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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:Ezfeedflag JumpID-f <Maintained By Fault PropagationSummerside WindSunErgy 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. University of Delaware EnErgy InstItUtE syMPOsIUM

    E-Print Network [OSTI]

    Firestone, Jeremy

    High Efficiency Photovoltaics Christiana B. Honsberg ­ Associate Professor, Electrical & Computer Engineering Multi-disciplinary Research in Photovoltaics at the Institute of Energy Conversion Robert W

  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

    2015-01-01T23:59:59.000Z

    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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere I Geothermal Pwer Plant JumpMarysville, Ohio:Menomonee|MililaniMindanao GEPP JumpInformation

  6. In order to both assess the accuracy of the frozen-core approximation and to compare en-ergy results for the EXX-OEP with the standard local density approximation (LDA), we

    E-Print Network [OSTI]

    Holzwarth, Natalie

    , RMP 80, 3 (2008). [2] P. Bl¨ochl, PRB 50, 17953 (1994); N. A. W. Holzwarth et al, PRB 55, 2005 (1997). [3] J. Paier et al, JCP 122, 234102 (2005). [4] R. A. Hyman et al, PRB 62, 15521 (2000). [5] S. K

  7. Kinetics of Silica Polymerization

    E-Print Network [OSTI]

    Weres, Oleh

    2011-01-01T23:59:59.000Z

    see S . ) It is the kinetic expression of the increase Therate is in part the kinetic expression of. the reducedrates calculated using kinetic expressions given in Chapter

  8. Drop impact of shear thickening liquids Francois Boyer, Jacco H. Snoeijer, J. Frits Dijksman, and Detlef Lohse

    E-Print Network [OSTI]

    Snoeijer, Jacco

    pop- ular 3D-inkjet-printing [17], most drop impact studies have focused on Newtonian liquids. However, as is theoretically explained from a balance between the kinetic energy and the viscously-dissipated en- ergy, from) [2]. Impact is relevant for a large number of industrial processes (e.g. inkjet-printing [3], spray

  9. THE CONTRIBUTION OF HORIZONTAL SEA-BED DISPLACEMENTS INTO TSUNAMI GENERATION PROCESSES

    E-Print Network [OSTI]

    THE CONTRIBUTION OF HORIZONTAL SEA-BED DISPLACEMENTS INTO TSUNAMI GENERATION PROCESSES DENYS DUTYKH of tsunamis is the deformation of the bot- tom of the ocean caused by an underwater earthquake. Usually, only to the evolution of kinetic and potential en- ergies of the resulting wave while the contribution of horizontal

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

    E-Print Network [OSTI]

    M. Smoluchowski Inst. of Physics, Jagiellonian University, Krakow, Poland eNew York University, New York, USA, f energy are discussed. PACS numbers: 25.75 Dw. In collisions between gold nuclei at the top en- ergy ( s. The energy required for producing these parti- cles comes from the kinetic energy lost by the baryons

  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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluating A PotentialJump to:EmminolEntergyEnvisory Financial RiskEpyon

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

    E-Print Network [OSTI]

    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

  13. An Intelligent Battery Controller Using Bias-Corrected Q-learning

    E-Print Network [OSTI]

    Powell, Warren B.

    and withdrawal of en- ergy from a battery storage device can be easily formulated as a Markov decision process

  14. Erbium hydride decomposition kinetics.

    SciTech Connect (OSTI)

    Ferrizz, Robert Matthew

    2006-11-01T23:59:59.000Z

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  15. Kinetic theory viscosity

    E-Print Network [OSTI]

    C. J. Clarke; J. E. Pringle

    2004-03-17T23:59:59.000Z

    We show how the viscous evolution of Keplerian accretion discs can be understood in terms of simple kinetic theory. Although standard physics texts give a simple derivation of momentum transfer in a linear shear flow using kinetic theory, many authors, as detailed by Hayashi & Matsuda 2001, have had difficulties applying the same considerations to a circular shear flow. We show here how this may be done, and note that the essential ingredients are to take proper account of, first, isotropy locally in the frame of the fluid and, second, the geometry of the mean flow.

  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 equilibrium and relativistic thermodynamics

    E-Print Network [OSTI]

    P. Ván

    2011-02-01T23:59:59.000Z

    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.

  18. Improving alternative fuel utilization: detailed kinetic combustion...

    Energy Savers [EERE]

    Improving alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Improving alternative fuel utilization: detailed kinetic combustion modeling &...

  19. Cosmological Kinetic Mixing

    E-Print Network [OSTI]

    Ashok Das; Jorge Gamboa; Miguel Pino

    2015-04-15T23:59:59.000Z

    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.

  20. Kinetics of Oscillating Neutrinos

    E-Print Network [OSTI]

    P. Strack

    2005-05-12T23:59:59.000Z

    In the context of core-collapse supernovae, Strack and Burrows (Phys. Rev. D 71, 093004 (2005)) have recently developed an extension of the classical Boltzmann kinetic formalism that retains all the standard neutrino oscillation phenomenology, including resonant flavor conversion (the MSW effect), neutrino self-interactions, and the interplay between neutrino-matter coupling and flavor oscillations. In this thesis, I extend the Strack & Burrows formalism to incorporate general relativity, spin degrees of freedom, and a possible neutrino magnetic-moment/magnetic-field interaction.

  1. Chemical kinetics modeling

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  2. Dimensional enhancement of kinetic energies

    E-Print Network [OSTI]

    W. P. Schleich; J. P. Dahl

    2002-03-14T23:59:59.000Z

    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.

  3. Multidimensional simulation and chemical kinetics development...

    Broader source: Energy.gov (indexed) [DOE]

    Developing chemical kinetic mechanisms and applying them to simulating engine combustion processes. deer09aceves.pdf More Documents & Publications Chemical Kinetic Research on...

