique. Microwave-induced thermal gradients were found to play a significant role in kinetic observations. The authors chose the CO oxidation reaction over a supported metal catalyst because the reaction kinetics are well known, and because of the diverse dielectric properties of the various elements in the system: CO is a polar molecule, O{sub 2} and CO{sub 2} are non-polar, Al{sub 2}O{sub 3} is a dielectric, and Pt and Pd are conductors.

  17. Kinetics of high-conversion hydrocracking of bitumen

    SciTech Connect (OSTI)

    Nagaishi, H.; Gray, M.R.; Chan, E.W.; Sanford, E.C.

    1995-12-31

    Residues are complex mixtures of thousands of components. This mixture will change during hydrocracking, so that high conversion may result in a residue material with different characteristics from the starting material. Our objective is to determine the kinetics of residue conversion and yields of distillates at high conversions, and to relate these observations to the underlying chemical reactions. Athabasca bitumen was reacted in a 1-L CSTR in a multipass operation. Product from the first pass was collected, then run through the reactor again and so on, giving kinetic data under conditions that simulated a multi-reactor or packed-bed operation. Experiments were run both with hydrocracking catalyst and without added catalyst. Products were analyzed by distillation, elemental analysis, NMR, and GPC. These data will be used to derive a kinetic model for hydrocracking of bitumen residue covering a wide range of conversion (from 30% to 95%+), based on the underlying chemistry.

  18. Magnetic Field Rotations in the Solar Wind at Kinetic Scales

    E-Print Network [OSTI]

    Chen, C H K; Burgess, D; Horbury, T S

    2015-01-01

    The solar wind magnetic field contains rotations at a broad range of scales, which have been extensively studied in the MHD range. Here we present an extension of this analysis to the range between ion and electron kinetic scales. The distribution of rotation angles was found to be approximately log-normal, shifting to smaller angles at smaller scales almost self-similarly, but with small, statistically significant changes of shape. The fraction of energy in fluctuations with angles larger than $\\alpha$ was found to drop approximately exponentially with $\\alpha$, with e-folding angle $9.8^\\circ$ at ion scales and $0.66^\\circ$ at electron scales, showing that large angles ($\\alpha > 30^\\circ$) do not contain a significant amount of energy at kinetic scales. Implications for kinetic turbulence theory and the dissipation of solar wind turbulence are discussed.

  19. Kinetic Alfvén wave turbulence and formation of localized structures

    SciTech Connect (OSTI)

    Sharma, R. P.; Modi, K. V.; Mechanical Engineering Department, Government Engineering College Valsad, Gujarat 396001

    2013-08-15

    This work presents non-linear interaction of magnetosonic wave with kinetic Alfvén wave for intermediate ?-plasma (m{sub e}/m{sub i}???1). A set of dimensionless equations have been developed for analysis by considering ponderomotive force due to pump kinetic Alfvén wave in the dynamics of magnetosonic wave. Stability analysis has been done to study modulational instability or linear growth rate. Further, numerical simulation has been carried out to study the nonlinear stage of instability and resulting power spectrum applicable to solar wind around 1 AU. Due to the nonlinearity, background density of magnetosonic wave gets modified which results in localization of kinetic Alfvén wave. From the obtained results, we observed that spectral index follows k{sup ?3.0}, consistent with observation received by Cluster spacecraft for the solar wind around 1 AU. The result shows the steepening of power spectrum which may be responsible for heating and acceleration of plasma particles in solar wind.

  20. Widening the Axion Window via Kinetic and Stückelberg Mixings

    E-Print Network [OSTI]

    Gary Shiu; Wieland Staessens; Fang Ye

    2015-11-17

    We point out that kinetic and St\\"uckelberg mixings that are generically present in the low energy effective action of axions can significantly widen the window of axion decay constants. We show that an effective super-Planckian decay constant can be obtained even when the axion kinetic matrix has only sub-Planckian entries. Our minimal model involves only two axions, a St\\"uckelberg U(1) and a modest rank instanton generating non-Abelian group. Below the mass of the St\\"uckelberg U(1), there is only a single axion with a non-perturbatively generated potential. In contrast to previous approaches, the enhancement of the axion decay constant is not tied to the number of degrees of freedom introduced. We also discuss how kinetic mixings can lower the decay constant to the desired axion dark matter window. String theory embeddings of this scenario and their phenomenological features are briefly discussed.

  1. Benchmarking kinetic calculations of resistive wall mode stability

    SciTech Connect (OSTI)

    Berkery, J. W.; Sabbagh, S. A.; Liu, Y. Q.; Betti, R.

    2014-05-15

    Validating the calculations of kinetic resistive wall mode (RWM) stability is important for confidently predicting RWM stable operating regions in ITER and other high performance tokamaks for disruption avoidance. Benchmarking the calculations of the Magnetohydrodynamic Resistive Spectrum—Kinetic (MARS-K) [Y. Liu et al., Phys. Plasmas 15, 112503 (2008)], Modification to Ideal Stability by Kinetic effects (MISK) [B. Hu et al., Phys. Plasmas 12, 057301 (2005)], and Perturbed Equilibrium Nonambipolar Transport (PENT) [N. Logan et al., Phys. Plasmas 20, 122507 (2013)] codes for two Solov'ev analytical equilibria and a projected ITER equilibrium has demonstrated good agreement between the codes. The important particle frequencies, the frequency resonance energy integral in which they are used, the marginally stable eigenfunctions, perturbed Lagrangians, and fluid growth rates are all generally consistent between the codes. The most important kinetic effect at low rotation is the resonance between the mode rotation and the trapped thermal particle's precession drift, and MARS-K, MISK, and PENT show good agreement in this term. The different ways the rational surface contribution was treated historically in the codes is identified as a source of disagreement in the bounce and transit resonance terms at higher plasma rotation. Calculations from all of the codes support the present understanding that RWM stability can be increased by kinetic effects at low rotation through precession drift resonance and at high rotation by bounce and transit resonances, while intermediate rotation can remain susceptible to instability. The applicability of benchmarked kinetic stability calculations to experimental results is demonstrated by the prediction of MISK calculations of near marginal growth rates for experimental marginal stability points from the National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)].

  2. A coke oven model including thermal decomposition kinetics of tar

    SciTech Connect (OSTI)

    Munekane, Fuminori; Yamaguchi, Yukio [Mitsubishi Chemical Corp., Yokohama (Japan); Tanioka, Seiichi [Mitsubishi Chemical Corp., Sakaide (Japan)

    1997-12-31

    A new one-dimensional coke oven model has been developed for simulating the amount and the characteristics of by-products such as tar and gas as well as coke. This model consists of both heat transfer and chemical kinetics including thermal decomposition of coal and tar. The chemical kinetics constants are obtained by estimation based on the results of experiments conducted to investigate the thermal decomposition of both coal and tar. The calculation results using the new model are in good agreement with experimental ones.

  3. Infrared absorption spectroscopy and chemical kinetics of free radicals

    SciTech Connect (OSTI)

    Curl, R.F.; Glass, G.P. [Rice Univ., Houston, TX (United States)

    1993-12-01

    This research is directed at the detection, monitoring, and study of chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. During the last year, infrared kinetic spectroscopy using excimer laser flash photolysis and color-center laser probing has been employed to study the high resolution spectrum of HCCN, the rate constant of the reaction between ethynyl (C{sub 2}H) radical and H{sub 2} in the temperature region between 295 and 875 K, and the recombination rate of propargyl (CH{sub 2}CCH) at room temperature.

  4. Spectroscopy and kinetics of combustion gases at high temperatures

    SciTech Connect (OSTI)

    Hanson, R.K.; Bowman, C.T. [Stanford Univ., CA (United States)

    1993-12-01

    This program involves two complementary activities: (1) development and application of cw ring dye laser absorption methods for sensitive detection of radical species and measurement of fundamental spectroscopic parameters at high temperatures; and (2) shock tube studies of reaction kinetics relevant to combustion. Species currently under investigation in the spectroscopic portion of the research include NO and CH{sub 3}; this has necessitated the continued operated at wavelengths in the range 210-230 nm. Shock tube studies of reaction kinetics currently are focussed on reactions involving CH{sub 3} radicals.

  5. Chemical and kinetic equilibrations via radiative parton transport

    E-Print Network [OSTI]

    Bin Zhang; Warner A. Wortman

    2011-02-21

    A hot and dense partonic system can be produced in the early stage of a relativistic heavy ion collision. How it equilibrates is important for the extraction of Quark-Gluon Plasma properties. We study the chemical and kinetic equilibrations of the Quark-Gluon Plasma using a radiative transport model. Thermal and Color-Glass-Condensate motivated initial conditions are used. We observe that screened parton interactions always lead to partial pressure isotropization. Different initial pressure anisotropies result in the same asymptotic evolution. Comparison of evolutions with and without radiative processes shows that chemical equilibration interacts with kinetic equilibration and radiative processes can contribute significantly to pressure isotropization.

  6. General non-minimal kinetic coupling to gravity

    SciTech Connect (OSTI)

    Granda, L.N.; Cardona, W. E-mail: wilalbca@univalle.edu.co

    2010-07-01

    We study a model of scalar field with a general non-minimal kinetic coupling to itself and to the curvature, as a source of dark energy, and analyze the cosmological dynamics of this model and the issue of accelerated expansion. Solutions giving rise to power-law expansion have been found. The dynamical equation of state is studied for the two cases, without and with free kinetic term . In the first case, a behavior very close to that of the cosmological constant was found. In the second case, a solution was found, which match the current phenomenology of the dark energy. The model shows a rich variety of dynamical scenarios.

  7. Bifurcation in kinetic equation for interacting Fermi systems

    E-Print Network [OSTI]

    Klaus Morawetz

    2003-01-27

    The finite duration of collisions appear as time-nonlocality in the kinetic equation. Analyzing the corresponding quantum kinetic equation for dense interacting Fermi systems a delay differential equation is obtained which combines time derivatives with finite time stepping known from the logistic mapping. The responsible delay time is explicitly calculated and discussed. As a novel feature oscillations in the time evolution of the distribution function itself appear and bifurcations up to chaotic behavior can occur. The temperature and density conditions are presented where such oscillations and bifurcations arise indicating an onset of phase transition.

  8. Recent advances in the kinetics of oxygen reduction

    SciTech Connect (OSTI)

    Adzic, R.

    1996-07-01

    Oxygen reduction is considered an important electrocatalytic reaction; the most notable need remains improvement of the catalytic activity of existing metal electrocatalysts and development of new ones. A review is given of new advances in the understanding of reaction kinetics and improvements of the electrocatalytic properties of some surfaces, with focus on recent studies of relationship of the surface properties to its activity and reaction kinetics. The urgent need is to improve catalytic activity of Pt and synthesize new, possibly non- noble metal catalysts. New experimental techniques for obtaining new level of information include various {ital in situ} spectroscopies and scanning probes, some involving synchrotron radiation. 138 refs, 18 figs, 2 tabs.

  9. Electron beam kinetics: numerical results Discussion of the experiments

    E-Print Network [OSTI]

    Zharkova, Valentina V.

    Electron beam kinetics: numerical results Discussion of the experiments In all the experiments the first set of Figures presents the differential energy spectra dN/dE for electron beams at a given depth presents the beam's mean electron flux. For comparison all the results for Experiments 1-3 are presented

  10. Metabolic and Kinetic Analysis of Poly(3-Hydroxybutyrate) Production by

    E-Print Network [OSTI]

    constant at 1.1 min-1 . All major consumption and production rates were quantified. The intracellularMetabolic and Kinetic Analysis of Poly(3-Hydroxybutyrate) Production by Recombinant Escherichia Abstract: A quantitatively repeatable protocol was devel- oped for poly(3-hydroxybutyrate) (PHB) production

  11. Kinetics of inactivation of indicator pathogens during thermophilic anaerobic digestion

    E-Print Network [OSTI]

    Kinetics of inactivation of indicator pathogens during thermophilic anaerobic digestion Sudeep C Thermophilic anaerobic digestion Pathogen inactivation Ascaris suum Helminth eggs Poliovirus Enteric viruses a b s t r a c t Thermophilic anaerobic sludge digestion is a promising process to divert waste

  12. The Inverse Kinetics Method and PID Compensation of the

    E-Print Network [OSTI]

    spent working with me to understand the nuclear reactor theory. Additional thanks to Dr. Parma for all.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 2.2 Nuclear Reaction TheoryThe Inverse Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin

  13. KINETIC ANALYSIS OF BIOMOLECULAR INTERACTIONS USING LABEL-FREE BIOSENSORS

    E-Print Network [OSTI]

    Zhu, Xiangdong

    KINETIC ANALYSIS OF BIOMOLECULAR INTERACTIONS USING LABEL-FREE BIOSENSORS Yung-Shin Sun1 and X. D-free biosensors involves the monitoring of binding between biomolecules. However, a number of experimental may be avoided or resolved. Using a label-free oblique-incidence reflectivity difference biosensor

  14. Modeling the Kinetics of Bimolecular Reactions Antonio Fernandez-Ramos

    E-Print Network [OSTI]

    Truhlar, Donald G

    -dependent energy transfer processes. The section on thermal reactions has a heavy emphasis on (generalized-Phase Thermal Reactions 4518 2.1. Thermodynamics: Enthalpies and Free Energies of Reaction 4518 2.2. Kinetics 4520 2.2.1. Arrhenius Parameters and Free Energy of Activation 4520 2.2.2. Collision Theory 4521 2

  15. Kinetics of hyperpolarized 13 C1-pyruvate transport

    E-Print Network [OSTI]

    Frydman, Lucio

    and their metabolic products, whereas gradient-based techniques can localize the spatial source of these spectralKinetics of hyperpolarized 13 C1-pyruvate transport and metabolism in living human breast cancer) Metabolic fluxes can serve as specific biomarkers for detecting malignant transformations, tumor progression

  16. Kinetic Energy Is Important in the Nanoscale World Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    that a is the best trial function of the three because it gives the lowest total energy, the primary criterionKinetic Energy Is Important in the Nanoscale World Frank Rioux Department of Chemistry College phenomena found in textbooks are expressed in terms of potential-energy-only (PEO) models. Inclusion

  17. Kinetic model for nitric oxide formation during pulverized coal combustion

    SciTech Connect (OSTI)

    Mitchell, J.W.; Tarbell, J.M.

    1982-03-01

    A mathematical model of NO formation during pulverised coal combustion was developed from a proposed kinetic mechanism involving 12 overall chemical reactions. Most significantly, the model describes the complex conversion of coal bound nitrogen compounds to NO during combustion. The predictions of the model compare favourably with literature data and are in qualitative agreement with trends observed in practical coal combustion.

  18. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-17

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO2 production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  19. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-20

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  20. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K.

    2008-08-15

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran and co-workers for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet-stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels. (author)

  1. Thermal Decomposition of Natural Fibers: Global Kinetic Modeling with Nonisothermal

    E-Print Network [OSTI]

    with consideration of fiber as one pseudocomponent. Ma´lek method with activation energy values previously obtainedThermal Decomposition of Natural Fibers: Global Kinetic Modeling with Nonisothermal.interscience.wiley.com). ABSTRACT: The modeling of thermal decomposition process of ten natural fibers commonly used in polymer

  2. The QSSA in Chemical Kinetics: As Taught and as Practiced

    E-Print Network [OSTI]

    Craciun, Gheorghe

    . Rawlings, and Gheorghe Craciun Abstract Chemical mechanisms for even simple reaction networks involve manyThe QSSA in Chemical Kinetics: As Taught and as Practiced Casian Pantea, Ankur Gupta, James B to the main reactants and products, present in larger concentrations. The chemical mechanism also often

  3. Kinetic Model Reduction using Integer and Semi-infinite Programming

    E-Print Network [OSTI]

    of Philosophy in Chemical Engineering Abstract In this work an optimization-based approach to kinetic model Submitted to the Department of Chemical Engineering in partial fulfillment of the requirements for the degree of Doctor of Philosophy in Chemical Engineering at the MASSACHUSETTS INSTITUTE OF TECHNOLOGY

  4. Pyrolysis kinetics of Melon (Citrullus colocynthis L.) seed husk

    E-Print Network [OSTI]

    Nyakuma, Bemgba Bevan

    2015-01-01

    This study is aimed at investigating the thermochemical fuel characteristics and kinetic decomposition of melon seed husks (MSH) under inert (pyrolysis) conditions. The calorific value, elemental composition, proximate analyses and thermal kinetics of MSH was examined. The kinetic parameters; activation energy E and frequency factor A for MSH decomposition under pyrolysis conditions were determined using the Kissinger and isoconversional Flynn-Wall-Ozawa (FWO) methods. The values of E for MSH ranged from 146.81 to 296 kJ/mol at degrees of conversion {\\alpha} = 0.15 to 0.60 for FWO. The decomposition of MSH process was fastest at {\\alpha} = 0.15 and slowest at {\\alpha} = 0.60 with average E and A values of 192.96 kJ/mol and 2.86 x 1026 min-1, respectively at correlation values of 0.9847. The kinetic values of MSH using the Kissinger method are E = 161.26 kJ/mol and frequency factor, A = 2.08 x 1010 min-1 with the correlation value, R2 = 0.9958. The results indicate that MSH possesses important characteristics ...

  5. Hydrogen pickup measurements in zirconium alloys: Relation to oxidation kinetics

    E-Print Network [OSTI]

    Motta, Arthur T.

    Hydrogen pickup measurements in zirconium alloys: Relation to oxidation kinetics Adrien Couet a to reduce hydrogen pickup during operation, and the associated cladding degradation. The present study focuses on precisely and accurately measuring hydrogen pickup fraction for a set of alloys to specifically

  6. Optimization of a Microfluidic Mixer for Studying Protein Folding Kinetics

    E-Print Network [OSTI]

    Santiago, Juan G.

    Optimization of a Microfluidic Mixer for Studying Protein Folding Kinetics David E. Hertzog with numerical simulations to minimize the mixing time of a microfluidic mixer developed for protein folding reported continuous flow mixer for protein folding. Fast events in protein folding often occur

  7. Femtomole Mixer for Microsecond Kinetic Studies of Protein Folding

    E-Print Network [OSTI]

    Michalet, Xavier

    Femtomole Mixer for Microsecond Kinetic Studies of Protein Folding David E. Hertzog,, Xavier a microfluidic mixer for studying protein folding and other reactions with a mixing time of 8 µs and sample) measurements of single-stranded DNA. We also demon- strate the feasibility of measuring fast protein folding

  8. Kinetics of gene derepression by ERK signaling , Nria Samperb

    E-Print Network [OSTI]

    Shvartsman, Stanislav "Stas"

    Kinetics of gene derepression by ERK signaling Bomyi Lima , Núria Samperb , Hang Luc , Christine February 25, 2013) ERK controls gene expression in development, but mechanisms that link ERK activation to study transcriptional interpretation of ERK signaling during Dro- sophila embryogenesis, at a stage when

  9. Generalised hydrodynamic reductions of the kinetic equation for soliton gas

    E-Print Network [OSTI]

    Generalised hydrodynamic reductions of the kinetic equation for soliton gas Gennady A. El1 , Maxim of Russian Academy of Sciences, Moscow, 53 Leninskij Prospekt, Moscow, Russia 3 Laboratory of Geometric, Moscow, Russia 4 Institute for Nuclear Research, National Academy of Sciences of Ukraine, 47 pr. Nauky

  10. Kinetic Controls on Cu and Pb Sorption by Ferrihydrite

    E-Print Network [OSTI]

    Sparks, Donald L.

    important sorbents in soils, sediments, and water bodies and is frequently used for wastewater treatment (1 on the kinetics of metal uptake by ferrihydrite gel than by dense ferrihydrite. Independently of treatment that the surfaces of primary particles with diameters of only a few nanometers are accessible even after aggregation

  11. Statistical Analysis of Protein Folding Kinetics Aaron R. Dinner

    E-Print Network [OSTI]

    Dinner, Aaron

    Statistical Analysis of Protein Folding Kinetics Aaron R. Dinner , Sung-Sau So ¡ , and Martin and theoretical studies over several years have led to the emergence of a unified general mechanism for protein folding that serves as a framework for the design and interpretation of research in this area [1

  12. Scaling of asymmetric magnetic reconnection: Kinetic particleincell simulations

    E-Print Network [OSTI]

    of this scaling theory using fully electromagnetic particleincell simulations of antiparallel asymmetric magnetic, outflow speeds, and outflow densities are consistent with the general scaling theory. This implies that kinetic electron and proton physics beyond the Hall term does not fundamentally alter the gross properties

  13. Desorption Kinetics of Methanol, Ethanol, and Water from Graphene

    SciTech Connect (OSTI)

    Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

    2014-09-18

    The desorption kinetics of methanol, ethanol, and water from graphene covered Pt(111) are investigated. The temperature programmed desorption (TPD) spectra for both methanol and ethanol have well-resolved first, second, third, and multilayer layer desorption peaks. The alignment of the leading edges is consistent with zero-order desorption kinetics from all layers. In contrast, for water the first and second layers are not resolved. At low water coverages (< 1 ML) the initial desorption leading edges are aligned but then fall out of alignment at higher temperatures. For thicker water layers (10 to 100 ML), the desorption leading edges are in alignment throughout the desorption of the film. The coverage dependence of the desorption behavoir suggests that at low water coverages the non-alignment of the desorption leading edges is due to water dewetting from the graphene substrate. Kinetic simulations reveal that the experimental results are consistent with zero-order desorption. The simulations also show that fractional order desorption kinetics would be readily apparent in the experimental TPD spectra.

  14. Single-particle kinetics of influenza virus membrane fusion

    E-Print Network [OSTI]

    Single-particle kinetics of influenza virus membrane fusion Daniel L. Floyd*, Justin R. Ragains for review July 24, 2008) Membrane fusion is an essential step during entry of enveloped viruses into cells. Conventional fusion assays are generally limited to observation of ensembles of multiple fusion events

  15. Enzyme Kinetics: Theory and Practice Alistair Rogers and Yves Gibon

    E-Print Network [OSTI]

    Rogers, Alistair

    to the right, and the reverse reaction is infinitesimally small. We can define the reaction rate or velocity (v Enzymes, like all positive catalysts, dramatically increase the rate of a given reaction. Enzyme kinetics is principally concerned with the measurement and math- ematical description of this reaction rate and its

  16. Kinetic Modeling of Counterflow Diffusion Flames of Butadiene

    E-Print Network [OSTI]

    Senkan, Selim M.

    Kinetic Modeling of Counterflow Diffusion Flames of Butadiene SILVIA GRANATA, TIZIANO FARAVELLI structures of counterflow diffusion and fuel-rich premixed 1,3-butadiene flames, to better understand the need for improved models and also the opportunity of new experiments of butadiene oxidation

  17. Thermochemistry and Kinetics of Silicon Hydride Cluster Formation during Thermal Decomposition of Silane

    E-Print Network [OSTI]

    Swihart, Mark T.

    Thermochemistry and Kinetics of Silicon Hydride Cluster Formation during Thermal Decomposition of Silane Mark T. Swihart*, and Steven L. Girshick Department of Mechanical Engineering, Uni an extensive chemical kinetic mechanism for silicon hydride cluster formation during silane pyrolysis

  18. Progress in an oxygen-carrier reaction kinetics experiment for rotary-bed chemical looping combustion

    E-Print Network [OSTI]

    Jester-Weinstein, Jack (Jack L.)

    2013-01-01

    The design process for an experimental platform measuring reaction kinetics in a chemical looping combustion (CLC) process is documented and justified. To enable an experiment designed to characterize the reaction kinetics ...

  19. Characterizing osmotic lysis kinetics under microfluidic hydrodynamic focusing for erythrocyte fragility studies

    E-Print Network [OSTI]

    Lu, Chang

    Characterizing osmotic lysis kinetics under microfluidic hydrodynamic focusing for erythrocyte microfluidic tool for examining erythrocyte fragility based on characterizing osmotic lysis kinetics deformability include osmotic fragility tests,18­20 filtration,21,22 ektacytometry,23­25 rheoscopy,26

  20. Hydration kinetics modeling of Portland cement considering the effects of curing temperature and applied pressure

    E-Print Network [OSTI]

    Meyer, Christian

    pressure. However, elevated temperatures and high pressures are frequently encountered in oil wells whereHydration kinetics modeling of Portland cement considering the effects of curing temperature 2006 Accepted 28 January 2009 Keywords: Hydration Kinetics Portland cement Modeling Thermodynamics

  1. Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and David H. Olson,

    E-Print Network [OSTI]

    Li, Jing

    Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene Kunhao Li, David H the first examples of MMOFs that are capable of kinetic separation of propane and propene (propylene), which

  2. MSE 3050, Thermodynamics and Kinetics of Materials, Leonid Zhigilei Review of classical thermodynamics

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    MSE 3050, Thermodynamics and Kinetics of Materials, Leonid Zhigilei Review of classical thermodynamics Fundamental Laws, Properties and Processes (1) First Law - Energy Balance Thermodynamic functions material in any other textbook on thermodynamics #12;MSE 3050, Thermodynamics and Kinetics of Materials

  3. Application of Genetic Algorithms and Thermogravimetry to Determine the Kinetics of Polyurethane Foam in Smoldering Combustion 

    E-Print Network [OSTI]

    Rein, Guillermo; Lautenberger, Chris; Fernandez-Pello, Carlos; Torero, Jose L; Urban, David

    In this work, the kinetic parameters governing the thermal and oxidative degradation of flexible polyurethane foam are determined using thermogravimetric data and a genetic algorithm. These kinetic parameters are needed ...