  4. Direct Observation of Aggregative Nanoparticle Growth: Kinetic...

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

    Aggregative Nanoparticle Growth: Kinetic Modeling of the Size Distribution and Growth Rate. Direct Observation of Aggregative Nanoparticle Growth: Kinetic Modeling of the Size...

  5. Temperature Independent Physisorption Kinetics and Adsorbate...

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

    Temperature Independent Physisorption Kinetics and Adsorbate Layer Compression for Ar Adsorbed on Pt (111). Temperature Independent Physisorption Kinetics and Adsorbate Layer...

  6. thermodynamics kinetics | netl.doe.gov

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

    its kinetic behavior is more complex. Very little reliable kinetic information on coal gasification reactions exists, partly because it is highly depended on the process...

  7. Nonlinear effects in kinetic resolutions

    E-Print Network [OSTI]

    Johnson, Derrell W.

    1999-01-01T23:59:59.000Z

    KTRIC AMPLIFICATION IN THE JACOBSEN HYDROLYTIC KINET RESOLUTION OF RACEMIC EPOXIDES 20 Applicability of Homocompetitive Reaction Kinetics to the Jacobsen HKR Effect of Catalyst EE and Choice of Epoxide on Amplification in the Jacobsen HKR.... . . . . . . . . . . . . . . . . . Effect of Temperature on Amplification and Reaction Rate in the Jacobsen HKR . Effect of Low EE Catalyst Generation on Amplification in the Jacobsen HKR. . . . 21 21 25 26 27 30 31 TABLE OF CONTENTS (Continued) CHAPTER Page V AS...

  8. Kinetic models of opinion formation

    E-Print Network [OSTI]

    G. Toscani

    2006-05-17T23:59:59.000Z

    We introduce and discuss certain kinetic models of (continuous) opinion formation involving both exchange of opinion between individual agents and diffusion of information. We show conditions which ensure that the kinetic model reaches non trivial stationary states in case of lack of diffusion in correspondence of some opinion point. Analytical results are then obtained by considering a suitable asymptotic limit of the model yielding a Fokker-Planck equation for the distribution of opinion among individuals.

  9. E:\\PUBLAW\\PUBL058.109

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

    Grants to improve the commercial value of forest biomass for electric en- ergy, useful heat, transportation fuels, and other commercial purposes. Sec. 211. Sense of Congress...

  10. Harvesting nanoscale thermal radiation using pyroelectric materials

    E-Print Network [OSTI]

    Fang, Jin; Frederich, Hugo; Pilon, Laurent

    2010-01-01T23:59:59.000Z

    High-ef?ciency direct conversion of heat to electricaloffers a novel direct en- ergy conversion technology byDirect Pyroelectric Energy Converter Pyroelectric energy conversion

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

    E-Print Network [OSTI]

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

    2013-01-01T23:59:59.000Z

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

  12. 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

  13. Chemical kinetics and combustion modeling

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

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

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

    Desorption Kinetics of Methanol, Ethanol, and Water from Graphene. Desorption Kinetics of Methanol, Ethanol, and Water from Graphene. Abstract: The desorption kinetics of methanol,...

  15. Improving alternative fuel utilization: detailed kinetic combustion...

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

    Improving alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Salvador Aceves, Daniel Flowers, Bill Pitz, Charlie Westbrook, Emma Silke,...

  16. Kinetic Modeling and Thermodynamic Closure Approximation of ...

    E-Print Network [OSTI]

    2007-10-03T23:59:59.000Z

    Oct 5, 2007 ... Kinetic Modeling and Thermodynamic Closure. Approximation of Liquid Crystal Polymers. Haijun Yu. Program in Applied and Computational ...

  17. Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon...

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

    Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon Degradation. Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon Degradation. Abstract: Many...

  18. Challenges and Progress Toward a Commercial Kinetic Hydropower System

    E-Print Network [OSTI]

    Walter, M.Todd

    Challenges and Progress Toward a Commercial Kinetic Hydropower System for its kinetic hydropower devices, and has made precise measurements

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

    SciTech Connect (OSTI)

    Pennock, K.

    2012-10-01T23:59:59.000Z

    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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model,DOEHazel

  1. Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals

    E-Print Network [OSTI]

    I. P. Hamilton; Ricardo A. Mosna; L. Delle Site

    2007-04-08T23:59:59.000Z

    We employ a recently formulated dequantization procedure to obtain an exact expression for the kinetic energy which is applicable to all kinetic-energy functionals. We express the kinetic energy of an N-electron system as the sum of an N-electron classical kinetic energy and an N-electron purely quantum kinetic energy arising from the quantum fluctuations that turn the classical momentum into the quantum momentum. This leads to an interesting analogy with Nelson's stochastic approach to quantum mechanics, which we use to conceptually clarify the physical nature of part of the kinetic-energy functional in terms of statistical fluctuations and in direct correspondence with Fisher Information Theory. We show that the N-electron purely quantum kinetic energy can be written as the sum of the (one-electron) Weizsacker term and an (N-1)-electron kinetic correlation term. We further show that the Weizsacker term results from local fluctuations while the kinetic correlation term results from the nonlocal fluctuations. For one-electron orbitals (where kinetic correlation is neglected) we obtain an exact (albeit impractical) expression for the noninteracting kinetic energy as the sum of the classical kinetic energy and the Weizsacker term. The classical kinetic energy is seen to be explicitly dependent on the electron phase and this has implications for the development of accurate orbital-free kinetic-energy functionals. Also, there is a direct connection between the classical kinetic energy and the angular momentum and, across a row of the periodic table, the classical kinetic energy component of the noninteracting kinetic energy generally increases as Z increases.

  2. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluating A Potential MicrohydroDistrictInformationEau ClaireEcoEco Kinetics Jump

  3. Amber 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual Siteof Energy 2,AUDITCaliforniaWeifangwikiAgouraAlbatechFuels JumpKinetics Jump to:

  4. Kinetic bounding volume hierarchies for deformable objects

    E-Print Network [OSTI]

    Gabriel Zachmann; Tu Clausthal

    2006-01-01T23:59:59.000Z

    We present novel algorithms for updating bounding volume hierarchies of objects undergoing arbitrary deformations. Therefore, we introduce two new data structures, the kinetic AABB tree and the kinetic BoxTree. The event-based approach of the kinetic data structures framework enables us to show that our algorithms are optimal in the number of updates. Moreover, we show a lower bound for the total number of BV updates, which is independent of the number of frames. We used our kinetic bounding volume hierarchies for collision detection and performed a comparison with the classical bottomup update method. The results show that our algorithms perform up to ten times faster in practically relevant scenarios.

  5. Kinetics of the decomposition of tungsten hexacarbonyl

    SciTech Connect (OSTI)

    Podoprigora, V.I.; Baev, A.K.

    1987-07-20T23:59:59.000Z

    A differential-flow apparatus is devised for the study of the kinetics of the thermal decomposition of volatile metal carbonyls under quasi-stationary conditions. The applicability of the general kinetic approach to the investigation of the thermodecomposition of carbonyl compounds and of the analysis of the experimental data on the basis of specific thermodecomposition rates was proved. Well-founded kinetic characteristics were obtained for the first time for the thermodecomposition of tungsten carbonyl in the kinetic region and under quasi-stationary pyrolysis conditions.

  6. CLEERS Coordination & Development of Catalyst Process Kinetic...

    Broader source: Energy.gov (indexed) [DOE]

    2: ORNL Research on LNT Sulfation & Desulfation (8744, 8746) Jae-Soon Choi Oak Ridge National Laboratory CLEERS Coordination & Development of Catalyst Process Kinetic Data...

  7. The Fractional Kinetic Equation and Thermonuclear Functions

    E-Print Network [OSTI]

    H. J. Haubold; A. M. Mathai

    2000-01-16T23:59:59.000Z

    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.

  8. CLEERS Coordination & Development of Catalyst Process Kinetic...

    Energy Savers [EERE]

    CLEERS Coordination & Development of Catalyst Process Kinetic Data - Pres. 1: Coordination of CLEERS Project; Pres. 2: ORNL Research on LNT Sulfation & Desulfation CLEERS...

  9. Kinetics of actinide complexation reactions

    SciTech Connect (OSTI)

    Nash, K.L.; Sullivan, J.C.

    1997-09-01T23:59:59.000Z

    Though the literature records extensive compilations of the thermodynamics of actinide complexation reactions, the kinetics of complex formation and dissociation reactions of actinide ions in aqueous solutions have not been extensively investigated. In light of the central role played by such reactions in actinide process and environmental chemistry, this situation is somewhat surprising. The authors report herein a summary of what is known about actinide complexation kinetics. The systems include actinide ions in the four principal oxidation states (III, IV, V, and VI) and complex formation and dissociation rates with both simple and complex ligands. Most of the work reported was conducted in acidic media, but a few address reactions in neutral and alkaline solutions. Complex formation reactions tend in general to be rapid, accessible only to rapid-scan and equilibrium perturbation techniques. Complex dissociation reactions exhibit a wider range of rates and are generally more accessible using standard analytical methods. Literature results are described and correlated with the known properties of the individual ions.

  10. Combustion kinetics and reaction pathways

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  11. ADVANCES IN ENVIRONMENTAL REACTION KINETICS AND THERMODYNAMICS

    E-Print Network [OSTI]

    Sparks, Donald L.

    1262 ADVANCES IN ENVIRONMENTAL REACTION KINETICS AND THERMODYNAMICS: LONG-TERM FATE thermodynamic and kinetic data is available with regard to the formation of these mixed metal precipitate phases to six months from the initial addition of aqueous nickel. Additionally, we have determined thermodynamic

  12. Chemical kinetics and oil shale process design

    SciTech Connect (OSTI)

    Burnham, A.K.

    1993-07-01T23:59:59.000Z

    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.

  13. Kinetic advantage of controlled intermediate nuclear fusion

    SciTech Connect (OSTI)

    Guo Xiaoming [Physics and Computer Science Department, Wilfrid Laurier University, Waterloo, Ontario, N2L 3C5 (Canada)

    2012-09-26T23:59:59.000Z

    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.

  14. 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

    2014-03-18T23:59:59.000Z

    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.

  15. Extension of high-order harmonic generation cutoff via coherent control of intense few-cycle chirped laser pulses

    E-Print Network [OSTI]

    Carrera, Juan J.; Chu, Shih-I

    2007-03-16T23:59:59.000Z

    for larger dis- tances. #1;b#2; A second-order split-operator technique in the en- ergy representation, which allows the explicit elimination of undesirable fast-oscillating high-energy components, is used for the efficient time propagation of the wave... potential and the laser field. It then oscil- lates quasifreely driven by the Lorenz force and acquires kinetic energy from the laser field. Lastly, after the laser reverses its direction, the returning electron will emit har- monic photons by radiative...

  16. 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...

  17. 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...

  18. Transport-controlled kinetics of dissolution and precipitation...

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

    Transport-controlled kinetics of dissolution and precipitation in the sediments under alkaline and saline conditions . Transport-controlled kinetics of dissolution and...

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

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

    Uncertainty analysis of multi-rate kinetics of uranium desorption from sediments. Uncertainty analysis of multi-rate kinetics of uranium desorption from sediments. Abstract: A...

  20. Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl...

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

    Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation. Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation. Abstract: Molecular simulation techniques...

  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 Intercalation Kinetics and Ion Mobility in Electrode Materials for Advanced...