  4. KINETIC MODELING OF FUEL EFFECTS OVER A WIDE RANGE OF CHEMISTRY...

    Office of Scientific and Technical Information (OSTI)

    KINETIC MODELING OF FUEL EFFECTS OVER A WIDE RANGE OF CHEMISTRY, PROPERTIES, AND SOURCES Citation Details In-Document Search Title: KINETIC MODELING OF FUEL EFFECTS OVER A WIDE...

  5. A kinetic-MHD model for low frequency phenomena

    SciTech Connect (OSTI)

    Cheng, C.Z.

    1991-07-01

    A hybrid kinetic-MHD model for describing low-frequency phenomena in high beta anisotropic plasmas that consist of two components: a low energy core component and an energetic component with low density. The kinetic-MHD model treats the low energy core component by magnetohydrodynamic (MHD) description, the energetic component by kinetic approach such as the gyrokinetic equation, and the coupling between the dynamics of these two components through plasma pressure in the momentum equation. The kinetic-MHD model optimizes both the physics contents and the theoretical efforts in studying low frequency MHD waves and transport phenomena in general magnetic field geometries, and can be easily modified to include the core plasma kinetic effects if necessary. It is applicable to any magnetized collisionless plasma system where the parallel electric field effects are negligibly small. In the linearized limit two coupled eigenmode equations for describing the coupling between the transverse Alfven type and the compressional Alfven type waves are derived. The eigenmode equations are identical to those derived from the full gyrokinetic equation in the low frequency limit and were previously analyzed both analytically nd numerically to obtain the eigenmode structure of the drift mirror instability which explains successfully the multi-satellite observation of antisymmetric field-aligned structure of the compressional magnetic field of Pc 5 waves in the magnetospheric ring current plasma. Finally, a quadratic form is derived to demonstrate the stability of the low-frequency transverse and compressional Alfven type instabilities in terms of the pressure anisotropy parameter {tau} and the magnetic field curvature-pressure gradient parameter. A procedure for determining the stability of a marginally stable MHD wave due to wave-particle resonances is also presented.

  6. A parametric sensitivity study of entropy production and kinetic energy dissipation using the FAMOUS AOGCM

    E-Print Network [OSTI]

    Tailleux, Remi

    A parametric sensitivity study of entropy production and kinetic energy dissipation using of APE and entropy production associated with kinetic energy dissipation, with the standard FAMOUS values of the conjecture of maximum APE production (or equivalently maximum dissipation of kinetic energy). Keywords

  7. Gas-Kinetic Finite Volume Methods K. Xu, L. Martinelli, A. Jameson

    E-Print Network [OSTI]

    Jameson, Antony

    Gas-Kinetic Finite Volume Methods K. Xu, L. Martinelli, A. Jameson Department of M.A.E, Princeton University, Prificeton N.J. 08544, USA 1 Introduction Gas-kinetic schemes developed from the BGK model have been successfully applied to 1-D and 2-D flows [1,2]. One of the advantages of the gas-kinetic approach

  8. Edinburgh Research Explorer A rule-based kinetic model of RNA polymerase II C-terminal

    E-Print Network [OSTI]

    Millar, Andrew J.

    phosphorylation Citation for published version: Aitken, S, Alexander, RD & Beggs, JD 2013, 'A rule-based kinetic. Interface Stuart Aitken, Ross D. Alexander and Jean D. Beggs domain phosphorylation A rule-based kinetic.royalsocietypublishing.org Research Cite this article: Aitken S, Alexander RD, Beggs JD. 2013 A rule-based kinetic model of RNA

  9. Protein folding kinetics: timescales, pathways and energy landscapes in terms of sequence-dependent properties

    E-Print Network [OSTI]

    Thirumalai, Devarajan

    Protein folding kinetics: timescales, pathways and energy landscapes in terms of sequence and theoretical studies have revealed that protein folding kinetics can be quite complex and diverse depending theoretical understanding of the kinetics of protein folding [1­8]. The general scenarios that have emerged

  10. Using Stochastic Roadmap Simulation to Predict Experimental Quantities in Protein Folding Kinetics: Folding Rates and

    E-Print Network [OSTI]

    Latombe, Jean-Claude

    Using Stochastic Roadmap Simulation to Predict Experimental Quantities in Protein Folding Kinetics for studying protein folding kinetics. It uses the recently intro- duced Stochastic Roadmap Simulation (SRS validate the SRS method and indicate its potential as a general tool for studying protein folding kinetics

  11. The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear

    E-Print Network [OSTI]

    Wirosoetisno, Djoko

    The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear spectral fluxes) The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear spectral fluxes as seen-to-Stratosphere Transition in Kinetic Energy Spectra and Nonlinear Spectral Fluxes as Seen in ECMWF Analyses B. H. BURGESS

  12. Cientficas en Ciencias

    E-Print Network [OSTI]

    Escolano, Francisco

    17:40 - Inestabilidades de ladera y terremotos en España. J. Delgado 18:00 - El desastre de Vajont. S terremotos de mayor magnitud? J.J. Martínez Díaz Descanso / Café Campañas de concienciación sísmica en la

  13. A Pore Scale Evaluation of the Kinetics of Mineral Dissolution and Precipitation Reactions (EMSI)

    SciTech Connect (OSTI)

    Steefel, Carl I.

    2006-06-01

    The chief goals for CEKA are to (1) collect and synthesize molecular-level kinetic data into a coherent framework that can be used to predict time evolution of environmental processes over a range of temporal and spatial scales; (2) train a cohort of talented and diverse students to work on kinetic problems at multiple scales; (3) develop and promote the use of new experimental techniques in environmental kinetics; (4) develop and promote the use of new modeling tools to conceptualize reaction kinetics in environmental systems; and (5) communicate our understanding of issues related to environmental kinetics and issues of scale to the broader scientific community and to the public.

  14. Apoyando los esfuerzos en

    E-Print Network [OSTI]

    Nacional Autónoma de México, Universidad

    Serie: Apoyando los esfuerzos en el manejo y protección de la biodiversidad tropical Serie: Apoyando los esfuerzos en el manejo y protección de la biodiversidad tropical 7 Densidad absoluta y protección de la biodiversidad tropical Densidad absoluta y conservación del jaguar y sus presas en la Región

  15. Nonequilibrium sensing and its analogy to kinetic proofreading

    E-Print Network [OSTI]

    Hartich, David; Seifert, Udo

    2015-01-01

    For a paradigmatic model of chemotaxis, we analyze the effect how a nonzero affinity driving receptors out of equilibrium affects sensitivity. This affinity arises whenever changes in receptor activity involve ATP hydrolysis. The sensitivity integrated over a ligand concentration range is shown to be enhanced by the affinity, providing a measure of how much energy consumption improves sensing. With this integrated sensitivity we can establish an intriguing analogy between sensing with nonequilibrium receptors and kinetic proofreading: the increase in integrated sensitivity is equivalent to the decrease of the error in kinetic proofreading. The influence of the occupancy of the receptor on the phosphorylation and dephosphorylation reaction rates is shown to be crucial for the relation between integrated sensitivity and affinity. This influence can even lead to a regime where a nonzero affinity decreases the integrated sensitivity, which corresponds to anti-proofreading.

  16. Hydro-kinetic approach to relativistic heavy ion collisions

    E-Print Network [OSTI]

    Akkelin, S V; Karpenko, Iu A; Sinyukov, Yu M

    2008-01-01

    We develop a combined hydro-kinetic approach which incorporates hydrodynamical expansion of the systems formed in \\textit{A}+\\textit{A} collisions and their dynamical decoupling described by escape probabilities. The method corresponds to a generalized relaxation time ($\\tau_{\\text{rel}}$) approximation for Boltzmann equation applied to inhomogeneous expanding systems; at small $\\tau_{\\text{rel}}$ it also allows one to catch the viscous effects in hadronic component - hadron-resonance gas. We demonstrate how the approximation of sudden freeze-out can be obtained within this dynamical picture of continuous emission and find that hypersurfaces, corresponding to sharp freeze-out limit, are momentum dependent. The pion $m_{T}$ spectra are computed in the developed hydro-kinetic model, and compared with those obtained from ideal hydrodynamics with the Cooper-Frye isothermal prescription. Our results indicate that there does not exist a universal freeze-out temperature for pions with different momenta, and support ...

  17. Elastohydrodynamics and kinetics of protein patterning in the immunological synapse

    E-Print Network [OSTI]

    Carlson, Andreas

    2015-01-01

    The cellular basis for the adaptive immune response during antigen recognition relies on a specialized protein interface known as the immunological synapse (IS). Understanding the biophysical basis for protein patterning by deciphering the quantitative rules for their formation and motion is an important aspect of characterizing immune cell recognition and thence the rules for immune system activation. We propose a minimal mathematical model for the physical basis of membrane protein patterning in the IS, which encompass membrane mechanics, protein binding kinetics and motion, and fluid flow in the synaptic cleft. Our theory leads to simple predictions for the spatial and temporal scales of protein cluster formation, growth and arrest as a function of membrane stiffness, rigidity and kinetics of the adhesive proteins, and the fluid in the synaptic cleft. Numerical simulations complement these scaling laws by quantifying the nucleation, growth and stabilization of proteins domains on the size of the cell. Dire...

  18. Active transport: A kinetic description based on thermodynamic grounds

    E-Print Network [OSTI]

    S. Kjelstrup; J. M. Rubi; D. Bedeaux

    2004-12-17

    We show that active transport processes in biological systems can be understood through a local equilibrium description formulated at the mesoscale, the scale to describe stochastic processes. This new approach uses the method established by nonequilibrium thermodynamics to account for the irreversible processes occurring at this scale and provides nonlinear kinetic equations for the rates in terms of the driving forces. The results show that the application domain of nonequilibrium thermodynamics method to biological systems goes beyond the linear domain. A model for transport of Ca$^{2+}$ by the Ca$^{2+}$-ATPase, coupled to the hydrolysis of adenosine-triphosphate is analyzed in detail showing that it depends on the reaction Gibbs energy in a non-linear way. Our results unify thermodynamic and kinetic descriptions, thereby opening new perspectives in the study of different transport phenomena in biological systems.

  19. RESOLUTION OF URANIUM ISOTOPES WITH KINETIC PHOSPHORESCENCE ANALYSIS

    SciTech Connect (OSTI)

    Miley, Sarah M.; Hylden, Anne T.; Friese, Judah I.

    2013-04-01

    This study was conducted to test the ability of the Chemchek™ Kinetic Phosphorescence Analyzer Model KPA-11 with an auto-sampler to resolve the difference in phosphorescent decay rates of several different uranium isotopes, and therefore identify the uranium isotope ratios present in a sample. Kinetic phosphorescence analysis (KPA) is a technique that provides rapid, accurate, and precise determination of uranium concentration in aqueous solutions. Utilizing a pulsed-laser source to excite an aqueous solution of uranium, this technique measures the phosphorescent emission intensity over time to determine the phosphorescence decay profile. The phosphorescence intensity at the onset of decay is proportional to the uranium concentration in the sample. Calibration with uranium standards results in the accurate determination of actual concentration of the sample. Different isotopes of uranium, however, have unique properties which should result in different phosphorescence decay rates seen via KPA. Results show that a KPA is capable of resolving uranium isotopes.

  20. Excitation of kinetic Alfvén waves by fast electron beams

    SciTech Connect (OSTI)

    Chen, L.; Wu, D. J.; Zhao, G. Q. [Purple Mountain Observatory, CAS, Nanjing (China); Tang, J. F. [Xinjiang Astronomical Observatory, CAS, Urumqi 830011 (China); Huang, J., E-mail: clvslc214@pmo.ac.cn, E-mail: djwu@pmo.ac.cn, E-mail: gqzhao@pmo.ac.cn, E-mail: jftang@xao.ac.cn, E-mail: huangj@bao.ac.cn [Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing (China)

    2014-09-20

    Energetic electron beams, which are ubiquitous in a large variety of active phenomena in space and astrophysical plasmas, are one of the most important sources that drive plasma instabilities. In this paper, taking account of the return-current effect of fast electron beams, kinetic Alfvén wave (KAW) instability driven by a fast electron beam is investigated in a finite-? plasma of Q < ? < 1 (where ? is the kinetic-to-magnetic pressure ratio and Q ? m{sub e} /m{sub i} is the mass ratio of electrons to ions). The results show that the kinetic resonant interaction of beam electrons is the driving source for KAW instability, unlike the case driven by a fast ion beam, where both the kinetic resonant interaction of beam ions and the return-current are the driving source for the KAW instability. KAW instability has a nonzero growth rate in the range of the perpendicular wave number, 0

  1. Observable Gravitational Waves From Kinetically Modified Non-Minimal Inflation

    E-Print Network [OSTI]

    C. Pallis

    2015-10-08

    We consider Supersymmetric (SUSY) and non-SUSY models of chaotic inflation based on the simplest power-law potential with exponents n=2 and 4. We propose a convenient non-minimal coupling to gravity and a non-minimal kinetic term which ensure, mainly for n=4, inflationary observables favored by the BICEP2/Keck Array and Planck results. Inflation can be attained for subplanckian inflaton values with the corresponding effective theories retaining the perturbative unitarity up to the Planck scale.

  2. Observable Gravitational Waves From Kinetically Modified Non-Minimal Inflation

    E-Print Network [OSTI]

    Pallis, C

    2015-01-01

    We consider Supersymmetric (SUSY) and non-SUSY models of chaotic inflation based on the simplest power-law potential with exponents n=2 and 4. We propose a convenient non-minimal coupling to gravity and a non-minimal kinetic term which ensure, mainly for n=4, inflationary observables favored by the BICEP2/Keck Array and Planck results. Inflation can be attained for subplanckian inflaton values with the corresponding effective theories retaining the perturbative unitarity up to the Planck scale.

  3. Fab 5: noncanonical kinetic gravity, self tuning, and cosmic acceleration

    SciTech Connect (OSTI)

    Appleby, Stephen A.; Linder, Eric V. [Institute for the Early Universe WCU, Ewha Womans University, Seoul (Korea, Republic of); Felice, Antonio De, E-mail: stephen.appleby@ewha.ac.kr, E-mail: adefelic@gmail.com, E-mail: evlinder@lbl.gov [ThEP's CRL, NEP, The Institute for Fundamental Study, Naresuan University, Phitsanulok 65000 (Thailand)

    2012-10-01

    We investigate circumstances under which one can generalize Horndeski's most general scalar-tensor theory of gravity. Specifically we demonstrate that a nonlinear combination of purely kinetic gravity terms can give rise to an accelerating universe without the addition of extra propagating degrees of freedom on cosmological backgrounds, and exhibit self tuning to bring a large cosmological constant under control. This nonlinear approach leads to new properties that may be instructive for exploring the behaviors of gravity.

  4. Tolman's law in linear irreversible thermodynamics: a kinetic theory approach

    E-Print Network [OSTI]

    A. Sandoval-Villalbazo; A. L. Garcia-Perciante; D. Brun-Battistini

    2012-07-10

    In this paper it is shown that Tolman's law can be derived from relativistic kinetic theory applied to a simple fluid in a BGK-like approximation. Using this framework, it becomes clear that the contribution of the gravitational field can be viewed as a cross effect that resembles the so-called \\emph{Thomson effect} in irreversible thermodynamics. A proper generalization of Tolman's law in an inhomogeneous medium is formally established based on these grounds.

  5. A kinetic model for the liquefaction of Texas lignite 

    E-Print Network [OSTI]

    Haley, Sandra Kay

    1980-01-01

    the Wilcox formation was uti- lized. Previous dissolution studies were conducted with bituminous ard subbituminous coals mined in other states. Secondly, the methods This thesis follows the style of the AIChE Journal. of analysis employed on the reaction... conditions, coal characteristics, catalyst effects), others delved into the kinetics and attempted to model their systems. Wiser (1968) utilized a Utah high-volatile bituminous coal and conducted thermal dissolution studies at temperatures ranging from...

  6. Kinetic Modeling and Assessment of Lime Pretreatment of Poplar Wood 

    E-Print Network [OSTI]

    Sierra Ramirez, Rocio

    2012-02-14

    , industrial, and agricultural). 5. Appropriate selection of feedstock and conversion technology. 6. Improved efficiency of the production technology obtained through intensive research and development. 7. More efficient use of energy, including vehicle...-1 KINETIC MODELING AND ASSESSMENT OF LIME PRETREATMENT OF POPLAR WOOD A Dissertation by ROCIO SIERRA RAMIREZ Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree...

  7. Master equation approach to protein folding and kinetic traps

    E-Print Network [OSTI]

    Marek Cieplak; Malte Henkel; Jan Karbowski; Jayanth R. Banavar

    1998-04-21

    The master equation for 12-monomer lattice heteropolymers is solved numerically and the time evolution of the occupancy of the native state is determined. At low temperatures, the median folding time follows the Arrhenius law and is governed by the longest relaxation time. For good folders, significant kinetic traps appear in the folding funnel whereas for bad folders, the traps also occur in non-native energy valleys.

  8. Kinetics of Slurry Phase Fischer-Tropsch Synthesis

    SciTech Connect (OSTI)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski; Lech Nowicki; Madhav Nayapati

    2006-12-31

    The overall objective of this project is to develop a comprehensive kinetic model for slurry-phase Fischer-Tropsch synthesis (FTS) employing iron-based catalysts. This model will be validated with experimental data obtained in a stirred-tank slurry reactor (STSR) over a wide range of process conditions. Three STSR tests of the Ruhrchemie LP 33/81 catalyst were conducted to collect data on catalyst activity and selectivity under 25 different sets of process conditions. The observed decrease in 1-olefin content and increase in 2-olefin and n-paraffin contents with the increase in conversion are consistent with a concept that 1-olefins participate in secondary reactions (e.g. 1-olefin hydrogenation, isomerization and readsorption), whereas 2-olefins and n-paraffins are formed in these reactions. Carbon number product distribution showed an increase in chain growth probability with increase in chain length. Vapor-liquid equilibrium calculations were made to check validity of the assumption that the gas and liquid phases are in equilibrium during FTS in the STSR. Calculated vapor phase compositions were in excellent agreement with experimental values from the STSR under reaction conditions. Discrepancies between the calculated and experimental values for the liquid-phase composition (for some of the experimental data) are ascribed to experimental errors in the amount of wax collected from the reactor, and the relative amounts of hydrocarbon wax and Durasyn 164 oil (start-up fluid) in the liquid samples. Kinetic parameters of four kinetic models (Lox and Froment, 1993b; Yang et al., 2003; Van der Laan and Beenackers, 1998, 1999; and an extended kinetic model of Van der Laan and Beenackers) were estimated from experimental data in the STSR tests. Two of these kinetic models (Lox and Froment, 1993b; Yang et al., 2003) can predict a complete product distribution (inorganic species and hydrocarbons), whereas the kinetic model of Van der Laan and Beenackers (1998, 1999) can be used only to fit product distribution of total olefins and n-paraffins. The kinetic model of Van der Laan and Beenackers was extended to account separately for formation of 1- and 2-olefins, as well as n-paraffins. A simplified form of the kinetic model of Lox and Froment (1993b) has only five parameters at isothermal conditions. Because of its relative simplicity, this model is well suited for initial studies where the main goal is to learn techniques for parameter estimation and statistical analysis of estimated values of model parameters. The same techniques and computer codes were used in the analysis of other kinetic models. The Levenberg-Marquardt (LM) method was employed for minimization of the objective function and kinetic parameter estimation. Predicted reaction rates of inorganic and hydrocarbon species were not in good agreement with experimental data. All reaction rate constants and activation energies (24 parameters) of the Yang et al. (2003) model were found to be positive, but the corresponding 95% confidence intervals were large. Agreement between predicted and experimental reaction rates has been fair to good. Light hydrocarbons were predicted fairly accurately, whereas the model predictions of higher molecular weight hydrocarbons values were lower than the experimental ones. The Van der Laan and Beenackers kinetic model (known as olefin readsorption product distribution model = ORPDM) provided a very good fit of the experimental data for hydrocarbons (total olefins and n-paraffins) up to about C{sub 20} (with the exception of experimental data that showed higher paraffin formation rates in C{sub 12}-C{sub 25} region, due to hydrocracking or other secondary reactions). Estimated values of all model parameters (true and pseudo-kinetic parameters) had high statistical significance after combining parameters related to olefin termination and readsorption into one (total of 7 model parameters). The original ORPDM was extended to account separately for formation of 1- and 2-olefins, and successfully employed to fit experimental data of three majo

  9. Kinetic theory of nonlinear transport phenomena in complex plasmas

    SciTech Connect (OSTI)

    Mishra, S. K. [Institute for Plasma Research (IPR), Gandhinagar 382428 (India); Sodha, M. S. [Centre for Energy Studies (CES), Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)

    2013-03-15

    In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.

  10. Einstein static Universe in non-minimal kinetic coupled gravity

    E-Print Network [OSTI]

    K. Atazadeh; F. Darabi

    2015-04-18

    We study the stability of Einstein static Universe, with FLRW metric, by considering linear homogeneous perturbations in the kinetic coupled gravity. By taking linear homogeneous perturbations, we find that the stability of Einstein static Universe, in the kinetic coupled gravity with quadratic scalar field potential, for closed ($K=1$) isotropic and homogeneous FLRW Universe depends on the coupling parameters $\\kappa$ and $\\varepsilon$. Specifically, for $\\kappa=L_P^2$ and $\\varepsilon=1$ we find that the stability condition imposes the inequality $a_0>\\sqrt{3}L_P$ on the initial size $a_0$ of the closed Einstein static Universe before the inflation. Such inequality asserts that the initial size of the Einstein static Universe must be greater than the Planck length $L_P$, in consistency with the quantum gravity and quantum cosmology requirements. In this way, we have determined the non-minimal coupling parameter $\\kappa$ in the context of Einstein static Universe. Such a very small parameter is favored in the inflationary models constructed in the kinetic coupled gravity. We have also studied the stability against the vector and tensor perturbations and discussed on the acceptable values of the equation of state parameter.

  11. KINETICS OF HOT-GAS DESULFURIZATION SORBENTS FOR TRANSPORT REACTORS

    SciTech Connect (OSTI)

    K.C. Kwon

    2003-02-01

    Hot-gas desulfurization for the integrated gasification combined cycle (IGCC) process has been investigated by many researchers to remove effectively hydrogen sulfide with various metal oxide sorbents at elevated temperatures. Various metal oxide sorbents are formulated with metal oxides such as Fe, Co, Zn, and Ti. Initial reaction kinetics of formulated sorbents with hydrogen sulfide is studied in the presence of various amounts of moisture and hydrogen at various reaction temperatures. The objectives of this research are to study initial reaction kinetics for a sorbent-hydrogen sulfide heterogeneous reaction system, to investigate effects of concentrations of hydrogen sulfide, hydrogen, and moisture on dynamic absorption of H{sub 2}S into sorbents, and to evaluate effects of temperature and sorbent amounts on dynamic absorption of H{sub 2}S into sorbents. Experimental data on initial reaction kinetics of hydrogen sulfide with metal oxide sorbents were obtained with a 0.83-cm{sup 3} differential reactor. The reactivity of EX-SO3 was examined in this report. This sorbent was obtained from the Research Triangle Institute (RTI). The sorbent in the form of 110 {micro}m particles are reacted with 18000-ppm hydrogen sulfide at 350-550 C. The range of space time of reaction gas mixtures is 0.069-0.088 s. The range of reaction duration is 4-180 s.

  12. Current drive by Alfv{acute e}n waves in elongated cross-section tokamak

    SciTech Connect (OSTI)

    Tsypin, V.S. [Institute of Physics, State University of Rio de Janeiro, 20550-013, Maracana, Rio de Janeiro, Rio de Janeiro (Brazil)] [Institute of Physics, State University of Rio de Janeiro, 20550-013, Maracana, Rio de Janeiro, Rio de Janeiro (Brazil); Elfimov, A.G. [Physics Institute, University of Sao Paulo, Cx. Postal 20516 Sao Paulo, Sao Paulo (Brazil)] [Physics Institute, University of Sao Paulo, Cx. Postal 20516 Sao Paulo, Sao Paulo (Brazil); Nekrasov, F.M.; de Azevedo, C.A. [Institute of Physics, State University of Rio de Janeiro, 20550-013, Maracana, Rio de Janeiro, Rio de Janeiro (Brazil)] [Institute of Physics, State University of Rio de Janeiro, 20550-013, Maracana, Rio de Janeiro, Rio de Janeiro (Brazil); de Assis, A.S. [Institute of Mathematics-Group of Applied Mathematics, Fluminense Federal University, Niteroi, Rio de Janeiro (Brazil)] [Institute of Mathematics-Group of Applied Mathematics, Fluminense Federal University, Niteroi, Rio de Janeiro (Brazil)

    1997-10-01

    The general approach to the Alfv{acute e}n wave current drive problem in tokamaks with elongated transverse cross-sections was considered in this paper. Model approximations are used to describe circulating and trapped particle dynamics. This approach gives the accuracy of some percents. The expressions for the time-averaged longitudinal current and the radio-frequency currents have been obtained. They are supposed to be useful for a further analytical and computational solution of this problem. As an example, kinetic Alfv{acute e}n waves are considered in this paper. {copyright} {ital 1997 American Institute of Physics.}

  13. S9 -Kinetics & Mechanism of Metal Sorption/Release on Natural Materials KINETICS OF OXYANION SORPTION ON METAL OXIDES: A TIME-

    E-Print Network [OSTI]

    Sparks, Donald L.