  2. Direct Visualization of Initial SEI Morphology and Growth Kinetics...

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

    Initial SEI Morphology and Growth Kinetics During Lithium Deposition by in situ Electrochemical Direct Visualization of Initial SEI Morphology and Growth Kinetics During Lithium...

  3. Design and operating characteristics of a transient kinetic analysis...

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

    operating characteristics of a transient kinetic analysis catalysis reactor system employing in situ transmission Design and operating characteristics of a transient kinetic...

  4. 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...

  5. Modeling of Reactor Kinetics and Dynamics

    SciTech Connect (OSTI)

    Matthew Johnson; Scott Lucas; Pavel Tsvetkov

    2010-09-01T23:59:59.000Z

    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.

  6. Kinetic limits of dynamical systems

    E-Print Network [OSTI]

    Jens Marklof

    2014-08-06T23:59:59.000Z

    Since the pioneering work of Maxwell and Boltzmann in the 1860s and 1870s, a major challenge in mathematical physics has been the derivation of macroscopic evolution equations from the fundamental microscopic laws of classical or quantum mechanics. Macroscopic transport equations lie at the heart of many important physical theories, including fluid dynamics, condensed matter theory and nuclear physics. The rigorous derivation of macroscopic transport equations is thus not only a conceptual exercise that establishes their consistency with the fundamental laws of physics: the possibility of finding deviations and corrections to classical evolution equations makes this subject both intellectually exciting and relevant in practical applications. The plan of these lectures is to develop a renormalisation technique that will allow us to derive transport equations for the kinetic limits of two classes of simple dynamical systems, the Lorentz gas and kicked Hamiltonians (or linked twist maps). The technique uses the ergodic theory of flows on homogeneous spaces (homogeneous flows for short), and is based on joint work with Andreas Str\\"ombergsson.

  7. Mechanistic studies using kinetic isotope effects

    E-Print Network [OSTI]

    Schulmeier, Brian E.

    1999-01-01T23:59:59.000Z

    Understanding reaction mechanisms is an important aspect of chemistry. A now convenient way to study reaction mechanisms is kinetic isotope effects at natural abundance. This technique circumvents the cumbersome methods of traditional isotope effect...

  8. Kinetic vs. energetic discrimination in biological copying

    E-Print Network [OSTI]

    Pablo Sartori; Simone Pigolotti

    2013-04-12T23:59:59.000Z

    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

  9. Kinetics of Anionic Surfactant Anoxic Degradation 

    E-Print Network [OSTI]

    Camacho, Julianna G.

    2010-07-14T23:59:59.000Z

    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 TC-42 (trademark...

  10. Kinetic decoupling of WIMPs: analytic expressions

    E-Print Network [OSTI]

    Visinelli, Luca

    2015-01-01T23:59:59.000Z

    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.

  11. B r y n S a d o w n i k , M a r k J a c c a r d Shaping Sustainable Energy Use in Chinese Cities

    E-Print Network [OSTI]

    , where the nature of energy use and urban spatial form are considerably dif- ferent. Per capita energy The Relevance of Community Energy Management A significant share of future urban en- ergy consumption- ergy consumption is predetermined when land-use and urban form are des- ignated. Patterns of urban form

  12. Computing realizations of reaction kinetic networks with given properties

    E-Print Network [OSTI]

    Gorban, Alexander N.

    chemical reactions, reaction kinetic systems are the main building blocks of highly interconnected´avid Csercsik, Katalin M. Hangos Process Control Research Group, Computer and Automation Research Institute}@scl.sztaki.hu Keywords: Applications: (bio)chemical kinetics, reaction kinetic systems, mass action kinet- ics

  13. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect (OSTI)

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

    2009-01-20T23:59:59.000Z

    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.

  14. Saffman-Taylor fingers with kinetic undercooling

    E-Print Network [OSTI]

    Gardiner, Bennett P J; Dallaston, Michael C; Moroney, Timothy J

    2015-01-01T23:59:59.000Z

    The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularisation on the interface is not provided by surface tension, but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalise high velocities and prevent blow-up of the unregularised solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this 'selection' of 1/2 by kinetic undercooling is qualitatively similar to the well-known analogue with surface tens...

  15. Neptunium Binding Kinetics with Arsenazo(III)

    SciTech Connect (OSTI)

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

    2014-08-01T23:59:59.000Z

    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.

  16. A simple theory of protein folding kinetics

    E-Print Network [OSTI]

    Pande, Vijay S

    2010-01-01T23:59:59.000Z

    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.

  17. Kinetic determination of selenium in biological material

    SciTech Connect (OSTI)

    Efremenko, O.A.; Krasnyuk, I.I.; Kudrin, A.N.; Rudenko, B.A.

    1986-05-10T23:59:59.000Z

    A very promising method for selenium determination is a kinetic analytical procedure that combines the simplicity and availability of physical instrumentation with a low analyte detection limit. This paper reports a modification of the method to enable the determination of selenium in rat blood and involves decomposing the sample with a mixture of nitric and perchloric acids, separation of the selenium (IV) from other decomposition products, and quantitatively determining selenium by the described kinetic method using the indicator reaction of iron (II) edetate oxidation by sodium nitrate.

  18. Model Independent Bounds on Kinetic Mixing

    SciTech Connect (OSTI)

    Hook, Anson; Izaguirre, Eder; Wacker, Jay G.; /SLAC

    2011-08-22T23:59:59.000Z

    New Abelian vector bosons can kinetically mix with the hypercharge gauge boson of the Standard Model. This letter computes the model independent limits on vector bosons with masses from 1 GeV to 1 TeV. The limits arise from the numerous e{sup +}e{sup -} experiments that have been performed in this energy range and bound the kinetic mixing by {epsilon} {approx}< 0.03 for most of the mass range studied, regardless of any additional interactions that the new vector boson may have.