    S9 - Kinetics & Mechanism of Metal Sorption/Release on Natural Materials KINETICS OF OXYANION Whilesulfateandborateareimportantforbothenvironmentalandagronomicreasons,thechemistry of these oxyanions in soils is still poorly understood.The mechanism of sulfate-sphere adsorption occurs at lower ionic strength.ApH and ionic strength dependent mechanism of adsorption has also

  14. CHEMISTRY 223: Introductory Physical Chemistry I. Kinetics 1: Gas laws, kinetic theory of collisions. Thermodynamics: Zeroth law of thermodynamics. First law of thermodynamics, heat capacity,

    E-Print Network [OSTI]

    Ronis, David M.

    CHEMISTRY 223: Introductory Physical Chemistry I. Kinetics 1: Gas laws, kinetic theory or are taking CHEM 203 or CHEM 204. Note: Chemistry Honours and Majors must take CHEM 223 and CHEM 253 edition (Pearson Education, Inc., 2013). J.R. Barrante, Applied Mathematics for Physical Chemistry, 3rd

  15. Kinetics and mechanisms of reactions involving small aromatic reactive intermediates

    SciTech Connect (OSTI)

    Lin, M.C. [Emory Univ., Atlanta, GA (United States)

    1993-12-01

    Small aromatic radicals such as C{sub 6}H{sub 5}, C{sub 6}H{sub 5}O and C{sub 6}H{sub 4} are key prototype species of their homologs. C{sub 6}H{sub 5} and its oxidation product, C{sub 6}H{sub 5}O are believed to be important intermediates which play a pivotal role in hydrocarbon combustion, particularly with regard to soot formation. Despite their fundamental importance, experimental data on the reaction mechanisms and reactivities of these species are very limited. For C{sub 6}H{sub 5}, most kinetic data except its reactions with NO and NO{sub 2}, were obtained by relative rate measurements. For C{sub 6}H{sub 5}O, the authors have earlier measured its fragmentation reaction producing C{sub 5}H{sub 5} + CO in shock waves. For C{sub 6}H{sub 4}, the only rate constant measured in the gas phase is its recombination rate at room temperature. The authors have proposed to investigate systematically the kinetics and mechanisms of this important class of molecules using two parallel laser diagnostic techniques--laser resonance absorption (LRA) and resonance enhanced multiphoton ionization mass spectrometry (REMPI/MS). In the past two years, study has been focused on the development of a new multipass adsorption technique--the {open_quotes}cavity-ring-down{close_quotes} technique for kinetic applications. The preliminary results of this study appear to be quite good and the sensitivity of the technique is at least comparable to that of the laser-induced fluorescence method.

  16. Relativistic (covariant) kinetic theory of linear plasma waves and instabilities

    SciTech Connect (OSTI)

    Lazar, M. [Institut fuer Theoretische Physik, Lehrstuhl IV: Weltraum- und Astrophysik, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); 'Alexandru Ioan Cuza' University, Faculty of Physics, 6600 Iasi (Romania); Schlickeiser, R. [Institut fuer Theoretische Physik, Lehrstuhl IV: Weltraum- und Astrophysik, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); Centre for Plasma Science and Astrophysics, Ruhr-University, D-44780 Bochum (Germany)

    2006-06-19

    The fundamental kinetic description is of vital importance in high-energy astrophysics and fusion plasmas where wave phenomena evolve on scales small comparing with binary collision scales. A rigorous relativistic analysis is required even for nonrelativistic plasma temperatures for which the classical theory yielded unphysical results: e.g. collisonless damping of superluminal waves (phase velocity exceeds the speed of light). The existing nonrelativistic approaches are now improved by covariantly correct dispersion theory. As an important application, the Weibel instability has been recently investigated and confirmed as the source of primordial magnetic field in the intergalactic medium.

  17. Chemical Kinetics in Support of Syngas Turbine Combustion

    SciTech Connect (OSTI)

    Dryer, Frederick

    2007-07-31

    This document is the final report on an overall program formulated to extend our prior work in developing and validating kinetic models for the CO/hydrogen/oxygen reaction by carefully analyzing the individual and interactive behavior of specific elementary and subsets of elementary reactions at conditions of interest to syngas combustion in gas turbines. A summary of the tasks performed under this work are: 1. Determine experimentally the third body efficiencies in H+O{sub 2}+M = HO{sub 2}+M (R1) for CO{sub 2} and H{sub 2}O. 2. Using published literature data and the results in this program, further develop the present H{sub 2}/O{sub 2}/diluent and CO/H{sub 2}/O{sub 2}/diluent mechanisms for dilution with CO{sub 2}, H{sub 2}O and N{sub 2} through comparisons with new experimental validation targets for H{sub 2}-CO-O{sub 2}-N{sub 2} reaction kinetics in the presence of significant diluent fractions of CO{sub 2} and/or H{sub 2}O, at high pressures. (task amplified to especially address ignition delay issues, see below). 3. Analyze and demonstrate issues related to NOx interactions with syngas combustion chemistry (task amplified to include interactions of iron pentacarbonyl with syngas combustion chemistry, see below). 4. Publish results, including updated syngas kinetic model. Results are summarized in this document and its appendices. Three archival papers which contain a majority of the research results have appeared. Those results not published elsewhere are highlighted here, and will appear as part of future publications. Portions of the work appearing in the above publications were also supported in part by the Department of Energy under Grant No. DE-FG02-86ER-13503. As a result of and during the research under the present contract, we became aware of other reported results that revealed substantial differences between experimental characterizations of ignition delays for syngas mixtures and ignition delay predictions based upon homogenous kinetic modeling. We adjusted emphasis of Task 2 to understand the source of these noted disparities because of their key importance to developing lean premixed combustion technologies of syngas turbine applications. In performing Task 3, we also suggest for the first time the very significant effect that metal carbonyls may have on syngas combustion properties. This work is fully detailed. The work on metal carbonyl effects is entirely computational in nature. Pursuit of experimental verification of these interactions was beyond the scope of the present work.

  18. Multiple Higgs-Portal and Gauge-Kinetic Mixings

    E-Print Network [OSTI]

    S. Y. Choi; C. Englert; P. M. Zerwas

    2013-10-29

    We develop a phenomenological formalism for mixing effects between the Standard Model and hidden-sector fields, motivated by dark matter in the Universe as well as string theories. The scheme includes multiple Higgs-portal interactions in the scalar sector as well as multiple gauge-kinetic mixings in the abelian gauge sector. While some of the mixing effects can be cast in closed form, other elements can be controlled analytically only by means of perturbative expansions in the ratio of standard scales over large hidden scales. Higgs and vector-boson masses and mixings are illustrated numerically for characteristic processes.

  19. Bio-butanol: Combustion properties and detailed chemical kinetic model

    SciTech Connect (OSTI)

    Black, G.; Curran, H.J.; Pichon, S.; Simmie, J.M.; Zhukov, V.

    2010-02-15

    Autoignition delay time measurements were performed at equivalence ratios of 0.5, 1 and 2 for butan-1-ol at reflected shock pressures of 1, 2.6 and 8 atm at temperatures from 1100 to 1800 K. High-level ab initio calculations were used to determine enthalpies of formation and consequently bond dissociation energies for each bond in the alcohol. A detailed chemical kinetic model consisting of 1399 reactions involving 234 species was constructed and tested against the delay times and also against recent jet-stirred reactor speciation data with encouraging results. The importance of enol chemistry is highlighted. (author)

  20. Correction to kinetic energy density using exactly solvable model

    E-Print Network [OSTI]

    Alexey Sergeev; Raka Jovanovic; Sabre Kais; Fahhad H Alharbi

    2015-06-03

    An accurate non-gradient-expansion based correction to Thomas--Fermi is developed using solvable model. The used model is a system of $N$ non-interacting electrons moving independently in the Coulomb field of the nuclear charge. The presented correction is applicable for atoms and should be extendable beyond that. The method exploits the fact that the difference between the Thomas--Fermi approximation and the non-interacting kinetic energy is comparable to the difference between the same values inside the proposed solvable model. The numerical experiments show that by adding this correction factor, the precision of Thomas--Fermi approximation is enhanced by an order of magnitude.

  1. Non-minimal Kinetic coupling to gravity and accelerated expansion

    SciTech Connect (OSTI)

    Granda, L.N.

    2010-07-01

    We study a scalar field with kinetic term coupled to itself and to the curvature, as a source of dark energy, and analyze the role of this new coupling in the accelerated expansion at large times. In the case of scalar field dominance, the scalar field and potential giving rise to power-law expansion are found in some cases, and a dynamical equation of state is calculated for a given solution of the field equations. A behavior very close to that of the cosmological constant was found.

  2. Microsecond Microfluidic Mixing for Investigation of Protein Folding Kinetics

    SciTech Connect (OSTI)

    Hertzog, D E; Santiago, J G; Bakajin, O

    2005-02-10

    We have developed and characterized a mixer to study the reaction kinetics of protein folding on a microsecond timescale. The mixer uses hydrodynamic focusing of pressure-driven flow in a microfluidic channel to reduce diffusion times as first demonstrated by Knight et al.[1]. Features of the mixer include 1 {micro}s mixing times, sample consumptions of order 1 nl/s, loading sample volumes on the order of microliters, and the ability to manufacture in fused silica for compatibility with most spectroscopic methods.

  3. A microfluidic device for investigating crystal nucleation kinetics

    E-Print Network [OSTI]

    Philippe Laval; Jean-Baptiste Salmon; Mathieu Joanicot

    2006-12-20

    We have developed an original setup using microfluidic tools allowing one to produce continuously monodisperse microreactors ($\\approx 100$ nL), and to control their temperatures as they flow in the microdevice. With a specific microchannels geometry, we are able to apply large temperature quenches to droplets containing a KNO$_3$ solution (up to 50$^{\\circ}$C in 10 s), and then to follow nucleation kinetics at high supersaturations. By measuring the probability of crystal presence in the droplets as a function of time, we estimate the nucleation rate for different supersaturations, and confront our results to the classical nucleation theory.

  4. Thermodynamic and kinetic control of the lateral Si wire growth

    SciTech Connect (OSTI)

    Dedyulin, Sergey N. Goncharova, Lyudmila V.

    2014-03-24

    Reproducible lateral Si wire growth has been realized on the Si (100) surface. In this paper, we present experimental evidence showing the unique role that carbon plays in initiating lateral growth of Si wires on a Si (100) substrate. Once initiated in the presence of ?5 ML of C, lateral growth can be achieved in the range of temperatures, T?=?450–650?°C, and further controlled by the interplay of the flux of incoming Si atoms with the size and areal density of Au droplets. Critical thermodynamic and kinetic aspects of the growth are discussed in detail.

  5. Anisotropic inflation with non-abelian gauge kinetic function

    SciTech Connect (OSTI)

    Murata, Keiju [DAMTP, University of Cambridge, Centre for Mathematical Sciences, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Soda, Jiro, E-mail: K.Murata@damtp.cam.ac.uk, E-mail: jiro@tap.scphys.kyoto-u.ac.jp [Department of Physics, Kyoto University, Kyoto, 606-8502 (Japan)

    2011-06-01

    We study an anisotropic inflation model with a gauge kinetic function for a non-abelian gauge field. We find that, in contrast to abelian models, the anisotropy can be either a prolate or an oblate type, which could lead to a different prediction from abelian models for the statistical anisotropy in the power spectrum of cosmological fluctuations. During a reheating phase, we find chaotic behaviour of the non-abelian gauge field which is caused by the nonlinear self-coupling of the gauge field. We compute a Lyapunov exponent of the chaos which turns out to be uncorrelated with the anisotropy.

  6. A Semiclassical Kinetic Theory of Dirac Particles and Thomas Precession

    E-Print Network [OSTI]

    Dayi, O F

    2015-01-01

    Kinetic theory of Dirac fermions is studied within the matrix valued differential forms method. It is based on the symplectic form derived by employing the semiclassical wave packet build of the positive energy solutions of the Dirac equation. A satisfactory definition of the distribution matrix elements imposes to work in the basis where the helicity is diagonal which is also needed to attain the massless limit. We show that the kinematic Thomas precession correction can be studied straightforwardly within this approach. It contributes on an equal footing with the Berry gauge fields. In fact in equations of motion it eliminates the terms arising from the Berry gauge fields.

  7. Kinetic Theory of Turbulent Multiphase Flow | The Ames Laboratory

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would likeUniverseIMPACTThousand Cubic Feet) SoldDepartmentGOES-10PV GridPhase 1Kinetic

  8. Diplme Universitaire INGENIERIE ET CONSEIL EN SANTE

    E-Print Network [OSTI]

    Di Girolami, Cristina

    , Dr en pharmacie, nutritionniste Mr Guinchard, médecin psychiatre Mr Pichon, Infirmier spécialisé en

  9. En defensa de Elsinor

    E-Print Network [OSTI]

    Martí nez, Gloria Marí a

    1993-10-01

    proceso unido a sus intereses vitales mismos: profesionales, artístico-creativos, sociales, ideo-estéticos . . . ; en sus contradicciones de estilos, de métodos, de poéticas teatrales, pero con principios comunes en torno al teatrista que reclama formar..., y de graduados interesados en los Cursos de Post-grado y Entrenamientos que allí se desarrollan. Abierta a la diversidad, la facultad ha propiciado la confrontación de alumnos y profesores con disímiles métodos de formación y creación, para lo...

  10. en Comunicaci Audiovisual

    E-Print Network [OSTI]

    Verschure, Paul

    Capacitat per a l'estudi Sociabilitat en el treball Bona predisposició per a l'ús de les tecnologies #12

  11. en Traducci i Interpretaci

    E-Print Network [OSTI]

    Verschure, Paul

    entorns multilingües Domini de les competències informàtiques i informacionals #12;Formació bàsica'informàtica, tecnologia, documentació, literatura, dret, ciències, economia, lingüística... Iniciar-se en la

  12. Temporada teatral en Chile: 1985

    E-Print Network [OSTI]

    Bravo-Elizondo, Pedro

    1986-10-01

    se dio comienzo a tales festividades: Porque creemos en la vida y en la democracia; porque nos sentimos profundamente latinoamericanos; porque creemos en la paz y en la amistad de los pueblos; porque creemos que el teatro interpreta y une a los... nuestro teatro rechaza la injusticia y la frustración, hacemos en toda Latinoamérica este primer teatrazo: POR LA VIDA Y LA DEMOCRACIA. {Cauce No. 42, octubre 1, 1985: 30). El modus operandi de las compañías que estaban representando espectáculos en...

  13. On spherically symmetric metric satisfying the positive kinetic energy coordinate condition

    E-Print Network [OSTI]

    T. Mei

    2008-02-28

    Generally speaking, there is a negative kinetic energy term in the Lagrangian of the Einstein-Hilbert action of general relativity; On the other hand, the negative kinetic energy term can be vanished by designating a special coordinate system. For general spherically symmetric metric, the question that seeking special coordinate system that satisfies the positive kinetic energy coordinate condition is referred to solving a linear first-order partial differential equation. And then, we present a metric corresponding to the Reissner-Nordstrom solution that satisfies the positive kinetic energy coordinate condition. Finally, we discuss simply the case of the Tolman metric.

  14. CATALYTIC OXIDATION OF S(IV) ON ACTIVATED CARBON IN AQUEOUS SUSPENSION: KINETICS AND MECHANISM

    E-Print Network [OSTI]

    Brodzinsky, Richard

    2012-01-01

    and Mechanism for the Catalytic Oxidation of Sulfur Dioxidekinetic study of the catalytic oxidation on carbon particlesthe kinetics of the catalytic oxidation of sulfur dioxide on

  15. Photo-oxidation of Ge Nanocrystals: Kinetic Measurements by In Situ Raman Spectroscopy

    E-Print Network [OSTI]

    2008-01-01

    Photo-oxidation of Ge Nanocrystals: Kinetic Measurements byrate enhancement is due to a photo-chemical process. Thenanocrystals can be rapidly photo-oxidized. This oxidation

  16. Shaping the composition profiles in heteroepitaxial quantum dots: Interplay of thermodynamic and kinetic effects

    SciTech Connect (OSTI)

    Georgiou, C.; Leontiou, T.; Kelires, P. C.

    2014-07-15

    Atomistic Monte Carlo simulations, coupling thermodynamic and kinetic effects, resolve a longstanding controversy regarding the origin of composition profiles in heteroepitaxial SiGe quantum dots. It is shown that profiles with cores rich in the unstrained (Si) component derive from near-equilibrium processes and intraisland diffusion. Profiles with cores rich in the strained (Ge) component are of nonequilibrium nature, i.e., they are strain driven but kinetically limited. They are shaped by the distribution of kinetic barriers of atomic diffusion in the islands. The diffusion pathways are clearly revealed for the first time. Geometrical kinetics play a minor role.

  17. PHASE-FIELD SIMULATION OF IRRADIATED METALS PART i: VOID KINETICS...

    Office of Scientific and Technical Information (OSTI)

    METALS PART i: VOID KINETICS We present a phase-field model of void formation and evolution in irradiated metals by spatially and temporally evolving vacancy and...

  18. KineticsFinal Report Cover Page Bakajin, O 59 BASIC BIOLOGICAL...

    Office of Scientific and Technical Information (OSTI)

    KineticsFinal Report Cover Page Bakajin, O 59 BASIC BIOLOGICAL SCIENCES; 42 ENGINEERING; CONSUMPTION RATES; DEAD TIME; DETECTION; DIFFUSION; DNA; ENERGY TRANSFER; FABRICATION;...

  19. Einstein-Maxwell Dirichlet walls, negative kinetic energies, and the adiabatic approximation for extreme black holes

    E-Print Network [OSTI]

    Andrade, T; Kelly, WR; Marolf, D

    2015-01-01

    a family of equal-energy solutions known as a moduli space.admit negative kinetic energy solutions with E energy of this solution to be written in

  20. KINETICS, CATALYSIS, AND REACTION ENGINEERING Staged O2 Introduction and Selective H2 Combustion during

    E-Print Network [OSTI]

    Iglesia, Enrique

    KINETICS, CATALYSIS, AND REACTION ENGINEERING Staged O2 Introduction and Selective H2 Combustion2 increased the selectivity of propane conversion to aromatics o

  1. Exploring Frontiers in Kinetics and Mechanisms of Geochemical Processes at the Mineral/Water Interface

    E-Print Network [OSTI]

    Sparks, Donald L.

    Exploring Frontiers in Kinetics and Mechanisms of Geochemical Processes at the Mineral geochemical processes including surface complexation, mineral transformations, and oxidation

  2. Esterification kinetics of triglycerides in n-hexane catalyzed by an immobilized lipase 

    E-Print Network [OSTI]

    Gomez Ruiz, Alejandro

    1998-01-01

    . The reaction was then run in a fixed bed flow reactor and the reactor performance was predicted using the batch reactor kinetics....

  3. Assessment of temperature gradients in multianvil assemblies using spinel layer growth kinetics

    E-Print Network [OSTI]

    van Westrenen, Wim

    Assessment of temperature gradients in multianvil assemblies using spinel layer growth kinetics Wim Geophysical Laboratory and Department of Terrestrial Magnetism, Carnegie Institution of Washington, 5241 Broad

  4. Kinetic theory for ows of nonhomogeneous rodlike liquid crystalline polymers with a

    E-Print Network [OSTI]

    Kinetic theory for ows of nonhomogeneous rodlike liquid crystalline polymers with a nonlocal theory for spatially homogeneous ows of rodlike liquid crystalline polymers, in which the excluded

  5. Solar kinetics` photovoltaic concentrator module and tracker development

    SciTech Connect (OSTI)

    White, D.L.; Howell, B. [Solar Kinetics, Inc., Dallas, TX (United States)

    1995-11-01

    Solar Kinetics, Inc., has been developing a point-focus concentrating photovoltaic module and tracker system under contract to Sandia National Laboratories. The primary focus of the contract was to achieve a module design that was manufacturable and passed Sandia`s environmental testing. Nine modules of two variations were assembled, tested, and characterized in Phase 1, and results of these tests were promising, with module efficiency approaching the theoretical limit achievable with the components used. The module efficiency was 11.9% at a solar irradiance of 850 W/m{sup 2} and an extrapolated cell temperature of 25{degrees}C. Improvements in module performance are anticipated as cell efficiencies meet their expectations. A 2-kW tracker and controller accommodating 20 modules was designed, built, installed, and operated at Solar Kinetics` test site. The drive used many commercially available components in an innovative arrangement to reduce cost and increase reliability. Backlash and bearing play were controlled by use of preloaded, low slip-stick, synthetic slide bearings. The controller design used a standard industrial programmable logic controller to perform ephemeris calculations, operate the actuators, and monitor encoders.

  6. Hydro-kinetic approach to relativistic heavy ion collisions

    E-Print Network [OSTI]

    S. V. Akkelin; Y. Hama; Iu. A. Karpenko; Yu. M. Sinyukov

    2008-08-28

    We develop a combined hydro-kinetic approach which incorporates a hydrodynamical expansion of the systems formed in \\textit{A}+\\textit{A} collisions and their dynamical decoupling described by escape probabilities. The method corresponds to a generalized relaxation time ($\\tau_{\\text{rel}}$) approximation for the Boltzmann equation applied to inhomogeneous expanding systems; at small $\\tau_{\\text{rel}}$ it also allows one to catch the viscous effects in hadronic component - hadron-resonance gas. We demonstrate how the approximation of sudden freeze-out can be obtained within this dynamical picture of continuous emission and find that hypersurfaces, corresponding to a sharp freeze-out limit, are momentum dependent. The pion $m_{T}$ spectra are computed in the developed hydro-kinetic model, and compared with those obtained from ideal hydrodynamics with the Cooper-Frye isothermal prescription. Our results indicate that there does not exist a universal freeze-out temperature for pions with different momenta, and support an earlier decoupling of higher $p_{T}$ particles. By performing numerical simulations for various initial conditions and equations of state we identify several characteristic features of the bulk QCD matter evolution preferred in view of the current analysis of heavy ion collisions at RHIC energies.

  7. Kinetics and deactivation of sulfated zirconia catalysts for butane isomerization

    SciTech Connect (OSTI)

    Fogash, K.B.; Larson, R.B.; Gonzalez, M.R.

    1996-09-15

    Reaction kinetics studies were conducted of n-butane and isobutane isomerization over sulfated zirconia at 423 K. The kinetic data can be described well by a rate expression based on a reversible, bimolecular surface reaction between two adsorbed n-C{sub 4} species, probably through a C{sub 8} intermediate, to produce one i-C{sub 4} species, as well as surface reaction between two adsorbed i-C{sub 4} species to produce one n-C{sub 4} species. This reaction sequence also describes well the rates of C{sub 4}-disproportionation reactions to produce C{sub 3} and C{sub 5} species. The initial rate of catalyst deactivation is faster during n-butane isomerization than during isobutane isomerization, and the longer-term rate of deactivation during n-butane isomerization increases with the pressures of n-butane. The more rapid catalyst deactivation during n-butane isomerization may be related to the formation of n-C{sub 4}-diene species. 25 refs., 10 figs., 4 tabs.

  8. Split Kinetic Energy Method for Quantum Systems with Competing Potentials

    E-Print Network [OSTI]

    H. Mineo; Sheng D. Chao

    2012-06-11

    For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution scheme based on a new energy dissection idea. Instead of dividing the potential energy into "unperturbed" and "perturbed" terms, a partition of the kinetic energy is performed. By distributing the kinetic energy term in part into each individual potential, the Hamiltonian can be expressed as the sum of the subsystem Hamiltonians with respective competing potentials. The total wavefunction is expanded by using a linear combination of the basis sets of respective subsystem Hamiltonians. We first illustrate the solution procedure using a simple system consisting of a particle under the action of double delta-function potentials. Next, this method is applied to the prototype systems of a charged harmonic oscillator in strong magnetic field and the hydrogen molecule ion. Compared with the usual perturbation approach, this new scheme converges much faster to the exact solutions for both eigenvalues and eigenfunctions. When properly extended, this new solution scheme can be very useful for dealing with strongly coupling quantum systems.

  9. Progress in Chemical Kinetic Modeling for Surrogate Fuels

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Herbinet, O; Silke, E J

    2008-06-06

    Gasoline, diesel, and other alternative transportation fuels contain hundreds to thousands of compounds. It is currently not possible to represent all these compounds in detailed chemical kinetic models. Instead, these fuels are represented by surrogate fuel models which contain a limited number of representative compounds. We have been extending the list of compounds for detailed chemical models that are available for use in fuel surrogate models. Detailed models for components with larger and more complicated fuel molecular structures are now available. These advancements are allowing a more accurate representation of practical and alternative fuels. We have developed detailed chemical kinetic models for fuels with higher molecular weight fuel molecules such as n-hexadecane (C16). Also, we can consider more complicated fuel molecular structures like cyclic alkanes and aromatics that are found in practical fuels. For alternative fuels, the capability to model large biodiesel fuels that have ester structures is becoming available. These newly addressed cyclic and ester structures in fuels profoundly affect the reaction rate of the fuel predicted by the model. Finally, these surrogate fuel models contain large numbers of species and reactions and must be reduced for use in multi-dimensional models for spark-ignition, HCCI and diesel engines.