  19. Kinetic studies of elementary chemical reactions

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  20. Slow Sorption Kinetics of Pentachlorophenol on Soil

    E-Print Network [OSTI]

    Sparks, Donald L.

    -term sorption kinetic data and a void in the understanding of the factors that control the slow sorption stage virtually unexplored. A complete understanding of the mechanisms that control the slow sorption of organic.1; cation exchange capacity (CEC), 5.02 cmol/kg; 1.7% organic matter (measured by incineration); 29.6% sand

  1. 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

  2. Interpreting the Aggregation Kinetics of Amyloid Peptides

    E-Print Network [OSTI]

    Caflisch, Amedeo

    Amyloid fibrils are insoluble mainly -sheet aggregates of proteins or peptides. The multi-step process) and amyloid-protected states, is used to investigate the kinetics of aggregation and the pathways of fibril state. The minimal-size aggregate able to form a fibril is generated by collisions of oligomers

  3. 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

  4. Thermodynamic and kinetic modeling of transcriptional pausing

    E-Print Network [OSTI]

    Chen, Kuang-Yu

    in the cotranscriptional RNA secondary structure upstream of the RNA exit channel. The calculations involve no adjustable of recovery of backtracked paused complexes. A crucial ingredient of our model is the incorporation of kinetic secondary structure, an aspect not included explicitly in previous attempts at modeling the transcrip- tion

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

    E-Print Network [OSTI]

    Lee, Won Jae

    2007-04-25T23:59:59.000Z

    and physicochemical criteria. The kinetic model yielded an excellent fit of the experimental data. The intrinsic kinetic parameters were used with the heterogeneous fixed bed reactor model which is explicitly accounting for the diffusional limitations inside...

  6. On the Geometrical Gyro-Kinetic Theory Emmanuel Frnod

    E-Print Network [OSTI]

    Boyer, Edmond

    On the Geometrical Gyro-Kinetic Theory Emmanuel Frénod Mathieu Lutz Abstract - Considering introduced : Partial Lie Sums. Keywords - Tokamak; Stellarator; Gyro-Kinetic Approximation; Hamiltonian.6 The Darboux Coordinates System . . . . . . . . . . . . . . . . . . . . . . . . 32 3.7 Expression

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

    E-Print Network [OSTI]

    Lee, Won Jae

    2007-04-25T23:59:59.000Z

    detailed kinetic model for coke formation and gasification, which was coupled to the kinetic model for the main reactions. The calculation of the dynamic equilibrium coke content provided a crucial guideline for the selection of the steam to ethylbenzene...

  8. Paper # XXX Topic: Reaction Kinetics Eastern State Fall Technical Meeting

    E-Print Network [OSTI]

    Knyazev, Vadim D.

    Paper # XXX Topic: Reaction Kinetics 1 Eastern State Fall Technical Meeting Chemical & Physical ­ 1017 s-1 #12;Paper # XXX Topic: Reaction Kinetics 2 and activation energy values close to the C-C bond

  9. Adsorption, Desorption, and Displacement Kinetics of H2O and...

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

    Displacement Kinetics of H2O and CO2 on TiO2(110). Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on TiO2(110). Abstract: The adsorption, desorption, and...

  10. Direct kinetic correlation of carriers and ferromagnetism in...

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

    kinetic correlation of carriers and ferromagnetism in Co2+ : ZnO. Direct kinetic correlation of carriers and ferromagnetism in Co2+ : ZnO. Abstract: We report the use of controlled...

  11. Products and Kinetics of the Reactions of an Alkane Monolayer...

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

    Products and Kinetics of the Reactions of an Alkane Monolayer and a Terminal Alkene Monolayer with NO Radicals. Products and Kinetics of the Reactions of an Alkane Monolayer and a...

  12. “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 ...

  13. 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...

  14. Chemical Kinetic Modeling of Hydrogen Combustion Limits

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K

    2008-04-02T23:59:59.000Z

    A detailed chemical kinetic model is used to explore the flammability and detonability of hydrogen mixtures. In the case of flammability, a detailed chemical kinetic mechanism for hydrogen is coupled to the CHEMKIN Premix code to compute premixed, laminar flame speeds. The detailed chemical kinetic model reproduces flame speeds in the literature over a range of equivalence ratios, pressures and reactant temperatures. A series of calculation were performed to assess the key parameters determining the flammability of hydrogen mixtures. Increased reactant temperature was found to greatly increase the flame speed and the flammability of the mixture. The effect of added diluents was assessed. Addition of water and carbon dioxide were found to reduce the flame speed and thus the flammability of a hydrogen mixture approximately equally well and much more than the addition of nitrogen. The detailed chemical kinetic model was used to explore the detonability of hydrogen mixtures. A Zeldovich-von Neumann-Doring (ZND) detonation model coupled with detailed chemical kinetics was used to model the detonation. The effectiveness on different diluents was assessed in reducing the detonability of a hydrogen mixture. Carbon dioxide was found to be most effective in reducing the detonability followed by water and nitrogen. The chemical action of chemical inhibitors on reducing the flammability of hydrogen mixtures is discussed. Bromine and organophosphorus inhibitors act through catalytic cycles that recombine H and OH radicals in the flame. The reduction in H and OH radicals reduces chain branching in the flame through the H + O{sub 2} = OH + O chain branching reaction. The reduction in chain branching and radical production reduces the flame speed and thus the flammability of the hydrogen mixture.