  10. Kinetic neoclassical transport in the H-mode pedestal

    SciTech Connect (OSTI)

    Battaglia, D. J.; Chang, C. S.; Ku, S.; Grierson, B. A.; Burrell, K. H.; Grassie, J. S. de

    2014-07-15

    Multi-species kinetic neoclassical transport through the QH-mode pedestal and scrape-off layer on DIII-D is calculated using XGC0, a 5D full-f particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. Quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density, and orthogonal measurements of impurity temperature and flow profiles is achieved by adding random-walk particle diffusion to the guiding-center drift motion. The radial electric field (E{sub r}) that maintains ambipolar transport across flux surfaces and to the wall is computed self-consistently on closed and open magnetic field lines and is in excellent agreement with experiment. The E{sub r} inside the separatrix is the unique solution that balances the outward flux of thermal tail deuterium ions against the outward neoclassical electron flux and inward pinch of impurity and colder deuterium ions. Particle transport in the pedestal is primarily due to anomalous transport, while the ion heat and momentum transport are primarily due to the neoclassical transport. The full-f treatment quantifies the non-Maxwellian energy distributions that describe a number of experimental observations in low-collisionallity pedestals on DIII-D, including intrinsic co-I{sub p} parallel flows in the pedestal, ion temperature anisotropy, and large impurity temperatures in the scrape-off layer.

  11. Observation of a crossover in kinetic aggregation of Palladium colloids

    E-Print Network [OSTI]

    M. Ghafari; M. Ranjbar; S. Rouhani

    2014-12-27

    We use field emission scanning electron microscope (FE-SEM) to investigate the growth of palladium colloids over the surface of thin films of WO3/glass. The film is prepared by Pulsed Laser Deposition (PLD) at different temperatures. A PdCl2 (aq) droplet is injected on the surface and in the presence of steam hydrogen the droplet is dried through a reduction reaction process. Two distinct aggregation regimes of palladium colloids are observed over the substrates. We argue that the change in aggregation dynamics emerges when the measured water drop Contact Angel (CA) for the WO3/glass thin films passes a certain threshold value, namely CA = 46 degrees, where a crossover in kinetic aggregation of palladium colloids occurs. Our results suggest that the mass fractal dimension of palladium aggregates follows a power-law behavior. The fractal dimension (Df) in the fast aggregation regime, where the measured CA values vary from 27 up to 46 degrees, according to different substrate deposition temperatures, is Df = 1.75 (0.02). This value of Df is in excellent agreement with kinetic aggregation of other colloidal systems in fast aggregation regime. Whereas for the slow aggregation regime, with CA = 58 degrees, the fractal dimension changes abruptly to Df=1.92 (0.03). We have also used a modified Box-Counting method to calculate fractal dimension of gray-level images and observe that the crossover at around CA = 46 degrees remains unchanged.

  12. Kinetically driven ordered phase formation in binary colloidal crystals

    E-Print Network [OSTI]

    D. Bochicchio; A. Videcoq; R. Ferrando

    2013-01-25

    The aggregation of binary colloids of same size and balanced charges is studied by Brownian dynamics simulations for dilute suspensions. It is shown that, under appropriate conditions, the formation of colloidal crystals is dominated by kinetic effects leading to the growth of well-ordered crystallites of the sodium-chloride (NaCl) bulk phase. These crystallites form with very high probability even when the cesium-chloride (CsCl) phase is more stable thermodynamically. Global optimization searches show that this result is not related to the most favorable structures of small clusters, that are either amorphous or of CsCl structure. The formation of the NaCl phase is related to the specific kinetics of the crystallization process, which takes place by a two-step mechanism. In this mechanism, dense fluid aggregates form at first and then crystallization follows. It is shown that the type of short-range order in these dense fluid aggregates determines which phase is finally formed in the crystallites. The role of hydrodynamic effects in the aggregation process is analyzed by Stochastic Rotation Dynamics - Molecular Dynamics simulations, finding that these effects do not play a major role in the formation of the crystallites.

  13. Les composantes en chiffres

    E-Print Network [OSTI]

    Jeanjean, Louis

    . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5287 Proportion de l'ensemble des inscrits à l'UFC 25,70 % LES PROFILS proportion de filles 71,60 % proportion d'étudiants internationaux 10,60 % proportion de boursiers 41,70 % proportion de salariés 12,50 % proportion d'étudiants en visites au service social du CROUS 10,50 % proportion d'étudiants en visites au

  14. En nordisk database ogEn nordisk database og transkripsjonsutfordringertranskripsjonsutfordringer

    E-Print Network [OSTI]

    informant av gangen, ingenEn informant av gangen, ingen kommunikasjon mellom informantenekommunikasjon

  15. Isopiestic Kinetics of Powdered Pd/C/DPB Composite

    SciTech Connect (OSTI)

    Dinh, L; Saab, A

    2008-05-30

    In a 2006 LLNL internal report, a study of DEB and DPB based hydrogen getter materials was described. The materials, consisting of DEB or DPB physically blended with amorphous carbon on which palladium nanoparticle catalyst was supported, were studied during the course of reaction with fixed aliquots of hydrogen gas in order to observe their hydrogen consumption capacities as a function of ambient hydrogen pressure. The experiments demonstrated that the getter capacity was directly proportional to hydrogen fugacity: the lower the initial hydrogen pressure, the lower the resultant capacity at correspondingly low steady-state pressures. In the course of these experiments, further interesting observations were made of DEB and DPB reduction by hydrogen gas that painted a picture of a complicated reaction mechanism. To summarize, it was determined that reaction rate was controlled partly by diffusion of the organic diacetylene toward the catalyst surface. The results indicated this diffusion was in turn enhanced by phase changes in the course of the reaction that result in a liquid phase of the getter, and also by the heat of reaction, itself being proportional to initial reaction rate. However, these same two terms were speculated to have negative impacts on the net reaction kinetics, as well. It was suggested the liquid phase served to block gas access, and that excessively fast initial rates limited rate and capacity at later times by creating a depletion zone of reactant around the catalyst. Because of the nature of the experiments, whereby both hydrogen pressure and getter activity were changing in time, actual kinetic information could not be gathered. Knowledge of the reaction rate characteristics of these materials as a function of pressure and temperature is crucial to understanding the overall behavior of this material in service. Further, direct observation of the reaction rate can permit estimates of the diffusion of the reactive species. The present work centers on the development of an understanding of the kinetics for the hydrogenation of DPB and DEB as a function of temperature and pressure.

  16. A Comparison Study of Portland Cement Hydration Kinetics as Measured by Chemical Shrinkage and Isothermal Calorimetry

    E-Print Network [OSTI]

    Bentz, Dale P.

    1 A Comparison Study of Portland Cement Hydration Kinetics as Measured by Chemical Shrinkage methods of evaluating cement hydration kinetics, namely chemical shrinkage and isothermal calorimetry tests, are used to investigate the early stage hydration of different classes of oilwell cement

  17. American Institute of Aeronautics and Astronautics Kinetic Effects of Non-Equilibrium Plasma on Partially

    E-Print Network [OSTI]

    Ju, Yiguang

    and more attention for its potential to enhance combustion performance in gas turbines and scramjet engines, Propulsion Directorate, Wright-Patterson AFB, OH, 45433 A new plasma assisted combustion system was developed to validate an existing plasma assisted combustion kinetic model. The comparisons showed the kinetic model

  18. Kinetics of Initial Lithiation of Crystalline Silicon Electrodes of Lithium-Ion Batteries

    E-Print Network [OSTI]

    Suo, Zhigang

    Kinetics of Initial Lithiation of Crystalline Silicon Electrodes of Lithium-Ion Batteries Matt phase. KEYWORDS: Lithium-ion batteries, silicon, kinetics, plasticity Lithium-ion batteries already at the electrolyte/lithiated silicon interface, diffusion of lithium through the lithiated phase, and the chemical

  19. A gas-kinetic scheme for reactive ows Yongsheng Lian, Kun Xu*

    E-Print Network [OSTI]

    Xu, Kun

    A gas-kinetic scheme for reactive ¯ows Yongsheng Lian, Kun Xu* Department of Mathematics, Hong Kong in revised form 22 July 1999; accepted 22 July 1999 Abstract In this paper, the gas-kinetic BGK scheme for the compressible ¯ow equations is extended to chemical reactive ¯ow. The mass fraction of the unburnt gas

  20. An Alternative Derivation of Gas Pressure Using the Kinetic Theory Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    and Co., New York, 1998, pp 23-25. 2. Carpenter, D. K. J. Chem. Educ. 1966, 43, 332. 3. A survey of 15An Alternative Derivation of Gas Pressure Using the Kinetic Theory Frank Rioux Department that we conclude that the average molar kinetic energy of a gas is proportional to its absolute

  1. Kinetic Energy Driven Pairing in Cuprate Superconductors Th. A. Maier,1

    E-Print Network [OSTI]

    Jarrell, Mark

    to the potential energy that electrons can gain by forming Cooper pairs. However, recent optical experiments showKinetic Energy Driven Pairing in Cuprate Superconductors Th. A. Maier,1 M. Jarrell,2 A. Macridin,2 of the electronic potential energy accompanied by an increase in kinetic energy. In the underdoped cuprates, optical

  2. ChBE 4300 Kinetics and Reactor Design (required course) Credit: 3-0-3

    E-Print Network [OSTI]

    Sherrill, David

    , and (ii) reactor design for the homogeneous reaction systems. The design principles for ideal homogeneousChBE 4300 Kinetics and Reactor Design (required course) Credit: 3-0-3 Prerequisite in terms of reaction mechanisms, kinetics, and reactor design. Both homogeneous and heterogeneous reactions

  3. Edinburgh Research Explorer Modelling reveals kinetic advantages of co-transcriptional

    E-Print Network [OSTI]

    Millar, Andrew J.

    . Citation for published version: Aitken, S, Alexander, R & Beggs, J 2011, 'Modelling reveals kinetic. Alexander1,2 , Jean D. Beggs1,2 1 Centre for Systems Biology, University of Edinburgh, Edinburgh, United reporter. Citation: Aitken S, Alexander RD, Beggs JD (2011) Modelling Reveals Kinetic Advantages of Co

  4. Using Motion Planning to Map Protein Folding Landscapes and Analyze Folding Kinetics of Known Native Structures*

    E-Print Network [OSTI]

    Istrail, Sorin

    Using Motion Planning to Map Protein Folding Landscapes and Analyze Folding Kinetics of Known technique to study protein folding pathways of several small proteins and obtained encouraging results. In this pa- per, we describe how our motion planning framework can be used to study protein folding kinetics

  5. On the Performance of Point Kinetics for the Analysis of Accelerator Driven Systems

    E-Print Network [OSTI]

    On the Performance of Point Kinetics for the Analysis of Accelerator Driven Systems M. Eriksson kinetics to describe dynamic processes in accelerator-driven systems (ADS) is investigated. Full three of accelerator-driven systems (ADS) for the purpose of incinerating long-lived radionuclides in high- level waste

  6. Hydrochloric Acid-Catalyzed Levulinic Acid Formation from Cellulose: Data and Kinetic

    E-Print Network [OSTI]

    California at Riverside, University of

    Hydrochloric Acid-Catalyzed Levulinic Acid Formation from Cellulose: Data and Kinetic Model.com). In this study, the kinetics of the acid catalyzed hydrolysis of microcrystalline cellulose (Avicel PH101 of conditions: 160­200 C, hydrochloric acid concentrations of 0.309­0.927 M (11.3­33.8 g/l), cellulose

  7. HYDROGEN SULFIDE KINETICS ON PEM FUEL CELL ELECTRODES V. A. Sethuramana

    E-Print Network [OSTI]

    Sethuraman, Vijay A.

    HYDROGEN SULFIDE KINETICS ON PEM FUEL CELL ELECTRODES V. A. Sethuramana , L. A. Wiseb , S for the poisoning kinetics of hydrogen sulfide (H2S) on composite solid polymer electrolyte Pt (SPE-Pt) electrode, total recovery with neat hydrogen was not possible and a partial recovery was possible by a potential

  8. Thermodynamics and kinetics of competing aggregation processes in a simple model system

    E-Print Network [OSTI]

    Berry, R. Stephen

    Thermodynamics and kinetics of competing aggregation processes in a simple model system Ambarish 8 November 2007 A simple model system has been used to develop thermodynamics and kinetics for bulk and thermodynamics of the processes and to infer the conditions in which one process dominates another, in the high

  9. Surface Reaction Kinetics of Ga 1x In x P Growth During Pulsed Chemical Beam Epitaxy

    E-Print Network [OSTI]

    Surface Reaction Kinetics of Ga 1­x In x P Growth During Pulsed Chemical Beam Epitaxy N. Dietz 1 growth has been a slow process because little is known about chemical reaction properties and reaction into the surface reaction kinetics during an organometallic deposition process. These insights will allow us

  10. Power spectral analysis of Jupiter's clouds and kinetic energy from Cassini David S. Choi

    E-Print Network [OSTI]

    of wind vectors and atmospheric kinetic energy within Jupiter's troposphere. We computed power spectraPower spectral analysis of Jupiter's clouds and kinetic energy from Cassini David S. Choi , Adam P. Showman Department of Planetary Sciences, University of Arizona, Tucson, AZ 85721, USA a r t i c l e i n f

  11. The Thermodynamics and Kinetics of Protein Folding: A Lattice Model Analysis of Multiple Pathways with Intermediates

    E-Print Network [OSTI]

    Dinner, Aaron

    The Thermodynamics and Kinetics of Protein Folding: A Lattice Model Analysis of Multiple Pathways; In Final Form: May 5, 1999 The kinetics and thermodynamics of folding of a representative sequence of a 125-residue protein model subject to Monte Carlo dynamics on a simple cubic lattice were investigated

  12. Predicting Experimental Quantities in Protein Folding Kinetics using Stochastic Roadmap Simulation

    E-Print Network [OSTI]

    Latombe, Jean-Claude

    Predicting Experimental Quantities in Protein Folding Kinetics using Stochastic Roadmap Simulation the transition state ensemble (TSE) and predict the rates and -values for protein folding. The new method as a gen- eral tool for studying protein folding kinetics. 1 Introduction Protein folding is a crucial

  13. Propagation in a kinetic reaction-transport equation: travelling waves and accelerating fronts

    E-Print Network [OSTI]

    Calvez, Vincent

    describes particles moving according to a velocity-jump process, and proliferating thanks to a reaction termPropagation in a kinetic reaction-transport equation: travelling waves and accelerating fronts the existence and stability of travelling wave solutions of a kinetic reaction- transport equation. The model

  14. Front propagation in a kinetic reaction-transport equation Emeric Bouin

    E-Print Network [OSTI]

    Boyer, Edmond

    according to a velocity-jump process, and proliferating thanks to a reaction term of monostable typeFront propagation in a kinetic reaction-transport equation Emeric Bouin , Vincent Calvez wave solutions of a kinetic reaction- transport equation. The model describes particles moving

  15. Kinetic Vlasov Simulations of collisionless magnetic Reconnection H. Schmitz and R. Grauer

    E-Print Network [OSTI]

    Grauer, Rainer

    Theoretische Physik I, Ruhr-Universit¨at, 44780 Bochum, Germany A fully kinetic Vlasov simulation which allows magnetized plasmas to convert the energy stored in the field lines into kinetic energy it allows par- ticles from the solar wind to enter the magnetosphere. Also it is believed to be the main

  16. An Energy Localization Principle and its Application to Fast Kinetic Monte Carlo Simulation of Heteroepitaxial

    E-Print Network [OSTI]

    Schulze, Tim

    An Energy Localization Principle and its Application to Fast Kinetic Monte Carlo Simulation of Michigan, Ann Arbor, MI 48109-1109 Abstract Simulation of heteroepitaxial growth using kinetic Monte Carlo (KMC) is often based on rates determined by differences in elastic energy between two configurations

  17. Kinetic Monte Carlo simulations of the response of carbon nanotubes to electron irradiation

    E-Print Network [OSTI]

    Krasheninnikov, Arkady V.

    Kinetic Monte Carlo simulations of the response of carbon nanotubes to electron irradiation J of Technology, Finland (Dated: January 12, 2007) Irradiation is increasingly used nowadays to tailor of nanotubes to irradiation is still lacking, we have implemented the kinetic Monte Carlo method with Bortz

  18. Kinetic fractionation of carbon and oxygen isotopes during hydration of carbon dioxide

    E-Print Network [OSTI]

    Zeebe, Richard E.

    Kinetic fractionation of carbon and oxygen isotopes during hydration of carbon dioxide Richard E the inorganic hydration of carbon dioxide (CO2) in aqueous solution cause reduced stable carbon and oxygen of the carbon and oxygen kinetic isotope fractionation (KIF) during hydration of CO2. Here I use transition

  19. Effect of driving frequency on excitation of turbulence in a kinetic plasma T. N. Parashar,1

    E-Print Network [OSTI]

    Shay, Michael

    Heating of solar corona and heating of solar wind (e.g., Refs. 1 and 2) are two long standing questions to transport energy to the small scales where it is dissipated through kinetic processes. The details of which include self-consistent kinetic dissipation at ion scales. Building on previous hybrid simulation studies

  20. Fibrous illite in oilfield sandstones a nucleation kinetic theory of growth

    E-Print Network [OSTI]

    Haszeldine, Stuart

    Fibrous illite in oilfield sandstones ­ a nucleation kinetic theory of growth Mark Wilkinson* and R), but modelling of sandstone-like systems shows that reaction kinetics are very rapid, and not rate-limiting (Berger et al., 1997). Any model for illite growth in sandstones should offer explanations

  1. Comparisons of metal accumulation and excretion kinetics in earthworms (Eisenia fetida) exposed to contaminated

    E-Print Network [OSTI]

    Hopkin, Steve

    Comparisons of metal accumulation and excretion kinetics in earthworms (Eisenia fetida) exposed to contaminated ®eld and laboratory soils D.J. Spurgeona,* , S.P. Hopkinb a Institute of Terrestrial Ecology in revised form 18 July 1998; accepted 21 August 1998 Abstract The uptake and excretion kinetics of cadmium

  2. Transformation of ferrihydrite to hematite: an in situ investigation on the kinetics and mechanisms

    E-Print Network [OSTI]

    Benning, Liane G.

    Transformation of ferrihydrite to hematite: an in situ investigation on the kinetics and mechanisms, UK ABSTRACT The kinetics and mechanisms of the transformation of 2-line ferrihydrite (FH) to hematite and goethite, GT) are ubiquitous and environmentally significant in many terrestrial and marine environments

  3. Kinetic study of the collisional quenching of spinorbitally excited atomic chlorine, Cl(2

    E-Print Network [OSTI]

    Kono, Mitsu

    Kinetic study of the collisional quenching of spin­orbitally excited atomic chlorine, Cl(2 P1 Solar-Terrestrial Environment Laboratory and Graduate School of Science, Nagoya University, 3 interactions, there have been a number of studies on the kinetics of physical and chemical relaxation processes

  4. Kinetics of metal-arsenate precipitate formation at the goethite-water interface

    E-Print Network [OSTI]

    Sparks, Donald L.

    GEOC 25 Kinetics of metal-arsenate precipitate formation at the goethite-water interface Markus-term sorption kinetics of 0.25mM Zn (II) and As (V) were investigated in pH 7 suspensions of 10, 100, and 1000 of Metals in Terrestrial and Aquatic Systems Division of Geochemistry The 227th ACS National Meeting

  5. Ammonia oxidation kinetics determine niche separation of nitrifying Archaea and Bacteria

    E-Print Network [OSTI]

    de la Torre, José R.

    LETTERS Ammonia oxidation kinetics determine niche separation of nitrifying Archaea and Bacteria and the widespread distribution of these organisms in marine and terrestrial environments indicated an important role or their contribution to nitrification8 . Here we report oligotrophic ammonia oxidation kinetics and cellular

  6. Q-branch Raman scattering and modern kinetic thoery

    SciTech Connect (OSTI)

    Monchick, L. [The Johns Hopkins Univ., Laurel, MD (United States)

    1993-12-01

    The program is an extension of previous APL work whose general aim was to calculate line shapes of nearly resonant isolated line transitions with solutions of a popular quantum kinetic equation-the Waldmann-Snider equation-using well known advanced solution techniques developed for the classical Boltzmann equation. The advanced techniques explored have been a BGK type approximation, which is termed the Generalized Hess Method (GHM), and conversion of the collision operator to a block diagonal matrix of symmetric collision kernels which then can be approximated by discrete ordinate methods. The latter method, which is termed the Collision Kernel method (CC), is capable of the highest accuracy and has been used quite successfully for Q-branch Raman scattering. The GHM method, not quite as accurate, is applicable over a wider range of pressures and has proven quite useful.

  7. The kinetic Sunyaev-Zeldovich effect in modified gravity

    E-Print Network [OSTI]

    Bianchini, Federico

    2015-01-01

    We investigate the impact of modified theories of gravity on the kinetic Sunyaev-Zeldovich (kSZ) effect of the cosmic microwave background. We focus on a specific class of $f(R)$ models of gravity and compare their predictions for the kSZ power spectrum to that of the $\\Lambda$CDM model. We use a publicly available modified version of Halofit to properly include the nonlinear matter power spectrum of $f(R)$ in the modeling of the kSZ signal. We find that the well known modifications of the growth rate of structure in $f(R)$ can indeed induce sizable changes in the kSZ signal, which are more significant than the changes induced by modifications of the expansion history. We discuss prospects of using the kSZ signal as a complementary probe of modified gravity, giving an overview of assumptions and possible caveats in the modeling.

  8. Sustainability of Transient Kinetic Regimes and Origins of Death

    E-Print Network [OSTI]

    Zubarev, Dmitry Yu

    2015-01-01

    It is generally recognized that a distinguishing feature of life is its peculiar capability to avoid equilibration. The origin of this capability and its evolution along the timeline of abiogenesis is not yet understood. We propose to study an analog of this phenomenon that could emerge in non-biological systems. To this end, we introduce the concept of sustainability of transient kinetic regimes. This concept is illustrated via investigation of cooperative effects in an extended system of compartmentalized chemical oscillators under batch conditions. The computational study of a model system shows robust enhancement of lifetimes of the decaying oscillations which translates into the evolution of the survival function of the non-equilibrium regime. This model does not rely on any form of replication. Rather, it explores the role of a structured effective environment as a contributor to the system-bath interactions that define non- equilibrium regimes. We implicate the noise produced by the effective environme...

  9. Combined Ideal and Kinetic Effects on Reversed Shear Alfven Eigenmodes

    SciTech Connect (OSTI)

    N.N. Gorelenkov, G.J. Kramer, and R. Nazikian

    2011-05-23

    A theory of Reversed Shear Alfven Eigenmodes (RSAEs) is developed for reversed magnetic field shear plasmas when the safety factor minimum, qmin, is at or above a rational value. The modes we study are known sometimes as either the bottom of the frequency sweep or the down sweeping RSAEs. We show that the ideal MHD theory is not compatible with the eigenmode solution in the reversed shear plasma with qmin above integer values. Corrected by special analytic FLR condition MHD dispersion of these modes nevertheless can be developed. Large radial scale part of the analytic RSAE solution can be obtained from ideal MHD and expressed in terms of the Legendre functions. The kinetic equation with FLR effects for the eigenmode is solved numerically and agrees with the analytic solutions. Properties of RSAEs and their potential implications for plasma diagnostics are discussed.

  10. 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.

  11. High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes

    SciTech Connect (OSTI)

    Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M

    2011-03-01

    Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed high temperature chemical kinetic mechanism for n-octane and three lightly branched isomers octane (i.e., 2-methylheptane, 3-methylheptane, and 2,5-dimethylhexane). The model is validated against experimental data from a variety of fundamental combustion devices. This new model is used to show how the location and number of methyl branches affects fuel reactivity including laminar flame speed and species formation.

  12. Desorption and sublimation kinetics for fluorinated aluminum nitride surfaces

    SciTech Connect (OSTI)

    King, Sean W., E-mail: sean.king@intel.com; Davis, Robert F. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Nemanich, Robert J. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2014-09-01

    The adsorption and desorption of halogen and other gaseous species from surfaces is a key fundamental process for both wet chemical and dry plasma etch and clean processes utilized in nanoelectronic fabrication processes. Therefore, to increase the fundamental understanding of these processes with regard to aluminum nitride (AlN) surfaces, temperature programmed desorption (TPD) and x-ray photoelectron spectroscopy (XPS) have been utilized to investigate the desorption kinetics of water (H{sub 2}O), fluorine (F{sub 2}), hydrogen (H{sub 2}), hydrogen fluoride (HF), and other related species from aluminum nitride thin film surfaces treated with an aqueous solution of buffered hydrogen fluoride (BHF) diluted in methanol (CH{sub 3}OH). Pre-TPD XPS measurements of the CH{sub 3}OH:BHF treated AlN surfaces showed the presence of a variety of Al-F, N-F, Al-O, Al-OH, C-H, and C-O surfaces species in addition to Al-N bonding from the AlN thin film. The primary species observed desorbing from these same surfaces during TPD measurements included H{sub 2}, H{sub 2}O, HF, F{sub 2}, and CH{sub 3}OH with some evidence for nitrogen (N{sub 2}) and ammonia (NH{sub 3}) desorption as well. For H{sub 2}O, two desorption peaks with second order kinetics were observed at 195 and 460?°C with activation energies (E{sub d}) of 51?±?3 and 87?±?5?kJ/mol, respectively. Desorption of HF similarly exhibited second order kinetics with a peak temperature of 475?°C and E{sub d} of 110?±?5?kJ/mol. The TPD spectra for F{sub 2} exhibited two peaks at 485 and 585?°C with second order kinetics and E{sub d} of 62?±?3 and 270?±?10?kJ/mol, respectively. These values are in excellent agreement with previous E{sub d} measurements for desorption of H{sub 2}O from SiO{sub 2} and AlF{sub x} from AlN surfaces, respectively. The F{sub 2} desorption is therefore attributed to fragmentation of AlF{sub x} species in the mass spectrometer ionizer. H{sub 2} desorption exhibited an additional high temperature peak at 910?°C with E{sub d}?=?370?±?10?kJ/mol that is consistent with both the dehydrogenation of surface AlOH species and H{sub 2} assisted sublimation of AlN. Similarly, N{sub 2} exhibited a similar higher temperature desorption peak with E{sub d}?=?535?±?40?kJ/mol that is consistent with the activation energy for direct sublimation of AlN.