  15. AER1301: KINETIC THEORY OF GASES Assignment #4

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    - equilibrium cases, up to second order. (b) Derive an expression for the non-conservative form of the kineticAER1301: KINETIC THEORY OF GASES Assignment #4 1. Consider a monatomic gas with one translational by the relaxation time approx- imation. Neglecting external forces, the conserved form of the kinetic equation

  16. Kinetic modelling of the thermal decomposition of ettringite into metaettringite

    E-Print Network [OSTI]

    Boyer, Edmond

    the validity of kinetic assumptions (rate-determining step, expression of the rate as d/dt = k f() ...), a good1 Kinetic modelling of the thermal decomposition of ettringite into metaettringite J. Pourchez on nucleation and growth mechanisms of metaettringite remained. Therefore, a better understanding of the kinetic

  17. 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

  18. Adsorption Kinetics of Surfactants at Fluid-Fluid Interfaces

    E-Print Network [OSTI]

    Andelman, David

    Adsorption Kinetics of Surfactants at Fluid-Fluid Interfaces Haim Diamant and David Andelman School-Fluid Interfaces, Adsorption, Adsorption Kinetics, Interfacial Tension. 1 #12;Abstract We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete

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

    E-Print Network [OSTI]

    Watkins, Joseph C.

    Michaelis-Menten Kinetics Worldwide Oil Production Example. The modern history of petroleum began in the 19Worldwide 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

  20. The Inverse Kinetics Method and PID Compensation of the

    E-Print Network [OSTI]

    The Inverse Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin Garnas ABSTRACT Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin Garnas B.S. General

  1. Kinetic and Macroscopic Models for Semiconductors Ansgar Jungel

    E-Print Network [OSTI]

    Jüngel, Ansgar

    Kinetic and Macroscopic Models for Semiconductors Ansgar J¨ungel Vienna University of Technology, Austria www.jungel.at.vu Ansgar J¨ungel (TU Wien) Kinetic Semiconductor Models www.jungel.at.vu 1 / 165 #12;Contents 1 Introduction 2 Semiconductor modeling Basics of semiconductor physics Kinetic models 3

  2. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    Sircar, S

    2015-01-01T23:59:59.000Z

    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...

  3. Niobium Silicon alloys for Kinetic Inductance Detectors

    E-Print Network [OSTI]

    Calvo, M; Monfardini, A; Benoit, A; Boudou, N; Bourrion, O; Catalano, A; Dumoulin, L; Goupy, J; Sueur, H Le; Marnieros, S

    2013-01-01T23:59:59.000Z

    We are studying the properties of Niobium Silicon amorphous alloys as a candidate material for the fabrication of highly sensitive Kinetic Inductance Detectors (KID), optimized for very low optical loads. As in the case of other composite materials, the NbSi properties can be changed by varying the relative amounts of its components. Using a NbSi film with T_c around 1 K we have been able to obtain the first NbSi resonators, observe an optical response and acquire a spectrum in the band 50 to 300 GHz. The data taken show that this material has very high kinetic inductance and normal state surface resistivity. These properties are ideal for the development of KID. More measurements are planned to further characterize the NbSi alloy and fully investigate its potential.

  4. A New Spin on Neutrino Quantum Kinetics

    E-Print Network [OSTI]

    Vincenzo Cirigliano; George M. Fuller; Alexey Vlasenko

    2014-06-20T23:59:59.000Z

    We present and discuss the quantum kinetic equations (QKEs) which govern neutrino flavor and spin evolution in hot, dense, and anisotropic media. A novel feature of these QKEs is the presence of a coherent spin-flip term which can mediate neutrino-antineutrino transformation for Majorana neutrinos and active-sterile transformation for Dirac neutrinos. We provide an alternative derivation of this term based on a standard effective Hamiltonian.

  5. Kinetic regulation of coated vesicle secretion

    E-Print Network [OSTI]

    Lionel Foret; Pierre Sens

    2008-07-28T23:59:59.000Z

    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.

  6. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    Howes, G G

    2007-01-01T23:59:59.000Z

    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...

  7. Kinetics and morphology of erbium silicide formation

    SciTech Connect (OSTI)

    Knapp, J.A.; Picraux, S.T.; Wu, C.S.; Lau, S.S.

    1985-11-15T23:59:59.000Z

    The growth kinetics and surface morphology of erbium silicide formation from Er layers on Si(100) substrates are examined using both fast e-beam annealing and furnace annealing. Very smooth erbium silicide layers have been grown using a line-source e beam to heat and react the Er overlayers with the substrate. This contrasts to the severe pitting observed when Er layers are reacted with Si in conventional furnace annealing. The pitting phenomenon can be explained by a thin contaminant layer at the interface between Er and Si. Our results suggest the contamination barrier is not due to oxygen, as usually assumed, but may be related to the presence of carbon. Rapid e-beam heating to reaction temperatures of approx.1200 K permits dispersion of the barrier layer before substantial silicide growth can occur, allowing smooth silicide growth. Heating to shorter times to just disperse the interface barrier allows uniform layer growth by subsequent furnace annealing and has permitted measurement of the kinetics of erbium silicide formation on crystalline Si. The reaction obeys (time)/sup 1//sup ///sup 2/ kinetics but is shown to be not totally diffusion limited by the ability to sustain multiple interface growth from a single Si source. The growth rates are nearly an order of magnitude slower for the Er/Si(100) interface than for the Er/amorphous-Si, but with a similar activation energy near 1.75 eV in both cases.

  8. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    G. G. Howes

    2007-11-27T23:59:59.000Z

    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.

  9. 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

  10. Legislative Developments in Solar Energy during 1980

    E-Print Network [OSTI]

    Krueger, Robert B.; Hoffman, Peter C.

    1981-01-01T23:59:59.000Z

    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

  11. Impacts of Wind Turbine Proximity on Property Values in Massachusetts

    E-Print Network [OSTI]

    Atkinson-Palombo, Carol

    2014-01-01T23:59:59.000Z

    Devine-Wright, P. (2012) Renewable Energy and the Public:EU. (2012) European Commission Renewable En- ergy Targets byU.S. Great Plains. Renewable & Sustainable Energy Reviews.