  13. Mesoscale Equipartition of kinetic energy in Quantum Turbulence

    E-Print Network [OSTI]

    Salort, Julien; Lévêque, Emmanuel; 10.1209/0295-5075/94/24001

    2012-01-01

    The turbulence of superfluid helium is investigated numerically at finite temperature. Direct numerical simulations are performed with a "truncated HVBK" model, which combines the continuous description of the Hall-Vinen-Bekeravich-Khalatnikov equations with the additional constraint that this continuous description cannot extend beyond a quantum length scale associated with the mean spacing between individual superfluid vortices. A good agreement is found with experimental measurements of the vortex density. Besides, by varying the turbulence intensity only, it is observed that the inter-vortex spacing varies with the Reynolds number as $Re^{-3/4}$, like the viscous length scale in classical turbulence. In the high temperature limit, Kolmogorov's inertial cascade is recovered, as expected from previous numerical and experimental studies. As the temperature decreases, the inertial cascade remains present at large scales while, at small scales, the system evolves towards a statistical equipartition of kinetic ...

  14. Chemical Dynamics, Molecular Energetics, and Kinetics at the Synchrotron

    SciTech Connect (OSTI)

    Leone, Stephen R.; Ahmed, Musahid; Wilson, Kevin R.

    2010-03-14

    Scientists at the Chemical Dynamics Beamline of the Advanced Light Source in Berkeley are continuously reinventing synchrotron investigations of physical chemistry and chemical physics with vacuum ultraviolet light. One of the unique aspects of a synchrotron for chemical physics research is the widely tunable vacuum ultraviolet light that permits threshold ionization of large molecules with minimal fragmentation. This provides novel opportunities to assess molecular energetics and reaction mechanisms, even beyond simple gas phase molecules. In this perspective, significant new directions utilizing the capabilities at the Chemical Dynamics Beamline are presented, along with an outlook for future synchrotron and free electron laser science in chemical dynamics. Among the established and emerging fields of investigations are cluster and biological molecule spectroscopy and structure, combustion flame chemistry mechanisms, radical kinetics and product isomer dynamics, aerosol heterogeneous chemistry, planetary and interstellar chemistry, and secondary neutral ion-beam desorption imaging of biological matter and materials chemistry.

  15. Energy dissipation in magnetic null points at kinetic scales

    E-Print Network [OSTI]

    Olshevsky, Vyacheslav; Eriksson, Elin; Markidis, Stefano; Lapenta, Giovanni

    2015-01-01

    We use kinetic particle-in-cell and magnetohydrodynamic simulations supported by an observational dataset to investigate magnetic reconnection in clusters of null points in space plasma. The magnetic configuration under investigation is driven by fast adiabatic flux rope compression that dissipates almost half of the initial magnetic field energy. In this phase powerful currents are excited producing secondary instabilities, and the system is brought into a state of `intermittent turbulence' within a few ion gyro-periods. Reconnection events are distributed all over the simulation domain and energy dissipation is rather volume-filling. Numerous spiral null points interconnected via their spines form null lines embedded into magnetic flux ropes; null point pairs demonstrate the signatures of torsional spine reconnection. However, energy dissipation mainly happens in the shear layers formed by adjacent flux ropes with oppositely directed currents. In these regions radial null pairs are spontaneously emerging an...

  16. Temperature estimates from zircaloy oxidation kinetics and microstructures. [PWR

    SciTech Connect (OSTI)

    Olsen, C.S.

    1982-10-01

    This report reviews state-of-the-art capability to determine peak zircaloy fuel rod cladding temperatures following an abnormal temperature excursion in a nuclear reactor, based on postirradiation metallographic analysis of zircaloy microstructural and oxidation characteristics. Results of a comprehensive literature search are presented to evaluate the suitability of available zircaloy microstructural and oxidation data for estimating anticipated reactor fuel rod cladding temperatures. Additional oxidation experiments were conducted to evaluate low-temperature zircaloy oxidation characteristics for postirradiation estimation of cladding temperature by metallographic examination. Results of these experiments were used to calculate peak cladding temperatures of electrical heater rods and nuclear fuel rods that had been subjected to reactor temperature transients. Comparison of the calculated and measured peak cladding temperatures for these rods indicates that oxidation kinetics is a viable technique for estimating peak cladding temperatures over a broad temperature range. However, further improvement in zircaloy microstructure technology is necessary for precise estimation of peak cladding temperatures by microstructural examination.

  17. Kinetics of Fe(III)*EDTA reduction by ascorbic acid

    SciTech Connect (OSTI)

    Li, W.; Harkness, J.B.L.; Mendelsohn, M.H.

    1992-12-01

    The kinetics of the reduction of ferric chelate by ascorbic acid have been determined at a typical flue-gas scrubber-system operating temperature ({approximately}55{degrees}C). The ascorbic acid reaction has the same reduction rate expression as the reduction by bisulfite ions, namely, first order with respect to the concentrations of both Fe(III)*EDTA and monoionic species of ascorbic acid. The reaction rate isnegative first order with respect to Fe(II)*EDTA concentration. In the pH range of 6--8, reduction of the hydrolyzed form of the metal chelate compound was negligible. The rate constant for the ascorbic acid reduction reaction is almost 400 times larger than that for the bisulfite reduction reaction under the same reaction conditions. There was no contribution associated with the nonionized form of ascorbic acid.

  18. Kinetics of Fe(III)*EDTA reduction by ascorbic acid

    SciTech Connect (OSTI)

    Li, W.; Harkness, J.B.L.; Mendelsohn, M.H.

    1992-01-01

    The kinetics of the reduction of ferric chelate by ascorbic acid have been determined at a typical flue-gas scrubber-system operating temperature ([approximately]55[degrees]C). The ascorbic acid reaction has the same reduction rate expression as the reduction by bisulfite ions, namely, first order with respect to the concentrations of both Fe(III)*EDTA and monoionic species of ascorbic acid. The reaction rate isnegative first order with respect to Fe(II)*EDTA concentration. In the pH range of 6--8, reduction of the hydrolyzed form of the metal chelate compound was negligible. The rate constant for the ascorbic acid reduction reaction is almost 400 times larger than that for the bisulfite reduction reaction under the same reaction conditions. There was no contribution associated with the nonionized form of ascorbic acid.

  19. Diffusion Controlled Reactions, Fluctuation Dominated Kinetics, and Living Cell Biochemistry

    E-Print Network [OSTI]

    Konkoli, Zoran

    2009-01-01

    In recent years considerable portion of the computer science community has focused its attention on understanding living cell biochemistry and efforts to understand such complication reaction environment have spread over wide front, ranging from systems biology approaches, through network analysis (motif identification) towards developing language and simulators for low level biochemical processes. Apart from simulation work, much of the efforts are directed to using mean field equations (equivalent to the equations of classical chemical kinetics) to address various problems (stability, robustness, sensitivity analysis, etc.). Rarely is the use of mean field equations questioned. This review will provide a brief overview of the situations when mean field equations fail and should not be used. These equations can be derived from the theory of diffusion controlled reactions, and emerge when assumption of perfect mixing is used.

  20. Strain in the mesoscale kinetic Monte Carlo model for sintering

    E-Print Network [OSTI]

    Bjørk, R; Tikare, V; Olevsky, E; Pryds, N

    2014-01-01

    Shrinkage strains measured from microstructural simulations using the mesoscale kinetic Monte Carlo (kMC) model for solid state sintering are discussed. This model represents the microstructure using digitized discrete sites that are either grain or pore sites. The algorithm used to simulate densification by vacancy annihilation removes an isolated pore site at a grain boundary and collapses a column of sites extending from the vacancy to the surface of sintering compact, through the center of mass of the nearest grain. Using this algorithm, the existing published kMC models are shown to produce anisotropic strains for homogeneous powder compacts with aspect ratios different from unity. It is shown that the line direction biases shrinkage strains in proportion the compact dimension aspect ratios. A new algorithm that corrects this bias in strains is proposed; the direction for collapsing the column is determined by choosing a random sample face and subsequently a random point on that face as the end point for...

  1. Driven diffusive systems with mutually interactive Langmuir kinetics

    E-Print Network [OSTI]

    H. D. Vuijk; R. Rens; M. Vahabi; F. C. MacKintosh; A. Sharma

    2015-01-06

    We investigate the simple one-dimensional driven model, the totally asymmetric exclusion process, coupled to mutually interactive Langmuir kinetics. This model is motivated by recent studies on clustering of motor proteins on microtubules. In the proposed model, the attachment and detachment rates of a particle are modified depending upon the occupancy of neighbouring sites. We first obtain continuum mean-field equations and in certain limiting cases obtain analytic solutions. We show how mutual interactions increase (decrease) the effects of boundaries on the phase behavior of the model. We perform Monte Carlo simulations and demonstrate that our analytical approximations are in good agreement with the numerics over a wide range of model parameters. We present phase diagrams over a selective range of parameters.

  2. An Experimental and Kinetic Modeling Study of Methyl Decanoate Combustion

    SciTech Connect (OSTI)

    Sarathy, S M; Thomson, M J; Pitz, W J; Lu, T

    2010-02-19

    Biodiesel is typically a mixture of long chain fatty acid methyl esters for use in compression ignition engines. Improving biofuel engine performance requires understanding its fundamental combustion properties and the pathways of combustion. This research study presents new combustion data for methyl decanoate in an opposed-flow diffusion flame. An improved detailed chemical kinetic model for methyl decanoate combustion is developed, which serves as the basis for deriving a skeletal mechanism via the direct relation graph method. The novel skeletal mechanism consists of 648 species and 2998 reactions. This mechanism well predicts the methyl decanoate opposed-flow diffusion flame data. The results from the flame simulations indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which lead to the production of alkenes. The ester moiety in methyl decanoate leads to the formation of low molecular weight oxygenated compounds such as carbon monoxide, formaldehyde, and ketene.

  3. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

    Pitz, W J; Westbook, C K; Mehl, M

    2008-10-30

    Hydrocarbon fuels for advanced combustion engines consist of complex mixtures of hundreds or even thousands of different components. These components can be grouped into a number of chemically distinct classes, consisting of n-paraffins, branched paraffins, cyclic paraffins, olefins, oxygenates, and aromatics. Biodiesel contains its own unique chemical class called methyl esters. The fractional amounts of these chemical classes are quite different in gasoline, diesel fuel, oil-sand derived fuels and bio-derived fuels, which contributes to the very different combustion characteristics of each of these types of combustion systems. The objectives of this project are: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.

  4. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOE Patents [OSTI]

    Reilly, Peter T.A.

    2013-12-03

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  5. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOE Patents [OSTI]

    Reilly, Peter T. A. [Knoxville, TN

    2010-12-14

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  6. Utilization of rotor kinetic energy storage for hybrid vehicles

    DOE Patents [OSTI]

    Hsu, John S. (Oak Ridge, TN)

    2011-05-03

    A power system for a motor vehicle having an internal combustion engine, the power system comprises an electric machine (12) further comprising a first excitation source (47), a permanent magnet rotor (28) and a magnetic coupling rotor (26) spaced from the permanent magnet rotor and at least one second excitation source (43), the magnetic coupling rotor (26) also including a flywheel having an inertial mass to store kinetic energy during an initial acceleration to an operating speed; and wherein the first excitation source is electrically connected to the second excitation source for power cycling such that the flywheel rotor (26) exerts torque on the permanent magnet rotor (28) to assist braking and acceleration of the permanent magnet rotor (28) and consequently, the vehicle. An axial gap machine and a radial gap machine are disclosed and methods of the invention are also disclosed.

  7. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOE Patents [OSTI]

    Reilly, Peter T.A.

    2014-05-13

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  8. Derivadas en variedades Luis Guijarro

    E-Print Network [OSTI]

    Guijarro, Luis

    Derivadas en variedades Luis Guijarro UAM 19 de mayo de 2010 Luis Guijarro ( UAM) Derivadas en coordenadas de c. Luis Guijarro ( UAM) Derivadas en variedades 19 de mayo de 2010 2 / 68 #12;Vectores funci´on diferenciable. La derivada direccional de f a lo largo de c en p es (f c) (0). C

  9. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2015-03-13

    To probe both the Hydrodynamic Non-Equilibrium (HNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion process, a two-dimensional Multiple-Relaxation-Time (MRT) version of Lattice Boltzmann Kinetic Model(LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. Beside describing the evolutions of the conserved quantities, the density, momentum and energy, which are what the Navier-Stokes model describes, the MRT-LBKM presents also a coarse-grained description on the evolutions of some non-conserved quantities. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in each simulation step. The model is verified and validated via well-known benchmark tests. As an initial application, various non-equilibrium behaviours, including the complex interplays between various HNEs, between various TNEs and between the HNE and TNE, around the detonation wave in the unsteady and steady one-dimensional detonation processes are preliminarily probed. It is found that the system viscosity (or heat conductivity) decreases the local TNE, but increase the global TNE around the detonation wave, that even locally, the system viscosity (or heat conductivity) results in two kinds of competing trends, to increase and to decrease the TNE effects. The physical reason is that the viscosity (or heat conductivity) takes part in both the thermodynamic and hydrodynamic responses.

  10. A new water anomaly: the temperature dependence of the proton mean kinetic energy

    E-Print Network [OSTI]

    Davide Flammini; Fabio Bruni; Maria Antonietta Ricci

    2009-01-28

    The mean kinetic energy of protons in water is determined by Deep Inelastic Neutron Scattering experiments, performed above and below the temperature of maximum density and in the supercooled phase. The temperature dependence of this energy shows an anomalous behavior, as it occurs for many water properties. In particular two regions of maximum kinetic energy are identified: the first one, in the supercooled phase in the range 269 K - 272 K, and a second one above 273 K. In both these regions the measured proton kinetic energy exceedes the theoretical prediction based on a semi-classical model. Noteworthy, the proton mean kinetic energy has a maximum at 277 K, the temperature of the maximum density of water. In the supercooled metastable phase the measured mean kinetic energy and the proton momentum distribution clearly indicate proton delocalization between two H-bonded oxygens.

  11. Experimentos en columnaExperimentos en columna con aporte de materialcon aporte de material

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    ;Algunos problemas #12;- Estabilidad en las medidas con algunos electrodos (Eh) - Perdida de líquido en la

  12. Remediation of chromium(VI) in the vadose zone: stoichiometry and kinetics of chromium(VI) reduction by sulfur dioxide 

    E-Print Network [OSTI]

    Ahn, Min

    2004-11-15

    and kinetics of chromium reduction both in aqueous solutions at pH values near neutrality and in soil. First, batch experiments and elemental analyses were conducted to characterize the stoichiometry and kinetics of Cr(VI) reduction in water...

  13. Faculteit Geowetenschappen Dating en matching in

    E-Print Network [OSTI]

    Utrecht, Universiteit

    gebeurde, wat er in de kustgebieden en midden op de continenten plaatsvond en wat er bij de polen en op de

  14. CHEMKIN-III: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics

    SciTech Connect (OSTI)

    Kee, R.J.; Rupley, F.M.; Meeks, E.; Miller, J.A.

    1996-05-01

    This document is the user`s manual for the third-generation CHEMKIN package. CHEMKIN is a software package whose purpose is to facilitate the formation, solution, and interpretation of problems involving elementary gas-phase chemical kinetics. It provides a flexible and powerful tool for incorporating complex chemical kinetics into simulations of fluid dynamics. The package consists of two major software components: an Interpreter and a Gas-Phase Subroutine Library. The Interpreter is a program that reads a symbolic description of an elementary, user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Gas-Phase Subroutine Library. This library is a collection of about 100 highly modular FORTRAN subroutines that may be called to return information on equations of state, thermodynamic properties, and chemical production rates. CHEMKIN-III includes capabilities for treating multi-fluid plasma systems, that are not in thermal equilibrium. These new capabilities allow researchers to describe chemistry systems that are characterized by more than one temperature, in which reactions may depend on temperatures associated with different species; i.e. reactions may be driven by collisions with electrons, ions, or charge-neutral species. These new features have been implemented in such a way as to require little or no changes to CHEMKIN implementation for systems in thermal equilibrium, where all species share the same gas temperature. CHEMKIN-III now has the capability to handle weakly ionized plasma chemistry, especially for application related to advanced semiconductor processing.

  15. The Effect of the Accuracy of Toroidal Field Measurements on Spatial Consistency of Kinetic Profiles at JET

    E-Print Network [OSTI]

    The Effect of the Accuracy of Toroidal Field Measurements on Spatial Consistency of Kinetic Profiles at JET

  16. A Comparison of HCCI Engine Performance Data and Kinetic Modeling Results over a Wide Rangeof Gasoline Range Surrogate Fuel Blends

    Broader source: Energy.gov [DOE]

    Kinetic models of fuels are needed to allow the simulation of engine performance for research, design, or verification purposes.

  17. Advances in Fully-Kinetic PIC Simulations of a Near-Vacuum Hall Thruster and Other Plasma Systems

    E-Print Network [OSTI]

    Advances in Fully-Kinetic PIC Simulations of a Near- Vacuum Hall Thruster and Other Plasma Systems;3 Advances in Fully-Kinetic PIC Simulations of a Near- Vacuum Hall Thruster and Other Plasma Systems generation of simulations used the fully-kinetic particle-in-cell (PIC) model. Although much more

  18. Energy-Efficient Routing Schemes for Wireless Sensor Networks

    E-Print Network [OSTI]

    Khan, Maleq

    -configuration. Data-centric routing is a new use- ful paradigm for energy-constrained sensor networks. The data coming config- urations and data-centric routing schemes to minimize en- ergy consumption for both random processes, Opti- mization, Sensor networks, Data-centric routing. I. INTRODUCTION AND OVERVIEW Advances

  19. ECOSystem: Managing Energy as a First Class Operating System Resource

    E-Print Network [OSTI]

    Vahdat, Amin

    ECOSystem: Managing Energy as a First Class Operating System Resource £ Heng Zeng, Carla S. Ellis design. This paper explores how to support energy as a first-class operating system resource. En- ergy the limited energy resource among competing tasks. 1. INTRODUCTION Traditionally, the operating system plays

  20. Microsoft Word - ESI Early Evaluation Report_20090618.doc

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

    503.228.2992 Prepared for: Bonneville Power Administration June 18, 2010 BPA EnErgy SmArt InduStrIAl ProgrAm: EArly EvAluAtIon rEPort Prepared by: The Cadmus Group, Inc. BPA...

  1. Multiscale modeling of the brittle to ductile transition S.J. Noronha, J. Huang, N.M. Ghoniem *

    E-Print Network [OSTI]

    Ghoniem, Nasr M.

    zone is represented as an array of discrete dislocations emitted from crack-tip sources. In their model they equated the competing forces acting on a dislocation near the crack-tip, and derived material parameters, the surface en- ergy (c) and the unstable stacking fault energy (cus) [2

  2. DOI: 10.1002/adma.200602918 Nanopiezotronics**

    E-Print Network [OSTI]

    Wang, Zhong L.

    , nanoscale energy conversion for self-powered nanosystems, and harvesting/recycling of en- ergy from, Rochelle salt, lead zirco- nate titanate ceramics, barium titanate, and polyvinylidene flouride (a polymer electronics, sensing, harvesting/ recycling energy from the environment, and self-powered nanosystems

  3. Secondary neutrons in clinical proton radiotherapy: A charged issue

    E-Print Network [OSTI]

    Brenner, David Jonathan

    . However, the clinical significance of this whole-body low-dose neutron exposure has remained controversial on passive scattering. In this light, and in light of the signif- icant carcinogenicity of low-dose neutron high-en- ergy neutron doses in a mixed radiation field, and it is still harder to make neutron me

  4. Using Circuit-Level Power Measurements in Household Energy Management Systems

    E-Print Network [OSTI]

    Han, Qi "Chee"

    to accurately measure en- ergy usage in the home. Measuring energy usage is not dif- ficult, however we must- formation for large appliances. However, the only way to monitor the energy usage of smaller devices. This paper explores an alternative, more practi- cal, approach to monitor household energy usage including

  5. VISUAL EXPLORATION OF SATELLITE IMAGES Jurgen Symanzik , Louise Gri ths, Robert R. Gillies, Utah State University.

    E-Print Network [OSTI]

    Symanzik, Jürgen

    of the seasonal en- ergy uxes in urban areas. Researchers involved in the National Aeronautic and Space to urban structures on the local and re- gional climate, surface energy uxes, and air quality Radiant Temperature, Urban Heat Island, Vi- sual Data Mining. Abstract In this paper, we focus on visual

  6. RAPID ACQUISITION OF ULTRA-WIDEBAND SIGNALS IN THE DENSE MULTIPATH CHANNEL

    E-Print Network [OSTI]

    Southern California, University of

    . These advantages make UWB communication systems well suited for urban and indoor wireless applications that the bit reversal search Eric Homier is with TRW Space & Electronics in Re- dondo Beach, California (homier - t 2 exp -1 2 t 2 (1) The energy in p(t) is unity so that the received en- ergy in Ep · p(t) is simply

  7. Infrared fluorescence and optical gain characteristics of chalcogenide-bound erbium cluster-fluoropolymer nanocomposites

    E-Print Network [OSTI]

    Lawson, Catherine L.

    properties of plastic optical fibers containing these lanthanide complexes14 fail to exhibit promising of their attractive luminescent properties. To effect high emission, traditional low phonon vibrational en- ergy mechanical properties, require expensive processing methods, and exhibit low chemical and thermal stability

  8. Energy Decay in Superconducting Josephson-Junction Qubits from Nonequilibrium Quasiparticle Excitations

    E-Print Network [OSTI]

    Martinis, John M.

    engineered gap and trap structures, which reduce the density of quasiparticles, should be redesigned on tunneling of nonequilibrium quasiparticles, we next calculate their density versus en- ergy from standard electron-phonon rates, showing the injection energy is unimportant. Third, we estimate quasi- particle

  9. An Empirical Evaluation of the MC/DC Coverage Criterion on the HETE2 Satellite Software \\Lambda

    E-Print Network [OSTI]

    Leveson, Nancy

    , airborne software must comply with the DO­178B standard. For the unit testing of safety­critical software to the safety of the software and does not find errors that are not detected by functional testing the testing of the attitude control software for the HETE­2 (High En­ ergy Transient Explorer) scientific

  10. Managing Variable Energy Resources to Increase Renewable Electricity's

    E-Print Network [OSTI]

    Managing Variable Energy Resources to Increase Renewable Electricity's Contribution to the Grid P o Contribution of Renewable Energy to Total Electricity Generation? 15 ManaGInG VaRIablE EnERGy REsouRCEs 16 What to Better Respond to Variability? 19 How Can the Siting of Renewable Energy Projects Be Improved? 20 What

  11. `eseia is a dedicated and committed international partnership of

    E-Print Network [OSTI]

    of the knowledge triangle spanning renewable energies all the way from resources to consumption.' Hans Sünkel ­ Funded project on renewable en ergy sources and increasing energy efficiency by visu alizing on `Regional Optimization of Renewable Energy Systems' within the Marie Curie Initial Training Network

  12. Loop punching and bubble rupture causing surface roughening -a model for W fuzz growth

    E-Print Network [OSTI]

    Nordlund, Kai

    intense plasma-wall interactions. On the other hand, helium (He) is produced through the fusion 43, FI-00014 University of Helsinki, Finland PACS 52.40.Hf ­ Plasma-material interactions PACS 28 TOKAMAK-like fusion reactor producing more en- ergy than it consumes [1]. Its success strongly depends

  13. Power-aware Provisioning of Cloud Resources for Real-time Services

    E-Print Network [OSTI]

    Buyya, Rajkumar

    in the systems. Datacenters consume 10 to 100 times more en- ergy per square foot than typical office buildings, Australia {abe, raj}@csse.unimelb.edu.au ABSTRACT Reducing energy consumption has been an essential tech their services without consideration of physical hardwares, while users also can access on-demand and pay-per

  14. Tuning Fuzzy Logic Controllers for Energy Efficiency Consumption in Buildings

    E-Print Network [OSTI]

    Casillas Barranquero, Jorge

    Tuning Fuzzy Logic Controllers for Energy Efficiency Consumption in Buildings R. Alcal´a DECSAI- tion in buildings represents about 40% of to- tal energy consumption and more than a half controllers, tuning techniques, multiobjective optimisation, en- ergy efficiency, buildings, BEMS, HVAC sys

  15. 26 May 2000 Z .Chemical Physics Letters 322 2000 412418

    E-Print Network [OSTI]

    -ray absorption fine structure NEXAFS spectra of hydro- genated and deuterated polystyrene. The differences ns1 transition. Since the en- ergy separation between vibrational modes is small on the energy scale in the core excitation of small molecules acquired by NEXAFS w xspectroscopy 5,6 and Electron Energy Loss Spec

  16. Leveraging Stored Energy for Handling Power Emergencies in Aggressively Provisioned Datacenters

    E-Print Network [OSTI]

    Chaudhuri, Surajit

    center, Peak power, Stored en- ergy, Provisioning, Cap-ex, Peak shaving 1. Introduction Datacenters incur capital expenditure (cap-ex) of $10-25 per watt of provisioned power capacity, regardless of whether to several million dollars in cap-ex [5], contributing over a third of the amortized monthly datacenter costs

  17. Leveraging Stored Energy for Handling Power Emergencies in Aggressively Provisioned Datacenters

    E-Print Network [OSTI]

    Giles, C. Lee

    center, Peak power, Stored en- ergy, Provisioning, Cap-ex, Peak shaving 1. Introduction Datacenters incur capital expenditure (cap-ex) of $10-25 per watt of provisioned power capacity, regardless of whether]. to several million dollars in cap-ex [5], contributing over a third of the amortized monthly datacenter costs

  18. Aalborg Universitet Analysis and simulation of electromagnetic transients in HVAC cable transmission

    E-Print Network [OSTI]

    Silva, Filipe Faria Da

    in Electrical Engineering. The research was conducted at the Department of Energy Technology for Energinet by Associated Professor Claus Leth Bak (Department of En- ergy Technology) and by Dr. Wojciech Wiechowski plus references and fifteen appendices. A list of all authored and co-authored publications written

  19. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 0099-2240/98/$04.00 0

    E-Print Network [OSTI]

    Chu, Kung-Hui "Bella"

    in this study. All cultures were able to grow with each of three different nitrogen sources: ammonia, nitrate-fixing mixed, M. trichosporium OB3b, and CAC-2 cultures than in nitrate- or ammonia-supplied cells. TCE) is an internal reducing-en- ergy storage polymer that can be used as an alternative reduc- ing-energy source

  20. Physics of the Earth and Planeta,y Interiors, 81(1993) 289--314 289 Elsevier Science Publishers By., Amsterdam

    E-Print Network [OSTI]

    Jones, Alan G.

    1993-01-01

    to montmorillonite-dominated clay alteration minerals which form the cap rock of the geothermal reservoir. Below conductive, thin, vertical channel, representative of a magma conduit from the deep source body to the near surface, cannot be excluded. 1. Introduction national programme (Federal Geothermal En- ergy Program

  1. ENERGY STRATEGY: THE ROAD NOT TAKEN?

    E-Print Network [OSTI]

    Kammen, Daniel M.

    ENERGY STRATEGY: THE ROAD NOT TAKEN? By Amory B. Lovins Two road5 diverged in a wood, and I-- I concepts in energy strategy by outlining and contrasting two en- ergy paths tbat the United States might. His latest books are World Energy Strategies: Facts, Issues, and Options and (with Dr. J. H. Price

  2. Properties of a future susy universe L. Clavelli

    E-Print Network [OSTI]

    Clavelli, Louis J.

    . The inflationary era in the very early universe ended with such a transition to our current phase which in a phase of large vacuum en- ergy density resulting in a rapid expansion. In the very early instants the universe underwent a transition to the current phase characterized by a vacuum energy density = (0.0023 e

  3. Ab Initio Insights on the Shapes of Platinum Nanocatalysts

    E-Print Network [OSTI]

    Curtarolo, Stefano

    © 2011 American Chemical Society ABSTRACT Catalytic, chemical, optical, and electronic properties Carolina 27708, United States C atalysis plays a fundamental role in many fields of chemical and en- ergy of chemical reactions (i.e., to increase and re- duce the amounts of desirable and undesir- able products

  4. On the Capacity of a Wireless Backhaul for the Distribution Level of the Smart Grid

    E-Print Network [OSTI]

    Namboodiri, Vinod

    1 On the Capacity of a Wireless Backhaul for the Distribution Level of the Smart Grid Babak Karimi limitations imposed by the proposed communication architecture. Index Terms--Smart Grids, Distribution Level of the Smart Grid approach. Title XIII of the En- ergy Independent and Security Act 2007 [1] requires improved

  5. Distributed Sustainable Generation Dispatch via Evolutionary Games

    E-Print Network [OSTI]

    Kundur, Deepa

    and solar panels are sustainable but unreliable as these have inherently variable generation capacities The power grid is composed of a diverse mix of energy generation systems designed to provision for all types such as wind and solar power generators are green en- ergy sources with lower levelized costs [4

  6. Neighborhood Watch: Security and Privacy Analysis of Automatic Meter Reading Systems

    E-Print Network [OSTI]

    Gruteser, Marco

    gruteser@winlab.rutgers.edu ABSTRACT Research on smart meters has shown that fine-grained en- ergy usage data poses privacy risks since it allows inferences about activities inside homes. While smart meter for remotely collecting us- age data from electricity, gas, and water meters. Yet to the best of our knowledge

  7. Neighborhood Watch: Security and Privacy Analysis of Automatic Meter Reading Systems

    E-Print Network [OSTI]

    Xu, Wenyuan

    gruteser@winlab.rutgers.edu ABSTRACT Research on smart meters has shown that fine-grained en- ergy usage data poses privacy risks since it allows inferences about activities inside the home. While smart meter for remotely collecting us- age data from electricity, gas, and water meters. Yet to the best of our knowledge

  8. Remote Management and Secure Application Development for Pervasive Home Systems Using JASON

    E-Print Network [OSTI]

    Hoepman, Jaap-Henk

    as burglar alarms. Surveillance cameras may monitor the doors. Electronic en- ergy meters, gas meters. Houses may be equipped with many mod- ern appliances, ranging from hi-fi sets, tv's, pc's, smart fridges and water meters record and report usage periodically and automatically without human inter- vention

  9. Oscar Wilkie BE in Photovoltaics

    E-Print Network [OSTI]

    New South Wales, University of

    Oscar Wilkie BE in Photovoltaics and solar EnErgy EnginEEring What dO PhOtOvOltaics engineers dO? Photovoltaics engineering focuses on the manufacture and use of photovoltaic solar cells to generate electricity with an increased need for specialised photovoltaics engineers and there are constantly new opportunities arising

  10. Sensor-Enhanced Mobility Prediction for Energy-Efficient Localization

    E-Print Network [OSTI]

    Huang, Polly

    the mobility estimation error problem by utilizing addi- tional sensors on mobile targets. The result of Electrical Engineeringc National Taiwan University {f91023, b89066, hchu}@csie.ntu.edu.tw, phuang accuracy by developing an en- ergy-aware localization that adapts the sampling rate to target's mobility

  11. Contrasting size evolution in marine and freshwater diatoms

    E-Print Network [OSTI]

    carbon cycle and most aquatic ecosystems. Their cell sizes impact carbon sequestration and en- ergy carbon cycle and the structure and functioning of aquatic ecosystems. evolutionarily stable strategy and forming the basis of many aquatic food webs (6). Diatom size distributions greatly influence carbon

  12. Minimum Energy Source Coding for Asymmetric Modulation with Application to RFID

    E-Print Network [OSTI]

    Roy, Sumit

    , Minimum En- ergy, Source Coding, Energy Harvesting, EPC Global. I. INTRODUCTION Energy constrained consumption and extend operation lifetime. Such energy effi- ciency may be obtained at multiple levels - from coding, but with a focus on energy consumption. For example, channel coding schemes Contact Author

  13. Towards Discovering Data Center Genome Using Sensor Nets Microsoft Research

    E-Print Network [OSTI]

    Amir, Yair

    Towards Discovering Data Center Genome Using Sensor Nets Jie Liu Microsoft Research One Microsoft en- ergy consumption. Improving data center energy efficiency is a pressing issue with significant data center cooling and energy con- sumption. However, typical data centers lack effective fine

  14. 40 IEEE TRANSACTIONS ON NANOTECHNOLOGY, VOL. 12, NO. 1, JANUARY 2013 Design and Architectural Assessment of 3-D

    E-Print Network [OSTI]

    De Micheli, Giovanni

    -based configuration point, a look-up ta- ble structure with reduced programming complexity and a high- performance version January 4, 2013. This work was supported in part by the French National Research Agency under was with Commissariat `a l'Energie Atomique et aux En- ergies Alternatives, 38054 Grenoble, France. He is now

  15. OPTIMAL CONTROL EXPERIMENTATION OF COMPRESSION TRAJECTORIES FOR A LIQUID PISTON AIR COMPRESSOR

    E-Print Network [OSTI]

    Li, Perry Y.

    compressor is the critical part of a Compressed Air En- ergy Storage (CAES) system. Efficient and fast Storage (CAES) system for offshore wind turbine that has recently been proposed in [1,2]. In the proposed CAES system, high pressure (20-30MPa) compressed air is stored in a dual chamber storage vessel

  16. Managing the Cost, Energy Consumption, and Carbon Footprint of Internet Services

    E-Print Network [OSTI]

    Bianchini, Ricardo

    or "green" energy. This paper introduces a general, optimization-based framework for enabling multi-data-center services to manage their brown en- ergy consumption and leverage green energy, while respecting their SLAs. "green" or renewable energy.) We argue that placing caps on the brown energy consumption of data centers

  17. Journal of Catalysis 241 (2006) 235242 www.elsevier.com/locate/jcat

    E-Print Network [OSTI]

    Kenis, Paul J. A.

    2006-01-01

    , using SiC as a catalyst support appears to increase the catalytic activity of the Ru catalyst microreactor; Silicon carbide; Hydrogen production; Ammonia decomposition; Fuel reforming 1. Introduction reforming of liquid hydrocarbons such as gasoline (en- ergy density of 9 kW-h/l), fuel cells can provide

  18. Runnemede: An Architecture for Ubiquitous High-Performance Computing Nicholas P. Carter1,4

    E-Print Network [OSTI]

    Torrellas, Josep

    units for runtime and application code are used to reduce en- ergy consumption. Memory energy of achieving energy efficiencies of 50 GOPS/Watt, assuming 2018-era fabrication technologies. This paper-chip memory, and illustrates the impact of hardware-software co-design on the energy consumption

  19. It's not simple which is why the University of Houston is facing the challenge head on.

    E-Print Network [OSTI]

    Glasser, Adrian

    -45, hosts the University's cutting edge energy research and academic programs. The energy crisis is our kind of crisis. UH ENERGY #12;UH.EdU/EnERgy Marathon Oil Schlumberger Technology Vinson & ElkinsIt's not simple ­ which is why the University of Houston is facing the challenge head on. UH Energy

  20. Proceedings of the 21st National & 10th

    E-Print Network [OSTI]

    Apte, Sourabh V.

    , energy, and overall conservation of mass equations is developed and verified against the full, three transfer model is developed to design the receiver shape. INTRODUCTION Solar energy is a promising clean pathways are followed in converting solar en- ergy to usable energy: (a) direct electrical power through

  1. Towards Perpetual Sensor Networks via Deploying Multiple Mobile Wireless Chargers

    E-Print Network [OSTI]

    Liang, Weifa

    algorithm for it, assuming that sensor energy consumption rates do not change over time. Otherwise, we been many energy saving approaches developed in the past decade to minimize sensor energy consumptions their surroundings such as solar energy, vibration energy, wind en- ergy, etc [11]. However, the temporally

  2. Energy Balance in Wireless Networks Using Connection Segmentation and Range Control

    E-Print Network [OSTI]

    Simha, Rahul

    Energy Balance in Wireless Networks Using Connection Segmentation and Range Control Nitin Kumar are optimized to balance energy consumption across the network. This paper formulates an en­ ergy balance­ nalized for their important role in network operation. While route selection to balance energy [13], [31

  3. Agricultural and Forest Meteorology 113 (2002) 223243 Energy balance closure at FLUXNET sites

    E-Print Network [OSTI]

    Goldstein, Allen

    2002-01-01

    Agricultural and Forest Meteorology 113 (2002) 223­243 Energy balance closure at FLUXNET sites Kell Abstract A comprehensive evaluation of energy balance closure is performed across 22 sites and 50 site ecosystems and climates. En- ergy balance closure was evaluated by statistical regression of turbulent energy

  4. mong the biggest chal-lenges the world faces

    E-Print Network [OSTI]

    Blevis, Eli

    EnErgy Consumption A Forrester Research report proj- ects the number of personal com- puters in use consumption by com- puters--including the power con- sumption and embodied energy of data centers, PCs stated goal is to reduce world energy use to 1990 levels, thereby stabilizing atmo- spheric CO2 emissions

  5. ANALYSIS OF THE PERFORMANCE AND COST EFFECTIVENESS OF NINE SMALL WIND ENERGY CONVERSION SYSTEMS FUNDED BY THE DOE SMALL GRANTS PROGRAM

    E-Print Network [OSTI]

    Kay, J.

    2009-01-01

    horizontal wind electric machines, and other Wind Pumpingmachine is an 8-10 KVA recently designed, bUilt, and mark- eted by Jacobs Wind Electricmachine delivers about 1095 Kwh of en- ergy during the six month farming period. Assuming an electric

  6. Iterated and irreducible pion-photon exchange in nuclei Physik Department T39, Technische Universitt Mnchen, D-85747 Garching, Germany

    E-Print Network [OSTI]

    Weise, Wolfram

    calculate the contribution to the nuclear energy density functional which arises from iterated pion analytical results for the corresponding contributions to the nuclear en- ergy -interaction. The corresponding energy per proton reads E¯ p = 2 /15 2 2 -3+6 ln 2 App kp 2 with p=kp 3 /3 2 the proton density

  7. Comparative Study of Power Factor Correction Converters For Single Phase Half-Bridge Inverters

    E-Print Network [OSTI]

    Tolbert, Leon M.

    of input current harmonic distortion and en- ergy efficiency. I. INTRODUCTION Uninterruptible power supplyComparative Study of Power Factor Correction Converters For Single Phase Half-Bridge Inverters Gui an isolation transformer, and sinu- soidal input currents if a power factor correction (PFC) con- verter

  8. IEEE TRANSACTIONS ON POWER ELECTRONICS, VOL. 14, NO. 1, JANUARY 1999 49 Simple Analytical and Graphical Methods for

    E-Print Network [OSTI]

    Hava, Ahmet

    IEEE TRANSACTIONS ON POWER ELECTRONICS, VOL. 14, NO. 1, JANUARY 1999 49 Simple Analytical VOLTAGE-SOURCE inverters (VSI's) are utilized in ac motor drive, utility interface, and uninterruptible power supply (UPS) applications as a means for dc ac electric en- ergy conversion. Shown in Fig. 1

  9. Improving Reliability of Energy-Efficient Parallel Storage Systems by Disk Swapping

    E-Print Network [OSTI]

    Qin, Xiao

    and the Massive Array of Idle Disks (MAID) technique are two effective energy saving schemes for parallel disk [2]. Existing energy conservation techniques can yield significant en- ergy savings in disks. While several energy conservation schemes like cache-based energy saving approaches normally have marginal

  10. Charging-free electrochemical system for harvesting low-grade thermal energy

    E-Print Network [OSTI]

    Cui, Yi

    Charging-free electrochemical system for harvesting low-grade thermal energy Yuan Yanga,1 , Seok processes, environment, solar-thermal, and geothermal en- ergy (1­3). It is generally difficult to convert Cuib,d,3 , and Gang Chena,3 a Department of Mechanical Engineering, Massachusetts Institute

  11. NEW CONCEPTS FOR STATIC CONCENTRATION OF DIRECT AND DIFFUSE RADIATION A. Luque, J. Eguren, J.M. Ruiz, A. Cuevas, J. del Alamo, J.M. Gomez, M.

    E-Print Network [OSTI]

    del Alamo, Jesús A.

    NEW CONCEPTS FOR STATIC CONCENTRATION OF DIRECT AND DIFFUSE RADIATION A. Luque, J. Eguren, J en,ergy on a cell placed in a static concentrator of minimum entry aperture are derived at a cost estimat~ of $3.19 W/peak. 1. INTRODUCTION Conventional concentrating photovoltai~ devices require

  12. SANDIA REPORT SAND2013-2789

    E-Print Network [OSTI]

    Tesfatsion, Leigh

    SANDIA REPORT SAND2013-2789 Printed April 2013 New Wholesale Power Market Design Using Linked://www.ntis.gov/help/ordermethods.asp?loc=7-4-0#online DEPA RTMENT OF EN ERGY · · UNITED STATES OF AM ERICA 2 #12;SAND2013-2789 Unlimited

  13. Enabling Building Energy Auditing Using Adapted Occupancy Ankur Kamthe, Varick Erickson, Miguel A. Carreira-Perpi~nan and Alberto Cerpa

    E-Print Network [OSTI]

    Cerpa, Alberto E.

    energy consumption has become important due to stricter energy regulations, increasing en- ergy costsEnabling Building Energy Auditing Using Adapted Occupancy Models Ankur Kamthe, Varick Erickson of California, Merced {akamthe,verickson,mcarreira-perpinan,acerpa}@ucmerced.edu Abstract Understanding building

  14. FINITE ELEMENT ANALYSIS OF A CLASS OF STRESS-FREE MARTENSITIC MICROSTRUCTURES

    E-Print Network [OSTI]

    Li, Bo

    FINITE ELEMENT ANALYSIS OF A CLASS OF STRESS-FREE MARTENSITIC MICROSTRUCTURES BO LI Abstract. This work is concerned with the finite element approximation of a class of stress-free martensitic microstructures modeled by multi-well en- ergy minimization. Finite element energy-minimizing sequences are first

  15. FINITE ELEMENT ANALYSIS OF A CLASS OF STRESSFREE MARTENSITIC MICROSTRUCTURES

    E-Print Network [OSTI]

    Li, Bo

    FINITE ELEMENT ANALYSIS OF A CLASS OF STRESS­FREE MARTENSITIC MICROSTRUCTURES BO LI Abstract. This work is concerned with the finite element approximation of a class of stress­free martensitic microstructures modeled by multi­well en­ ergy minimization. Finite element energy­minimizing sequences are first

  16. A Framework for Dynamic Energy Efficiency and Temperature Management

    E-Print Network [OSTI]

    Torrellas, Josep

    A Framework for Dynamic Energy Efficiency and Temperature Management Michael Huang ¡ , Jose Renau high en- ergy requirements on the chips. One way to address this prob- lem is to manage the energy dynamically. Unfortunately, cur- rent dynamic schemes for energy management are relatively limited

  17. Energy Management of DVS-DPM Enabled Embedded Systems Powered by Fuel Cell-Battery Hybrid Source

    E-Print Network [OSTI]

    Kambhampati, Subbarao

    Energy Management of DVS-DPM Enabled Embedded Systems Powered by Fuel Cell-Battery Hybrid Source a policy to maximize the operational lifetime of a DVS-DPM enabled embedded system powered by a fuel cell of the fuel cell (FC), and that the fuel consumption can be minimized by a combination of a load en- ergy

  18. WU ET AL. VOL. XXX ' NO. XX ' 000000 ' XXXX www.acsnano.org

    E-Print Network [OSTI]

    Wang, Zhong L.

    self-powered nano/microsystems. The power consumption of nano/microdevices is usually in the range Lead Zirconate Titanate Nanowire Textile Nanogenerator for Wearable Energy-Harvesting and Self, miniaturization, multi- functionality, flexibility, and low en- ergy consumption have become the development trend

  19. EVALUATION OF A PROTOTYPE SOLAR AWNING A prototype solar awning has been designed and installed on

    E-Print Network [OSTI]

    Oregon, University of

    Project is one of several renewable en- ergy demonstration projects that OUS has developed that can best Increase the competitiveness of the university system's renewable energy curriculum Increase the value opportunities in emerging renewable energy industries. With support from the Governor and Legislature, many laws

  20. Rapidity Dependence of Charged Antiparticle-to-Particle Ratios in Au+Au Collisions at

    E-Print Network [OSTI]

    Bohr Institute, Blegdamsvej 17, University of Copenhagen, Copenhagen 2100, Denmark 8 Texas A of the dynamics of high en- ergy nucleus-nucleus collisions [1, 2]. At the energy of sNN =200 GeV considerable is significant and produc- tion mechanisms other than particle-antiparticle pair production play a substantial

  1. Nuclear stopping and rapidity loss in Au+Au collisions at sNN =62.4 GeV

    E-Print Network [OSTI]

    ­protons after the collision then not only determines the energy available for particle production, but alsoNiels Bohr Institute, University of Copenhagen, Copenhagen, Denmark gTexas A&M University, College Station energy are discussed. PACS numbers: 25.75 Dw. In collisions between gold nuclei at the top en- ergy ( s

  2. Free Lunch: Exploiting Renewable Energy For Computing Sherif Akoush, Ripduman Sohan, Andrew Rice, Andrew W. Moore and Andy Hopper

    E-Print Network [OSTI]

    Haddadi, Hamed

    Free Lunch: Exploiting Renewable Energy For Computing Sherif Akoush, Ripduman Sohan, Andrew Rice renewable en- ergy by (i) colocating datacentres with these remote energy sources, (ii) connecting them over that period. In anticipation of this growth, our industry is begin- ning to explore renewable energy

  3. Paint By Relaxation Aaron Hertzmann

    E-Print Network [OSTI]

    Paint By Relaxation Aaron Hertzmann New York University Abstract We use relaxation to produce painted imagery from images and video. An energy function is first spec- ified; we then search for a painting with minimal en- ergy. The appeal of this strategy is that, ideally, we need only specify what we

  4. GreenHadoop: Leveraging Green Energy in Data-Processing Frameworks

    E-Print Network [OSTI]

    Bianchini, Ricardo

    GreenHadoop: Leveraging Green Energy in Data-Processing Frameworks ´I~nigo Goiri Dept. of Computer that energy demand and supply must be matched, if we are to take full advantage of the green en- ergy workload to match the green energy supply. In particular, we consider data-processing frameworks, in which

  5. The fast simulated annealing algorithm applied to the search problem in LEED

    E-Print Network [OSTI]

    Soares, Edmar Avellar

    The fast simulated annealing algorithm applied to the search problem in LEED V.B. Nascimento a,*, V ). Ó 2001 Elsevier Science B.V. All rights reserved. Keywords: Low energy electron diraction (LEED The surface structure determination by low en- ergy electron diraction (LEED) is based on a comparison between

  6. The Smart Thermostat: Using Occupancy Sensors to Save Energy in Homes

    E-Print Network [OSTI]

    Whitehouse, Kamin

    The Smart Thermostat: Using Occupancy Sensors to Save Energy in Homes Jiakang Lu, Tamim Sookoor patterns in a home, and how to use these patterns to save energy by auto- matically turning off the home demonstrate that our approach will achieve a 28% en- ergy saving on average, at a cost of approximately $25

  7. Preprint December 2003 A Loading-Dependent Model of Probabilistic Cascading Failure

    E-Print Network [OSTI]

    blackouts. This leads to a new application and derivation of the quasibi- nomial distribution and its is Corporate Fellow, Oak Ridge National Laboratory, Oak Ridge TN 37831 (email: car- rerasba Solutions and funded in part by the Assistant Secretary for Energy Efficiency and Renewable En- ergy, Office

  8. Compiler-Directed Array Interleaving for Reducing Energy in Multi-Bank Memories

    E-Print Network [OSTI]

    Sivasubramaniam, Anand

    players, improving energy efficiency is becoming a critical issue. To develop a truly energy-efficientsystem mobile environments. This paper focuses on improving the effectiveness of en- ergy savings from using of array-dominated bench- marks and observe significant savings in memory energy. 1 Introduction Data

  9. PRESS RELEASE FOR IMMEDIATE RELEASE

    E-Print Network [OSTI]

    Hochberg, Michael

    - of-the line products to improve both comfort and lon- gevity. For further information, contact, WA ­ The Sensors, En- ergy, and Automation Laboratory of the University of Washington-resolution pressure sensors that can be incor- porated into the lining of artificial limbs, accurately

  10. Laser ion source development for the Columbia University microbeam A. W. Bigelow,a)

    E-Print Network [OSTI]

    Bigelow, Alan W.

    -Pehrson, and D. J. Brenner Center for Radiological Research, Columbia University, New York, New York 10032, to extend the linear en- ergy transfer LET range of our experiments, highly charged heavy ions are necessary particle accelerator laboratories.2 Many of these ion sources share a common mechanism of plasma generation

  11. IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY, VOL. 21, NO. 3, JUNE 2011 2529 Development of a Multifilament PIT V3GaConductor

    E-Print Network [OSTI]

    of developing new types of energy genera- tion and storage will intensify in the coming decades. The rapid, resilience to applied strain, and reduced risk of induced radioactivity. A multifilament powder-in- tube V3Ga to a drastic global en- ergy crisis within several generations if new energy sources are not established

  12. Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels

    SciTech Connect (OSTI)

    Peterson, Eric; Krejci, Michael; Mathieu, Olivier; Vissotski, Andrew; Ravi, Sankat; Plichta, Drew; Sikes, Travis; Levacque, Anthony; Camou, Alejandro; Aul, Christopher

    2013-09-30

    This final report documents the technical results of the 3-year project entitled, “Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels,” funded under the NETL of DOE. The research was conducted under six main tasks: 1) program management and planning; 2) turbulent flame speed measurements of syngas mixtures; 3) laminar flame speed measurements with diluents; 4) NOx mechanism validation experiments; 5) fundamental NOx kinetics; and 6) the effect of impurities on NOx kinetics. Experiments were performed using primary constant-volume vessels for laminar and turbulent flame speeds and shock tubes for ignition delay times and species concentrations. In addition to the existing shock- tube and flame speed facilities, a new capability in measuring turbulent flame speeds was developed under this grant. Other highlights include an improved NOx kinetics mechanism; a database on syngas blends for real fuel mixtures with and without impurities; an improved hydrogen sulfide mechanism; an improved ammonia kintics mechanism; laminar flame speed data at high pressures with water addition; and the development of an inexpensive absorption spectroscopy diagnostic for shock-tube measurements of OH time histories. The Project Results for this work can be divided into 13 major sections, which form the basis of this report. These 13 topics are divided into the five areas: 1) laminar flame speeds; 2) Nitrogen Oxide and Ammonia chemical kinetics; 3) syngas impurities chemical kinetics; 4) turbulent flame speeds; and 5) OH absorption measurements for chemical kinetics.