  12. Abstract --Our approach to laboratory education in power electronics and electric machines is presented. The approach

    E-Print Network [OSTI]

    Kimball, Jonathan W.

    1 Abstract --Our approach to laboratory education in power electronics and electric machines -- Power engineering education, education, en- ergy conversion, educational technology I. INTRODUCTION Power electronics and electric machines are largely appli- cation driven but draws from a broad

  13. PARK ET AL. VOL. XXX ' NO. XX ' 000000 ' XXXX www.acsnano.org

    E-Print Network [OSTI]

    -cleaning,9À13 water harvesting,6 and antireflective14À18 capabilities of functional surfaces found in nature engineering applications such as en- ergy harvesting and operation of optical instrumentation in extreme

  14. 622 IEEE JOURNAL OF SOLID-STATE CIRCUITS, VOL. 49, NO. 3, MARCH 2014 Co-Design of a CMOS Rectifier and Small Loop

    E-Print Network [OSTI]

    Serdijn, Wouter A.

    . Subsequently, a 5-stage cross-connected differential rectifier with a 7-bit binary-weighted capacitor bank (EM) en- ergy into electrical DC power. This DC power is locally stored in a capacitor or battery

  15. air-breathing pem fuel: Topics by E-print Network

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

    solution against environment and en- ergy Paris-Sud XI, Universit de 100 Solar-Hydrogen Fuel-Cell Vehicles University of California eScholarship Repository Summary: is ter...

  16. applications pem fuel: Topics by E-print Network

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

    solution against environment and en- ergy Paris-Sud XI, Universit de 99 Solar-Hydrogen Fuel-Cell Vehicles University of California eScholarship Repository Summary: is ter...

  17. Dynamical mechanism for non-locality in dense granular flows Mehdi Bouzid, Martin Trulsson, Philippe Claudin, Eric Clement, and Bruno Andreotti

    E-Print Network [OSTI]

    Claudin, Philippe

    [2], free en- ergy for foams or emulsions (surface tension) as well as for soft elastomeric particles transition is accordingly named colloidal glass transition, elasto-plastic depinning tran- sition and jamming

  18. Kinetic Bounding Volume Hierarchies for Collision Detection of Deformable Objects

    E-Print Network [OSTI]

    Gabriel Zachmann; Rene Weller

    2006-01-01T23:59:59.000Z

    We present novel algorithms for updating bounding volume hierarchies of objects undergoing arbitrary deformations. Therefore, we introduce two new data structures, the kinetic AABB tree and the kinetic BoxTree. The event-based approach of the kinetic data structures framework enables us to show that our algorithms are optimal in the number of updates. Moreover, we show a lower bound for the total number of BV updates, which is independent of the number of frames. Furthermore, we present a kinetic data structures which uses the kinetic AABB tree for collision detection and show that this structure can be easily extended for continuous collision detection of deformable objects. We performed a comparison of our kinetic approaches with the classical bottom-up update method. The results show that our algorithms perform up to ten times faster in practically relevant scenarios.

  19. A New Spin on Neutrino Quantum Kinetics

    E-Print Network [OSTI]

    Vincenzo Cirigliano; George M. Fuller; Alexey Vlasenko

    2015-05-05T23:59:59.000Z

    Recent studies have demonstrated that in anisotropic environments a coherent spin-flip term arises in the Quantum Kinetic Equations (QKEs) which govern the evolution of neutrino flavor and spin in hot and dense media. This term can mediate neutrino-antineutrino transformation for Majorana neutrinos and active-sterile transformation for Dirac neutrinos. We discuss the physical origin of the coherent spin-flip term and provide explicit expressions for the QKEs in a two-flavor model with spherical geometry. In this context, we demonstrate that coherent neutrino spin transformation depends on the absolute neutrino mass and Majorana phases.

  20. Benchmarks for the point kinetics equations

    SciTech Connect (OSTI)

    Ganapol, B. [Department of Aerospace and Mechanical Engineering (United States); Picca, P. [Department of Systems and Industrial Engineering, University of Arizona (United States); Previti, A.; Mostacci, D. [Laboratorio di Montecuccolino Alma Mater Studiorum, Universita di Bologna (Italy)

    2013-07-01T23:59:59.000Z

    A new numerical algorithm is presented for the solution to the point kinetics equations (PKEs), whose accurate solution has been sought for over 60 years. The method couples the simplest of finite difference methods, a backward Euler, with Richardsons extrapolation, also called an acceleration. From this coupling, a series of benchmarks have emerged. These include cases from the literature as well as several new ones. The novelty of this presentation lies in the breadth of reactivity insertions considered, covering both prescribed and feedback reactivities, and the extreme 8- to 9- digit accuracy achievable. The benchmarks presented are to provide guidance to those who wish to develop further numerical improvements. (authors)

  1. 5, 1036910408, 2005 Products and kinetics

    E-Print Network [OSTI]

    Boyer, Edmond

    and Physics Discussions The heterogeneous chemical kinetics of N2O5 on CaCO3 and other atmospheric mineral. At [N2O5]0=(4.0±1.0)×10 11 cm -3 we have found ss values ranging from (3.5±1.1)×10 -2 for CaCO3 to (0 and CaCO3 are lower. On CaCO3 the disappearance10 of N2O5 was also accompanied by the formation of CO2

  2. Studies of combustion kinetics and mechanisms

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  3. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management FermiDavidDiesel pricesDiesel28, 2007,DiracDirect Kinetic

  4. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: PotentialFederal Financial InterventionsDirectDirect Kinetic

  5. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: PotentialFederal FinancialDirect Kinetic Measurements of a

  6. Chemical Kinetic Modeling of Non-Petroleum Based Fuels

    Broader source: Energy.gov (indexed) [DOE]

    kinetic models for fuel components and their mixtures are a critical need to enable optimization of fuel formulations for high engine efficiency and very low emissions Targets:...