  13. Pattern Formation and Growth Kinetics in Eutectic Systems

    SciTech Connect (OSTI)

    Jing Teng

    2007-12-01

    Growth patterns during liquid/solid phase transformation are governed by simultaneous effects of heat and mass transfer mechanisms, creation of new interfaces, jump of the crystallization units from liquid to solid and their rearrangement in the solid matrix. To examine how the above processes influence the scale of microstructure, two eutectic systems are chosen for the study: a polymeric system polyethylene glycol-p-dibromobenzene (PEG-DBBZ) and a simple molecular system succinonitrile (SCN)-camphor. The scaling law for SCN-camphor system is found to follow the classical Jackson-Hunt model of circular rod eutectic, where the diffusion in the liquid and the interface energy are the main physics governing the two-phase pattern. In contrast, a significantly different scaling law is observed for the polymer system. The interface kinetics of PEG phase and its solute concentration dependence thus have been critically investigated for the first time by directional solidification technique. A model is then proposed that shows that the two-phase pattern in polymers is governed by the interface diffusion and the interface kinetics. In SCN-camphor system, a new branch of eutectic, elliptical shape rodl, is found in thin samples where only one layer of camphor rods is present. It is found that the orientation of the ellipse can change from the major axis in the direction of the thickness to the direction of the width as the velocity and/or the sample thickness is decreased. A theoretical model is developed that predicts the spacing and orientation of the elliptical rods in a thin sample. The single phase growth patterns of SCN-camphor system were also examined with emphasis on the three-dimensional single cell and cell/dendrite transition. For the 3D single cell in a capillary tube, the entire cell shape ahead of the eutectic front can be described by the Saffmann-Taylor finger only at extremely low growth rate. A 3D directional solidification model is developed to characterize the cell shape and tip undercooling and the experimental results are compared with the predictions of the model. From the investigation of cell/dendrite transition, a model is proposed, from which the condition for the onset of the transition can be obtained.

  14. Collisional kinetics of non-uniform electric field, low-pressure, direct-current discharges in H$_{2}$

    E-Print Network [OSTI]

    Phelps, A V

    2010-01-01

    A model of the collisional kinetics of energetic hydrogen atoms, molecules, and ions in pure H$_2$ discharges is used to predict H$_\\alpha$ emission profiles and spatial distributions of emission from the cathode regions of low-pressure, weakly-ionized discharges for comparison with a wide variety of experiments. Positive and negative ion energy distributions are also predicted. The model developed for spatially uniform electric fields and current densities less than $10^{-3}$ A/m$^2$ is extended to non-uniform electric fields, current densities of $10^{3}$ A/m$^2$, and electric field to gas density ratios $E/N = 1.3$ MTd at 0.002 to 5 Torr pressure. (1 Td = $10^{-21}$ V m$^2$ and 1 Torr = 133 Pa) The observed far-wing Doppler broadening and spatial distribution of the H$_\\alpha$ emission is consistent with reactions among H$^+$, H$_2^+$, H$_3^+$, and H$^-H$ ions, fast H atoms, and fast H$_2$ molecules, and with reflection, excitation, and attachment to fast H atoms at surfaces. The H$_\\alpha$ excitation and ...

  15. Ion kinetic energy conservation and magnetic field strength constancy in multi-fluid solar wind Alfv\\'enic turbulence

    E-Print Network [OSTI]

    Matteini, L; Pantellini, F; Velli, M; Schwartz, S J

    2015-01-01

    We investigate properties of the plasma fluid motion in the large amplitude low frequency fluctuations of highly Alfv\\'enic fast solar wind. We show that protons locally conserve total kinetic energy when observed from an effective frame of reference comoving with the fluctuations. For typical properties of the fast wind, this frame can be reasonably identified by alpha particles, which, owing to their drift with respect to protons at about the Alfv\\'en speed along the magnetic field, do not partake in the fluid low frequency fluctuations. Using their velocity to transform proton velocity into the frame of Alfv\\'enic turbulence, we demonstrate that the resulting plasma motion is characterized by a constant absolute value of the velocity, zero electric fields, and aligned velocity and magnetic field vectors as expected for unidirectional Alfv\\'enic fluctuations in equilibrium. We propose that this constraint, via the correlation between velocity and magnetic field in Alfv\\'enic turbulence, is at the origin of ...

  16. Fvrier 2015 1. FRQNT-programme de recherche en partenariat pour l'innovation en production et en

    E-Print Network [OSTI]

    Laval, Université

    de recherche en partenariat pour l'innovation en production et en transformation laitières- VII1 Février 2015 Contenu : 1. FRQNT- programme de recherche en partenariat pour l'innovation en production et en transformation laitières- VII, volet génomique, protéomique et métabolique 2. FRQ- Programme

  17. Kinetic modelling of runaway electron avalanches in tokamak plasmas

    E-Print Network [OSTI]

    Nilsson, E; Peysson, Y; Granetz, R S; Saint-Laurent, F; Vlainic, M

    2015-01-01

    Runaway electrons (REs) can be generated in tokamak plasmas if the accelerating force from the toroidal electric field exceeds the collisional drag force due to Coulomb collisions with the background plasma. In ITER, disruptions are expected to generate REs mainly through knock-on collisions, where enough momentum can be transferred from existing runaways to slow electrons to transport the latter beyond a critical momentum, setting off an avalanche of REs. Since knock-on runaways are usually scattered off with a significant perpendicular component of the momentum with respect to the local magnetic field direction, these particles are highly magnetized. Consequently, the momentum dynamics require a full 3-D kinetic description, since these electrons are highly sensitive to the magnetic non-uniformity of a toroidal configuration. A bounce-averaged knock-on source term is derived. The generation of REs from the combined effect of Dreicer mechanism and knock-on collision process is studied with the code LUKE, a s...

  18. Kinetic effects on robustness of electron magnetohydrodynamic structures

    SciTech Connect (OSTI)

    Hata, M. [Department of Physics, Nagoya University, Nagoya 464-8603 (Japan); Sakagami, H. [Fundamental Physics Simulation Research Division, National Institute for Fusion Science, Toki 509-5292 (Japan); Das, A. [Institute for Plasma Research, Bhat, Gandhinagar 382428 (India)

    2013-04-15

    Following recent remarkable progress in the development of high-power short-pulse lasers, exploration is ongoing into hitherto unknown phenomena at fast time scales of electrons, the understanding of which is becoming crucial. For a simplified description of such phenomena, the Electron Magnetohydrodynamics (EMHDs) fluid description is often adopted. For the possibility of electron transport in high-density plasma, exact solutions of the EMHD model in the form of electron vortex currents, together with their associated magnetic fields, have been considered. However, the fluid EMHD model does not incorporate kinetic effects. Here, the finite Larmor radius effects owing to a finite electron temperature on the robustness of the exact EMHD structures are investigated using two-dimensional particle-in-cell simulations. It is found that larger EMHD vortex structures can sustain themselves for long periods, even in high temperature plasma; however, sustaining structures at higher temperatures tends to be difficult. With increasing temperature, electrons with finite Larmor radii become disengaged from the localized region. It is also shown that structures localized in smaller regions are more difficult to sustain. A quantitative criterion in terms of the structure size and Larmor radius has been established by simulations over a wide range of parameters. Finally, we conclude that a structure, larger than about eight times the typical Larmor radius at r=R, could form and exist even under the effects of finite electron temperature.

  19. Collective transport of weakly interacting molecular motors with Langmuir kinetics

    E-Print Network [OSTI]

    Sameep Chandel; Abhishek Chaudhuri; Sudipto Muhuri

    2015-01-09

    Filament based intracellular transport involves the collective action of molecular motor proteins. Experimental evidences suggest that microtubule (MT) filament bound motor proteins such as {\\it kinesins} weakly interact among themselves during transport and with the surrounding cellular environment. Motivated by these observations we study a driven lattice gas model for collective unidirectional transport of molecular motors on open filament, which incorporates the short-range interactions between the motors on filaments and couples the transport process on filament with surrounding cellular environment through adsorption-desorption Langmuir (LK) kinetics of the motors. We analyse this model within the framework of a Mean Field (MF) theory in the limit of {\\it weak} interactions between the motors. We point to the mapping of this model with the non-conserved version of Katz-Lebowitz-Spohn (KLS) model. The system exhibits rich phase behavior with variety of inhomogeneous phases including localized shocks in the bulk of the filament. We obtain the steady state density and current profiles and analyse their variation as function of the strength of interaction. We compare these MF results with Monte Carlo simulations and find that the MF analysis shows reasonably good agreement as long as the motors are weakly interacting. We also construct the non-equilibrium MF phase diagram.

  20. Kinetic Effects of Energetic Particles on Resistive MHD Stability

    SciTech Connect (OSTI)

    Takahashi, R.; Brennan, D. P. [Department of Physics and Engineering Physics, University of Tulsa, 800 South Tucker Drive, Tulsa, Oklahoma 74104 (United States); Kim, C. C. [Plasma Science and Innovation Center, University of Washington, Seattle, Washington 98195 (United States)

    2009-04-03

    We show that the kinetic effects of energetic particles can play a crucial role in the stability of the m/n=2/1 tearing mode in tokamaks (e.g., JET, JT-60U, and DIII-D), where the fraction of energetic particle {beta}{sub frac} is high. Using model equilibria based on DIII-D experimental reconstructions, the nonideal MHD linear stability of cases unstable to the 2/1 mode is investigated including a {delta}f particle-in-cell model for the energetic particles coupled to the nonlinear 3D resistive MHD code NIMROD[C. C. Kim et al., Phys. Plasmas 15, 072507 (2008)]. It is observed that energetic particles have significant damping and stabilizing effects at experimentally relevant {beta}, {beta}{sub frac}, and S, and excite a real frequency of the 2/1 mode. Extrapolation of the results is discussed for implications to JET and ITER, where the effects are projected to be significant.

  1. Oxidation kinetics of calcium-doped palladium powders

    SciTech Connect (OSTI)

    Jain, S.; Kodas, T.T.; Hampden-Smith, M. [Univ. of New Mexico, Albuquerque, NM (United States)

    1997-04-01

    The oxidation kinetics of submicron Ca-containing Pd powders produced by spray pyrolysis were studied in the temperature range 600 to 675 C using thermogravimetric analysis. The oxidation of pure Pd powder had an activation energy of {approximately}230 kJ/mol in the region 27% < oxidation < 70% and 65 kJ/mol for oxidation > 70%. The activation energies for Pd particles containing 0.01 weight percent (w/o) and 0.4 w/o Ca in the region 27% < oxidation < 70% were {approximately}230 kJ/mol and {approximately}50 kJ/mol, respectively. Transmission electron microscopy suggested that the conversion of Pd to Pd{sup II}O (stoichiometric PdO) proceeds from the particle surface into the interior and not homogeneously throughout the particle. The predictions of a variety of models and rate laws (shrinking core, parabolic, cubic, logarithmic, and inverse logarithmic) were compared with the data. The comparison suggested a mechanism in which oxidation of pure Pd proceeds by chemisorption and diffusion of oxygen to form a substoichiometric oxide, followed by the conversion of substoichiometric PdO to Pd{sup II}O. Oxidation of pure Pd is then probably limited by the diffusion of oxygen through the substoichiometric PdO and/or Pd{sup II}O. The addition of Ca increased the oxidation resistance of Pd most likely by inhibiting oxygen diffusion through the metal oxide layers surrounding the Pd.

  2. Modeling Momentum Transfer from Kinetic Impacts: Implications for Redirecting Asteroids

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

    Stickle, A. M.; Atchison, J. A.; Barnouin, O. S.; Cheng, A. F.; Crawford, D. A.; Ernst, C. M.; Fletcher, Z.; Rivkin, A. S.

    2015-05-19

    Kinetic impactors are one way to deflect a potentially hazardous object headed for Earth. The Asteroid Impact and Deflection Assessment (AIDA) mission is designed to test the effectiveness of this approach and is a joint effort between NASA and ESA. The NASA-led portion is the Double Asteroid Redirect Test (DART) and is composed of a ~300-kg spacecraft designed to impact the moon of the binary system 65803 Didymos. The deflection of the moon will be measured by the ESA-led Asteroid Impact Mission (AIM) (which will characterize the moon) and from ground-based observations. Because the material properties and internal structure ofmore »the target are poorly constrained, however, analytical models and numerical simulations must be used to understand the range of potential outcomes. Here, we describe a modeling effort combining analytical models and CTH simulations to determine possible outcomes of the DART impact. We examine a wide parameter space and provide predictions for crater size, ejecta mass, and momentum transfer following the impact into the moon of the Didymos system. For impacts into “realistic” asteroid types, these models produce craters with diameters on the order of 10 m, an imparted ?v of 0.5–2 mm/s and a momentum enhancement of 1.07 to 5 for a highly porous aggregate to a fully dense rock.« less

  3. Big Entropy Fluctuations in Statistical Equilibrium: The Macroscopic Kinetics

    E-Print Network [OSTI]

    B. V. Chirikov; O. V. Zhirov

    2000-10-31

    Large entropy fluctuations in an equilibrium steady state of classical mechanics were studied in extensive numerical experiments on a simple 2--freedom strongly chaotic Hamiltonian model described by the modified Arnold cat map. The rise and fall of a large separated fluctuation was shown to be described by the (regular and stable) "macroscopic" kinetics both fast (ballistic) and slow (diffusive). We abandoned a vague problem of "appropriate" initial conditions by observing (in a long run)spontaneous birth and death of arbitrarily big fluctuations for any initial state of our dynamical model. Statistics of the infinite chain of fluctuations, reminiscent to the Poincar\\'e recurrences, was shown to be Poissonian. A simple empirical relation for the mean period between the fluctuations (Poincar\\'e "cycle") has been found and confirmed in numerical experiments. A new representation of the entropy via the variance of only a few trajectories ("particles") is proposed which greatly facilitates the computation, being at the same time fairly accurate for big fluctuations. The relation of our results to a long standing debates over statistical "irreversibility" and the "time arrow" is briefly discussed too.

  4. Kinetic Modeling of Combustion Characteristics of Real Biodiesel Fuels

    SciTech Connect (OSTI)

    Naik, C V; Westbrook, C K

    2009-04-08

    Biodiesel fuels are of much interest today either for replacing or blending with conventional fuels for automotive applications. Predicting engine effects of using biodiesel fuel requires accurate understanding of the combustion characteristics of the fuel, which can be acquired through analysis using reliable detailed reaction mechanisms. Unlike gasoline or diesel that consists of hundreds of chemical compounds, biodiesel fuels contain only a limited number of compounds. Over 90% of the biodiesel fraction is composed of 5 unique long-chain C{sub 18} and C{sub 16} saturated and unsaturated methyl esters. This makes modeling of real biodiesel fuel possible without the need for a fuel surrogate. To this end, a detailed chemical kinetic mechanism has been developed for determining the combustion characteristics of a pure biodiesel (B100) fuel, applicable from low- to high-temperature oxidation regimes. This model has been built based on reaction rate rules established in previous studies at Lawrence Livermore National Laboratory. Computed results are compared with the few fundamental experimental data that exist for biodiesel fuel and its components. In addition, computed results have been compared with experimental data for other long-chain hydrocarbons that are similar in structure to the biodiesel components.

  5. Mechanism and kinetics of peptide partitioning into membranes

    SciTech Connect (OSTI)

    Ulmschneider, Martin [University of Oxford; Killian, J Antoinette [University of Utrecht; Doux, Jacques P. F. [University of Utrecht; Smith, Jeremy C [ORNL; Ulmschneider, Jakob [University of Heidelberg

    2010-02-01

    Partitioning properties of transmembrane (TM) polypeptide segments directly determine membrane protein folding, stability, and function, and their understanding is vital for rational design of membrane active peptides. However, direct determination of water-to-bilayer transfer of TM peptides has proved difficult. Experimentally, sufficiently hydrophobic peptides tend to aggregate, while atomistic computer simulations at physiological temperatures cannot yet reach the long time scales required to capture partitioning. Elevating temperatures to accelerate the dynamics has been avoided, as this was thought to lead to rapid denaturing. However, we show here that model TM peptides (WALP) are exceptionally thermostable. Circular dichroism experiments reveal that the peptides remain inserted into the lipid bilayer and are fully helical, even at 90 C. At these temperatures, sampling is 50 500 times faster, sufficient to directly simulate spontaneous partitioning at atomic resolution. A folded insertion pathway is observed, consistent with three-stage partitioning theory. Elevated temperature simulation ensembles further allow the direct calculation of the insertion kinetics, which is found to be first-order for all systems. Insertion barriers are Hin = 15 kcal/mol for a general hydrophobic peptide and 23 kcal/mol for the tryptophan-flanked WALP peptides. The corresponding insertion times at room temperature range from 8.5 s to 163 ms. High-temperature simulations of experimentally validated thermostable systems suggest a new avenue for systematic exploration of peptide partitioning properties.

  6. Stochastic cooling of bunched beams from fluctuation and kinetic theory

    SciTech Connect (OSTI)

    Chattopadhyay, S.

    1982-09-01

    A theoretical formalism for stochastic phase-space cooling of bunched beams in storage rings is developed on the dual basis of classical fluctuation theory and kinetic theory of many-body systems in phase-space. The physics is that of a collection of three-dimensional oscillators coupled via retarded nonconservative interactions determined by an electronic feedback loop. At the heart of the formulation is the existence of several disparate time-scales characterizing the cooling process. Both theoretical approaches describe the cooling process in the form of a Fokker-Planck transport equation in phase-space valid up to second order in the strength and first order in the auto-correlation of the cooling signal. With neglect of the collective correlations induced by the feedback loop, identical expressions are obtained in both cases for the coherent damping and Schottky noise diffusion coefficients. These are expressed in terms of Fourier coefficients in a harmonic decomposition in angle of the generalized nonconservative cooling force written in canonical action-angle variables of the particles in six-dimensional phase-space. Comparison of analytic results to a numerical simulation study with 90 pseudo-particles in a model cooling system is presented.

  7. Utilization of Kinetic Isotope Effects for the Concentration of Tritium

    SciTech Connect (OSTI)

    Brown, Gilbert M.; Meyer, Thomas J.; Moyer, Bruce A.

    2000-06-01

    Work is in progress to develop methods for concentrating tritium in water based on large primary isotope effects in catalytic redox processes. Basic research is being conducted to develop the chemistry of a complete cyclic process. The process will remove tritium from H2O by concentrating it with respect to protio-water. This research involves developing chemical cycles that produce high concentration factors for HTO based on the discrimination of CH and C-T bonds in oxidation reactions. Several steps are required in a cyclic process for the concentration of tritium in water. In the first step, the tritium is incorporated in an organic compound. H-T discrimination occurs as the tritium containing compound is oxidized in a step involving a Ru(IV) oxo complex. Strong primary kinetic isotope effects lead to the oxidation of C-H bonds in preference to C-T bonds, and this reaction leads to concentration of tritium in the organic compound. The reduced form of the ruthenium compound can be reoxidized so that the oxidation step can be made catalytic.

  8. Kinetic Turbulence in the Terrestrial Magnetosheath: Cluster Observations

    E-Print Network [OSTI]

    Huang, S Y; Deng, X H; He, J S; Yuan, Z G; Zhou, M; Pang, Y; Fu, H S

    2013-01-01

    We present a first statistical study of subproton and electron scales turbulence in the terrestrial magnetosheath using the Cluster Search Coil Magnetometer (SCM) waveforms of the STAFF instrument measured in the frequency range [1,180] Hz. It is found that clear spectral breaks exist near the electron scale, which separate two power-law like frequency bands referred to as the dispersive and the electron dissipation ranges. The frequencies of the breaks f_b are shown to be well correlated with the electron gyroscale \\rho_e rather than with the electron inertial length de. The distribution of the slopes below fb was found to be narrow and peaks near -2.9, while that of the slopes above fb was found broader, peaks near -5.2 and has values as low as -7.5. This is the first time that such steep power-law spectra are reported in space plasma turbulence. These observations provide strong constraints on theoretical modeling of kinetic turbulence and dissipation in collisionless magnetized plasmas.

  9. TOTAL SES SL EJ//EK EN IV EN III

    National Nuclear Security Administration (NNSA)

    SL EJEK EN IV EN III NN (Engineering) NQ (ProfTechAdmin) NU (TechAdminSupport) RETIREMENT ELIGIBLE TO RETIRE IMMEDIATELY 11 13.9% ELIGIBLE TO RETIRE BY 3272014 29 36.7%...

  10. EN COOPERACIN En los pases del Sur 41

    E-Print Network [OSTI]

    « Población, salud, desarrollo sustentable en África subsahariana » fue organizada por el IRD, la Agencia, a través principalmente de la instrumentación del convenio sobre el desarrollo sustentable firmado en 2004

  11. modelado en geofisica aplicado al transporte de nitrato en aguas

    E-Print Network [OSTI]

    química del agua subterránea. Palabras claves - nitrato, modelado, contaminación. INTRODUCCIÓN. Las fuentes de nitrato en el subsuelo se deben a ...

  12. Photo-oxidation of Ge Nanocrystals: Kinetic Measurements by In Situ Raman Spectroscopy

    E-Print Network [OSTI]

    2008-01-01

    Photo-oxidation of Ge Nanocrystals: Kinetic Measurements byBerkeley, CA, 94720 ABSTRACT Ge nanocrystals are formed inthe Raman spectra of the Ge nanocrystals in-situ. The

  13. Separating the Kinetic and Sorption Parameters of Mixed Chlorinated Solvents in Contact with Granular Iron

    E-Print Network [OSTI]

    Huang, Bei

    2011-08-31

    , validating the methodology. Finally, the activation energy of the 4-chloronitrobenzene reacting with two types of granular iron, Connelly iron and QMP, in batch reactors was obtained to assess the role of mass transfer in controlling the kinetics. Previous...

  14. Addition and recombination reactions of unsaturated radicals using a novel laser kinetics spectrometer

    E-Print Network [OSTI]

    Ismail, Huzeifa

    2008-01-01

    This thesis describes the construction of a novel, low-noise laser kinetics spectrometer. A quasi-CW (picosecond pulse), tunable Ti:Sapphire laser is used to detect various transient species in laser flash photolysis ...

  15. Systematics of intermediate mass fragment kinetic energy spectra in the projectile fragmentation of gold nuclei

    SciTech Connect (OSTI)

    Warren, P.; Choi, Y.; Elliot, J.B.; Hauger, J.A. [and others

    1995-10-01

    The characteristics of intermediate mass fragment kinetic energy spectra produced in 1 AGeV Au+C collisions are investigated as a means of determining the conditions at freezeout in multiframentation.

  16. Mechanism and kinetics of phase transitions and other reactions in solids

    E-Print Network [OSTI]

    Yuri Mnyukh

    2011-10-07

    The work is presented, leading to the universal contact molecular mechanism of phase transitions and other reactions in solid state. The two components of the mechanism - nucleation and interface propagation - are investigated in detail and their role in the kinetics is specified. They were shown to be peculiar: nucleation is "pre-coded", rather than resulted from a successful fluctuation, and the interface propagates by molecular filling of thin layers in the transverse direction. The structure of the nucleation sites is determined. The inherent instability and irreproducibility of the kinetics in question is revealed. A linear kinetics, as opposed to the bulk kinetics, is introduced and shown to be in accord with the contact mechanism. Ferromagnetic phase transition and magnetization are added to the list of solid-state reactions; neither occurs without structural rearrangement.

  17. Kinetic Structure of the Electron Diffusion Region in Antiparallel Magnetic Reconnection

    E-Print Network [OSTI]

    Ng, Jonathan

    Strong electron pressure anisotropy has been observed upstream of electron diffusion regions during reconnection in Earth’s magnetotail and kinetic simulations. For collisionless antiparallel reconnection, we find that the ...

  18. Reaction kinetics for the high temperature oxidation of Pu--1wt%Ga in water vapor

    SciTech Connect (OSTI)

    Stakebake, J L; Saba, M A

    1988-01-01

    Oxidation of plutonium metal is greatly accelerated by the presence of water vapor. The magnitude of the effect of water vapor on oxidation kinetics is determined by temperature, water concentration, and oxygen concentration. Most of the previous work has been directed toward evaluating the effect of moisture on the atmospheric oxidation of plutonium. Work on the isolation and characterization of the water reaction with plutonium has been very limited. The present work was undertaken to determine the kinetics of the plutonium--water reaction over a wide range of temperature and pressure. Reaction kinetics were measured using a vacuum microbalance system. The temperature range investigated was 100--500/degree/C. The effect of water vapor pressure on reaction kinetics was determined at 300/degree/C by varying the water pressure from 0.1 to 15 Torr. 2 figs.

  19. Building KiMoSin : design requirements for kinetic interfaces in protein education

    E-Print Network [OSTI]

    Brown, Ashlie (Ashlie M.)

    2007-01-01

    Design guidelines for tools to enhance protein education are developed and applied to a prototype tool. A literature search and personal experience suggest kinetic, tangible models fill the current gaps in protein education. ...

  20. Nonlinear and linear timescales near kinetic scales in solar wind turbulence

    SciTech Connect (OSTI)

    Matthaeus, W. H.; Wan, M.; Shay, M. A.; Oughton, S.; Osman, K. T.; Chapman, S. C.; Servidio, S.; Valentini, F.; Gary, S. P.; Roytershteyn, V.; Karimabadi, H.

    2014-08-01

    The application of linear kinetic treatments to plasma waves, damping, and instability requires favorable inequalities between the associated linear timescales and timescales for nonlinear (e.g., turbulence) evolution. In the solar wind these two types of timescales may be directly compared using standard Kolmogorov-style analysis and observational data. The estimated local (in scale) nonlinear magnetohydrodynamic cascade times, evaluated as relevant kinetic scales are approached, remain slower than the cyclotron period, but comparable to or faster than the typical timescales of instabilities, anisotropic waves, and wave damping. The variation with length scale of the turbulence timescales is supported by observations and simulations. On this basis the use of linear theory—which assumes constant parameters to calculate the associated kinetic rates—may be questioned. It is suggested that the product of proton gyrofrequency and nonlinear time at the ion gyroscales provides a simple measure of turbulence influence on proton kinetic behavior.

  1. Recent Advances in Detailed Chemical Kinetic Models for Large Hydrocarbon and Biodiesel Transportation Fuels

    SciTech Connect (OSTI)

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

    2009-03-30

    n-Hexadecane and 2,2,4,4,6,8,8-heptamethylnonane represent the primary reference fuels for diesel that are used to determine cetane number, a measure of the ignition property of diesel fuel. With the development of chemical kinetics models for these two primary reference fuels for diesel, a new capability is now available to model diesel fuel ignition. Also, we have developed chemical kinetic models for a whole series of large n-alkanes and a large iso-alkane to represent these chemical classes in fuel surrogates for conventional and future fuels. Methyl decanoate and methyl stearate are large methyl esters that are closely related to biodiesel fuels, and kinetic models for these molecules have also been developed. These chemical kinetic models are used to predict the effect of the fuel molecule size and structure on ignition characteristics under conditions found in internal combustion engines.

  2. Phase-field Model for Stress-dependent Ginsburg-Landau Kinetics...

    Office of Scientific and Technical Information (OSTI)

    Phase-field Model for Stress-dependent Ginsburg-Landau Kinetics for Large Deformation of Silicon Anodes Citation Details In-Document Search Title: Phase-field Model for...

  3. In situ Microscopy Studies of Growth Kinetics of Monolayer Graphene on Pd(111)

    E-Print Network [OSTI]

    Mok, Hoi Sing

    2013-01-01

    transport in suspended graphene," Phys Rev Lett 101 (9),Growth Kinetics of Monolayer Graphene on Pd(111),"X. Weng, "Top-Gated Epitaxial Graphene FETs on Si-Face SiC

  4. Application of kinetic isotope effects and theoretical calculations to interesting reaction mechanisms 

    E-Print Network [OSTI]

    Hirschi, Jennifer Sue

    2009-05-15

    A variety of biological and organic reaction mechanisms are studied using powerful tools from experimental and theoretical chemistry. These tools include the precise measurement of kinetic isotope effects (KIEs) and the ...

  5. The distribution of eddy kinetic and potential energies in the global ocean

    E-Print Network [OSTI]

    Ferrari, Raffaele

    Understanding of the major sources, sinks, and reservoirs of energy in the ocean is briefly updated in a diagram. The nature of the dominant kinetic energy reservoir, that of the balanced variablity, is then found to be ...

  6. Pyrolysis kinetics of scrap tire rubbers. 1: Using DTG and TGA

    SciTech Connect (OSTI)

    Kim, S.; Park, J.K.; Chun, H.D.

    1995-07-01

    Tire pyrolysis kinetics was investigated to explore an economically viable design for the pyrolysis process. Derivative thermogravimetry (DTG) and thermogravimetric analysis (TGA) were found to provide valuable information on pyrolysis kinetics and mechanisms of a heterogeneous compound like scrap tire rubbers. Kinetic parameters of each compositional compound were obtained by analyzing DTG and TGA results with a series of mathematical methods proposed in this study. The pyrolysis kinetics of the scrap tire rubbers tested was well accounted for by the first-order irreversible independent reactions of three compositional compounds. The sidewall and tread rubber exhibited different thermal degradation patterns, suggesting a compositional difference between them. Isothermal pyrolysis results showed that the sidewall rubber would hardly be degraded at low temperature regions (<600 K), whereas it would be more rapidly degraded than the tread rubber at higher temperatures ({>=}746 K). Because of the shorter pyrolysis time, the higher isothermal pyrolysis temperature appeared to be more economically favorable.

  7. Physicochemical phenomena of electro-kinetic extraction of inorganic contaminants from kaolinite 

    E-Print Network [OSTI]

    Scott, Travis Brooks

    1994-01-01

    Experiments investigating the use of electro-kinetics for removal of inorganic chemicals from kaolinite clay were performed. Kaolinite was homogeneously saturated with a NaCl solution and consolidated to the desired void ratio. Fluid reservoir...

  8. Kinetics and Mechanism of Oxidative Dehydrogenation of Propane on Vanadium, Molybdenum, and Tungsten Oxides

    E-Print Network [OSTI]

    Iglesia, Enrique

    Kinetics and Mechanism of Oxidative Dehydrogenation of Propane on Vanadium, Molybdenum catalysts confirmed that oxidative dehydrogenation of propane occurs via similar pathways, which involve for propane dehydrogenation and for propene combustion increase in the sequence VOx/ZrO2

  9. Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations

    E-Print Network [OSTI]

    Ceder, Gerbrand

    We present an ab initio study of the thermodynamics and kinetics of Li [subscript x]C[subscript 6], relevant for anode Li intercalation in rechargeable Li batteries. In graphite, the interlayer interactions are dominated ...

  10. Cooling-rate dependence of kinetic and mechanical stability of simulated glasses

    E-Print Network [OSTI]

    Hannah Staley; Elijah Flenner; Grzegorz Szamel

    2015-01-14

    Recently, ultrastable glasses have been created through vapor deposition. Subsequently, computer simulation algorithms have been proposed that mimic the vapor deposition process and result in simulated glasses with increased stability. In addition, random pinning has been used to generate very stable glassy configurations without the need for lengthy annealing or special algorithms inspired by vapor deposition. Kinetic and mechanical stability of experimental ultrastable glasses is compared to those of experimental glasses formed by cooling. We provide the basis for a similar comparison for simulated stable glasses: we analyze the kinetic and mechanical stability of simulated glasses formed by cooling at a constant rate by examining the transformation time to a liquid upon rapid re-heating, the inherent structure energies, and the shear modulus. The kinetic and structural stability increases slowly with decreasing cooling rate. The methods outlined here can be used to assess kinetic and mechanical stability of simulated glasses generated by using specialized algorithms.

  11. Kinetic viscoelasticity modeling applied to degradation during carbon–carbon composite processing

    E-Print Network [OSTI]

    Drakonakis, Vasileios M.

    Kinetic viscoelasticity modeling has been successfully utilized to describe phenomena during cure of thermoset based carbon fiber reinforced matrices. The basic difference from classic viscoelasticity is that the fundamental ...

  12. Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes

    E-Print Network [OSTI]

    Sheng, Wenchao

    The kinetics of the hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) on polycrystalline platinum [Pt(pc)] and high surface area carbon-supported platinum nanoparticles (Pt/C) were studied in 0.1 M ...

  13. Solution of the space-dependent reactor kinetics equations in three dimensions

    E-Print Network [OSTI]

    Ferguson, Donald Ross

    1971-01-01

    A general class of two-step alternating-direction semi-implicit methods is proposed for the approximate solution of the semi-discrete form of the space-dependent reactor kinetics equations. An exponential transformation ...

  14. Charge transfer kinetics at the solid–solid interface in porous electrodes

    E-Print Network [OSTI]

    Bai, Peng

    Interfacial charge transfer is widely assumed to obey the Butler–Volmer kinetics. For certain liquid–solid interfaces, the Marcus–Hush–Chidsey theory is more accurate and predictive, but it has not been applied to porous ...

  15. Unusual Intramolecular Kinetic Isotope Effects: Selectivity beyond Transition State Theory’s Jurisdiction 

    E-Print Network [OSTI]

    Andujar-De Sanctis, Ivonne

    2014-10-16

    The nature of non-statistical dynamic Kinetic Isotope Effects for a series of ordinary organic reactions is studied throughout this dissertation. A combination of experimental intramolecular KIEs using NMR methodology with ...

  16. Kinetics of the water adsorption driven structural transformation of ZnS nanoparticles

    E-Print Network [OSTI]

    Goodell, C.M.; Gilbert, B.; Weigand, S.J.; Banfield, J.F.

    2008-01-01

    increased surface coverage of water allows the particles to6, 605. Kinetics of the water adsorption driven structuralhas been saturated with water is placed at the bottom of the

  17. Oxidation kinetics of methylphosphonic acid in supercritical water : experimental measurements and model development

    E-Print Network [OSTI]

    Sullivan, Patricia A. (Patricia Ann), 1978-

    2004-01-01

    (cont.) at well-defined operating conditions and to develop. both microscopic and macroscopic models, ranging from regressed global models to an elementary reaction mechanism, to quantify MPA oxidation kinetics in supercritical ...

  18. Systems, methods and computer-readable media to model kinetic performance of rechargeable electrochemical devices

    DOE Patents [OSTI]

    Gering, Kevin L.

    2013-01-01

    A system includes an electrochemical cell, monitoring hardware, and a computing system. The monitoring hardware samples performance characteristics of the electrochemical cell. The computing system determines cell information from the performance characteristics. The computing system also analyzes the cell information of the electrochemical cell with a Butler-Volmer (BV) expression modified to determine exchange current density of the electrochemical cell by including kinetic performance information related to pulse-time dependence, electrode surface availability, or a combination thereof. A set of sigmoid-based expressions may be included with the modified-BV expression to determine kinetic performance as a function of pulse time. The determined exchange current density may be used with the modified-BV expression, with or without the sigmoid expressions, to analyze other characteristics of the electrochemical cell. Model parameters can be defined in terms of cell aging, making the overall kinetics model amenable to predictive estimates of cell kinetic performance along the aging timeline.

  19. Aging Effects on the Kinetics of Cesium Desorption from Vermiculite And Contaminated Soil

    E-Print Network [OSTI]

    Sparks, Donald L.

    Aging Effects on the Kinetics of Cesium Desorption from Vermiculite And Contaminated Soil A. M), it is important to determine how aging affects 137 Cs desorption. This study uses a batch technique to measure 0

  20. Modelling precipitation sequences in power plant steels Part 2 -Application of kinetic theory

    E-Print Network [OSTI]

    Cambridge, University of

    Modelling precipitation sequences in power plant steels Part 2 - Application of kinetic theory J. D to predictthevastdifferencesin precipitation kineticsreportedin thepublishedliteraturefor powerplant steels.By implication, the precipitate phases usually present are metastable. Indeed,it is well establishedthat thereis

  1. Kinetic Precipitation of Solution-Phase Polyoxomolybdate Followed by Transmission Electron Microscopy

    E-Print Network [OSTI]

    Cammers, Arthur

    Kinetic Precipitation of Solution-Phase Polyoxomolybdate Followed by Transmission Electron} keplerate after three days revealed large species (r=20±30 nm) in the co- precipitate, whereas {Mo132

  2. Teatristas latinoamericanos en escenarios cubanos

    E-Print Network [OSTI]

    Espinosa Domí nguez, Carlos

    1984-10-01

    Americas, esa modélica institución que en 1984 festeja su vigésimo quinto aniversario. Los temas y autores de Latinoamérica, de otro lado, estuvieron presentes en el trabajo de los colectivos cubanos. Debe encabezar la lista la puesta de Atahualpa del...

  3. El Campo Queretano En Transición

    E-Print Network [OSTI]

    1997-01-01

    ecológico, ya que permite un ahorro de recursos” (GobiernoEsto se logra por medio del ahorro en tandas y/o utilizandoalgo así como una caja de ahorro a corto o mediano plazo. En

  4. El campo queretano en transición

    E-Print Network [OSTI]

    Cabello, editor, Gaspar Real

    1997-01-01

    ecológico, ya que permite un ahorro de recursos” (GobiernoEsto se logra por medio del ahorro en tandas y/o utilizandoalgo así como una caja de ahorro a corto o mediano plazo. En

  5. Towards accurate kinetic modeling of prompt NO formation in hydrocarbon flames via the NCN pathway

    SciTech Connect (OSTI)

    Sutton, Jeffrey A. [Department of Mechanical Engineering, The Ohio State University, Columbus, OH 43210 (United States); Fleming, James W. [Navy Technology Center for Safety and Survivability, Chemistry Division, Code 6185, Naval Research Laboratory, Washington, DC 20375-5342 (United States)

    2008-08-15

    A basic kinetic mechanism that can predict the appropriate prompt-NO precursor NCN, as shown by experiment, with relative accuracy while still producing postflame NO results that can be calculated as accurately as or more accurately than through the former HCN pathway is presented for the first time. The basic NCN submechanism should be a starting point for future NCN kinetic and prompt NO formation refinement.

  6. Kinetics of dissolution and bio-availability of iron in amorphous siliceous iron oxides 

    E-Print Network [OSTI]

    Seaman, John C.

    1990-01-01

    KINETICS OF DISSOLUTION AND BIO-AVAILABILITY OF IRON IN AMORPHOUS SILICEOUS IRON OXIDES A Thesis By John C. Seaman Submitted to the Graduate College of Texas AIIM University in partial fulfillment of the requirements for the degree of MASTER... OF SCIENCE December 1990 Major Subject: Soil Science KINETICS OF DISSOLUTION AND BIO-AVAILABILITY OF IRON IN AMORPHOUS SILICEOUS IRON OXIDES A Thesis By John C. Seaman Approved as to style and content by: Richard H. Loeppert (Chair of Committee...

  7. Modification of {Delta}{sup Prime} by magnetic feedback and kinetic effects

    SciTech Connect (OSTI)

    Liu Yueqiang; Hastie, R. J.; Hender, T. C. [Euratom/CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom)

    2012-09-15

    Two possible ways of modifying the linear tearing mode index, by active magnetic feedback and by drift kinetic effects of deeply trapped particles, are analytically investigated. Magnetic feedback schemes, studied in this work, are found generally stabilizing for {Delta}{sup Prime }. The drift kinetic effects from both thermal particles and hot ions tend to reduce the power of the large solution from the outer region. This generally leads to a destabilization of {Delta} Prime for the toroidal analytic equilibria considered here.

  8. Consistency of field-theoretical and kinetic calculations of viscous transport coefficients for a relativistic fluid

    E-Print Network [OSTI]

    Gabriel S. Denicol; Xu-Guang Huang; Tomoi Koide; Dirk H. Rischke

    2010-03-03

    The transport coefficients of causal relativistic dissipative fluid dynamics are calculated both in a field-theoretical and a kinetic approach. We find that the results from the traditional kinetic calculation by Israel and Stewart are modified. The new expressions for the viscous transport coefficients agree with the results obtained in the field-theoretical approach when the contributions from pair creation and annihilation are neglected.

  9. Growth Kinetics of Wildlife E. coli Isolates in Soil and Water 

    E-Print Network [OSTI]

    Gallagher, Meghan

    2012-07-16

    water microcosm were spread plated onto MacConkey agar (Difco?) plate at different sampling times. The E. coli concentrations (CFU/mL) were recorded at each sampling time. The kinetic characteristics of E. coli strains in water at different... KINETICS OF WILDLIFE E. COLI ISOLATES IN SOIL AND WATER A Thesis by MEGHAN ANNE GALLAGHER Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE...

  10. Ranges and kinetic energies of fragments from 14.5-mev neutrons induced fission of ²³?U 

    E-Print Network [OSTI]

    Desai, Rajanikant Dattatraya

    1966-01-01

    RANGES AND KINETIC ENERGIES OF FRAGMENTS FROM 238 14. 5-MEV NEJTRONS INDUCED FISSION OF U A Thesis By RAJANIKANT DATTATRAYA DESAI Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirements... for the degree of MASTER OF SCIENCE August 1966 Major Subject: 'Chemistry RANGES AND KINETIC ENERGIES OF FRAGMENTS FROM 14 ~ 5-ME% NEUTRONS INDUCED FISSION OF U A Thesis By RAJANIKANT DATTATRAYA DESAI Approved as to style and content by: airman o emmet...

  11. A kinetic investigation of the reaction of dibutyl sodiophosphonate with n-butyl bromide 

    E-Print Network [OSTI]

    Shaffer, James Howard

    1955-01-01

    LIBRARY A A N COLLEGE OF TEXAS A KINETIC INVESTIGATION OI" TIIE RFACTION OF DIBUTYL SODIOITIOSPHONATE II'ITH N BUTYL BROIIllDE A Thesis By James Howard Shaffer Submitted to the Oraduate School of the Agricultural and Mechanical College... of Texn~ in partial fulfillment of the requirements for the de ree of MASTER OF SCIENCE August 1955 Major Subject: Chemistry A KINETIC INVESTIGATION OF THE REACTION OF DIBUTYL SODIOPHOSPHONATE WITH N-BUTYL BROMIDE A Thesis By James Howard Shaffer...

  12. Un teatro campesino en Venezuela

    E-Print Network [OSTI]

    Korn, Guillermo

    1976-10-01

    102 LATIN AMERICAN THEATRE REVIEW Un teatro campesino en Venezuela GUILLERMO KORN Producto espontáneo de la participación colectiva nació el grupo de teatro del Asentamiento Campesino Sabaneta, en el Estado Aragua de Venezuela. Las obras de su..., despertó interés. En la Universidad Central de Venezuela quieren saber más de ustedes. Para eso he venido. . . ? ¿Podrían eventualmente hacer una representación en la Escuela de Comuni cación Social? Almeida: {Claro que sí! Si nos dan un medio para...

  13. Kinetics of anomalous transport and algebraic correlations in a long-range interacting system.

    E-Print Network [OSTI]

    Dauxois, Thierry

    Lyon 46, all´ee d'Italie, 69364 Lyon c´edex 07, France E-mail: Freddy.Bouchet@ens-lyon.fr,Thierry.Dauxois@ens-lyon

  14. Kinetic extensions of magnetohydrodynamic models for axisymmetric toroidal plasmas

    SciTech Connect (OSTI)

    Cheng, C.Z.

    1989-04-01

    A nonvariational kinetic-MHD stability code (NOVA-K) has been developed to integrate a set of non-Hermitian integro-differential eigenmode equations due to energetic particles for axisymmetric toroidal plasmas in a general flux coordinate system with an arbitrary Jacobian. The NOVA-K code employs the Galerkin method involving Fourier expansions in the generalized poloidal angle theta and generalized toroidal angle /zeta/ directions, and cubic-B spline finite elements in the radial /Psi/ direction. Extensive comparisons with the existing variational ideal MHD codes show that the ideal MHD version of the NOVA-K code converges faster and gives more accurate results. The NOVA-K code is employed to study the effects of energetic particles on MHD-type modes: the stabilization of ideal MHD internal kink modes and the excitation of ''fishbone'' internal kink modes; and the alpha particle destabilization of toroidicity-induced Alfven eigenmodes (TAE) via transit resonances. Analytical theories are also presented to help explain the NOVA-K results. For energetic trapped particles generated by neutral beam injection (NBI) or ion cyclotron resonant heating (ICRH), a stability window for the n = 1 internal kink mode in the hot particle beta space exists even in the absence of the core ion finite Larmor radius effect. On the other hand, the trapped alpha particles are found to have negligible effects on the stability of the n = 1 internal kink mode, but the circulating alpha particles can strongly destabilize TAE modes via inverse Landau damping associated with the spatial gradient of the alpha particle pressure. 60 refs., 24 figs., 1 tab.

  15. 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 basis of computational results.

  16. Weakly Ionized Plasmas in Hypersonics: Fundamental Kinetics and Flight Applications

    SciTech Connect (OSTI)

    Macheret, Sergey

    2005-05-16

    The paper reviews some of the recent studies of applications of weakly ionized plasmas to supersonic/hypersonic flight. Plasmas can be used simply as means of delivering energy (heating) to the flow, and also for electromagnetic flow control and magnetohydrodynamic (MHD) power generation. Plasma and MHD control can be especially effective in transient off-design flight regimes. In cold air flow, nonequilibrium plasmas must be created, and the ionization power budget determines design, performance envelope, and the very practicality of plasma/MHD devices. The minimum power budget is provided by electron beams and repetitive high-voltage nanosecond pulses, and the paper describes theoretical and computational modeling of plasmas created by the beams and repetitive pulses. The models include coupled equations for non-local and unsteady electron energy distribution function (modeled in forward-back approximation), plasma kinetics, and electric field. Recent experimental studies at Princeton University have successfully demonstrated stable diffuse plasmas sustained by repetitive nanosecond pulses in supersonic air flow, and for the first time have demonstrated the existence of MHD effects in such plasmas. Cold-air hypersonic MHD devices are shown to permit optimization of scramjet inlets at Mach numbers higher than the design value, while operating in self-powered regime. Plasma energy addition upstream of the inlet throat can increase the thrust by capturing more air (Virtual Cowl), or it can reduce the flow Mach number and thus eliminate the need for an isolator duct. In the latter two cases, the power that needs to be supplied to the plasma would be generated by an MHD generator downstream of the combustor, thus forming the 'reverse energy bypass' scheme. MHD power generation on board reentry vehicles is also discussed.

  17. Thermodynamic and Kinetic Anisotropies in Octane Thin Films

    E-Print Network [OSTI]

    Amir Haji-Akbari; Pablo G. Debenedetti

    2015-09-25

    Confinement breaks the translational symmetry of materials. Such symmetry breaking can be used to obtain configurations that are not otherwise accessible in the bulk. Here, we explore the effect of substrate-liquid interactions on the induced thermodynamic and kinetic anisotropies. We consider n-octane nanofilms that are in contact with substrates with varying degrees of attraction. Complete freezing of octane nanofilms is observed at low temperatures, while at intermediate temperatures, a frozen monolayer emerges at both interfaces. By carefully inspecting the profiles of translational and orientational relaxation times, we confirm that the translational and orientational degrees of freedom are decoupled at these frozen monolayers. At sufficiently high temperatures, however, free interfaces and solid-liquid interfaces close to loose substrates undergo pre-freezing, characterized by mild peaks in several thermodynamic quantities. Two distinct dynamic regimes are observed. The dynamics is accelerated in the vicinity of loose substrates, while sticky substrates decelerate dynamics, sometimes by as much as two orders of magnitude. These two distinct dynamical regimes have been previously by us [JCP 141: 024506, 2014] for a model atomic glass-forming liquid. We also confirm the existence of two correlations proposed in the above-mentioned work in solid-liquid subsurface regions of octane films, i.e., a correlation between density and normal stress, and between atomic translational relaxation time and lateral stress. Finally, we inspect the ability of different regions of a film to explore the potential energy landscape, and observe no noticeable difference between the free surface and the bulk. This is unlike the films of model atomic glass formers that tend to sample their respective landscape more efficiently at free surfaces.

  18. Utilization of Kinetic Isotope Effects for the Concentration of Tritium

    SciTech Connect (OSTI)

    Brown, Gilbert M.; Meyer, Thomas j.; Moyer, Bruce A.

    1999-06-01

    The objective of this research program is to develop methods for concentrating tritium in water based on large primary isotope effects in catalytic redox processes. Basic research is being conducted to develop the chemistry of a complete cyclic process. Because tritium (generally present as HTO) is in a rapidly established equilibrium with protio-water, it moves with groundwater and separation from water cannot be achieved by the usual pump-and-treat methods using sorbants. The general methodology developed in this work will be applicable to a number of DOE waste streams, and as a consequence of the process tritium will be incorporated into an organic compound that will not readily exchange the tritium with groundwater. The process to be developed will remove tritium from H2O by concentrating it with respect to protio-water. This research involves developing chemical cycles that produce high concentration factors for HTO and T2O based on the discrimination of C-H and C-T bonds in oxidation reactions. Several steps are required in a cyclic process for the concentration of tritium in water. In the first step the tritium is incorporated in an organic compound. H-T discrimination occurs as the tritium containing compound is oxidized in a step involving a Ru(IV) oxo complex. Strong primary kinetic isotope effects lead to the oxidation of C-H bonds in preference to C-T bonds, and this reaction leads to concentration of tritium in the organic compound. The reduced form of the ruthenium compound can be reoxidized so that the oxidation step can be made catalytic.

  19. II JORNADAS "PUBLICAR EN REVISTAS

    E-Print Network [OSTI]

    Escolano, Francisco

    II JORNADAS "PUBLICAR EN REVISTAS DE IMPACTO" 20 de Septiembre 2011 Facultad de Ciencias de la Salud #12;Taller: "Elaboración de Manuscritos y Proceso Editorial en Revistas Indexadas: el Caso del: Secretaría. Departamento de Psicología de la Salud II JORNADAS "PUBLICAR EN REVISTAS DE IMPACTO" 20 de

  20. El comportamiento del mercado de trabajo en América Latina en el contexto de la globalización económica

    E-Print Network [OSTI]

    Ruesga, Santos; Fujii, Gerardo

    2006-01-01

    Colombia Chile Perú Venezuela a Ocupados correspondientes aColombia, Chile, Perú y Venezuela. Conviene hacer unaregistrarse en Chile y en Venezuela, en general, situándose