  7. Geothermal: Sponsored by OSTI -- The solubility and kinetics...

    Office of Scientific and Technical Information (OSTI)

    The solubility and kinetics of minerals under CO2-EGS geothermal conditions: Comparison of experimental and modeling results Geothermal Technologies Legacy Collection HelpFAQ |...

  8. air plasma kinetics: Topics by E-print Network

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

    explains the kinetic mechanism of nonequilibrium plasma-chemical transformations in the gas-liquid system and the evolution of hydrogen during the reforming as a function of...

  9. Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro...

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

    Publications Intercalation Kinetics and Ion Mobility in Electrode Materials for Advanced Lithium Ion Batteries Materials Characterization Capabilities at the High Temperature...

  10. agonist dissociation kinetics: Topics by E-print Network

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

    Websites Summary: supposes that the transition states for dissociation coincide with the free energy maximum along rionKinetic Pathways of Ion Pair Dissociation in Water Phillip...

  11. average kinetic energy: Topics by E-print Network

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

    energy by kinetic averaging Pierre-Emmanuel Jabin Ecole Normale Sup-Landau energy for two dimensional divergence free fields ap- pearing in the gradient theory of...

  12. Chemical Kinetic Modeling of Non-Petroleum Based Fuels

    Broader source: Energy.gov (indexed) [DOE]

    FY11 Objectives: * Develop a chemical kinetic models for an actual components in biodiesel Methyl palmitate Methyl linoleate Methyl linolenate * Develop a chemical...

  13. Kinetics, Mechanics and Microstructure Changes in Storage Media...

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

    the Kinetics, Mechanics and Microstructure Changes in Storage Media given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006. storagetheorysessionei...

  14. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    S. Sircar; A. J. Roberts

    2015-01-20T23:59:59.000Z

    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.

  15. Non-Markovian polymer reaction kinetics

    E-Print Network [OSTI]

    Thomas Guérin; Olivier Bénichou; Raphaël Voituriez

    2012-09-07T23:59:59.000Z

    Describing the kinetics of polymer reactions, such as the formation of loops and hairpins in nucleic acids or polypeptides, is complicated by the structural dynamics of their chains. Although both intramolecular reactions, such as cyclization, and intermolecular reactions have been studied extensively, both experimentally and theoretically, there is to date no exact explicit analytical treatment of transport-limited polymer reaction kinetics, even in the case of the simplest (Rouse) model of monomers connected by linear springs. We introduce a new analytical approach to calculate the mean reaction time of polymer reactions that encompasses the non-Markovian dynamics of monomer motion. This requires that the conformational statistics of the polymer at the very instant of reaction be determined, which provides, as a by-product, new information on the reaction path. We show that the typical reactive conformation of the polymer is more extended than the equilibrium conformation, which leads to reaction times significantly shorter than predicted by the existing classical Markovian theory.

  16. Actuar en asociacin Asociaciones en el mundo

    E-Print Network [OSTI]

    las contaminaciones por metales en los Andes, en Bolivia · Taller sobre la variabilidad de El Niño y

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

    E-Print Network [OSTI]

    Xu, T.

    2014-01-01T23:59:59.000Z

    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

  18. AER1301: KINETIC THEORY OF GASES Assignment #4

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    AER1301: KINETIC THEORY OF GASES Assignment #4 1. Consider a monatomic gas with one translational by the relaxation time approx- imation. Neglecting external forces, the conserved form of the kinetic equation function, in both the equilibrium and non- equilibrium cases, up to second order. (b) Derive an expression

  19. Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle

    E-Print Network [OSTI]

    Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle Self-Assembly Chinmay Soman1 is an important phenomenon in many biological systems. Assembly of virus coat proteins into capsids [1 diseases. This approach to studying the kinetics of nanoparticle self-assembly may also provide a valuable

  20. Parametric and Kinetic Minimum Spanning Trees Pankaj K. Agarwal 1

    E-Print Network [OSTI]

    Eppstein, David

    Parametric and Kinetic Minimum Spanning Trees Pankaj K. Agarwal 1 David Eppstein 2 Leonidas J. Guibas 3 Monika R. Henzinger 4 Abstract We consider the parametric minimum spanning tree problem- pute the sequence of minimum spanning trees generated as varies. We also consider the kinetic minimum

  1. Rotational and divergent kinetic energy in the mesoscale model ALADIN

    E-Print Network [OSTI]

    Zagar, Nedjeljka

    energy, divergent energy, ALADIN, limited-area modelling 1. Introduction Horizontal divergenceRotational and divergent kinetic energy in the mesoscale model ALADIN By V. BLAZ ICA1 *, N. Z AGAR1 received 7 June 2012; in final form 7 March 2013) ABSTRACT Kinetic energy spectra from the mesoscale

  2. Kinetic Modeling of Non-thermal Escape: Planets and Exoplanets

    E-Print Network [OSTI]

    Johnson, Robert E.

    Kinetic Modeling of Non-thermal Escape: Planets and Exoplanets Valery I. Shematovich Institute of Astronomy, Russian Academy of Sciences Modeling Atmospheric Escape Workshop - Spring 2012 University are populated by the atoms and molecules with both thermal and suprathermal kinetic energies (Johnson et al

  3. Desorption Kinetics for Field-Aged Polycyclic Aromatic Hydrocarbons

    E-Print Network [OSTI]

    Rockne, Karl J.

    Harbor Estuary. Desorption kinetics for PAHs with a log octanol- water partition coefficient greater than This study considers desorption kinetics for 12 field-aged polycyclic aromatic hydrocarbons (PAHs) desorbing 6 were well- described by a one-domain diffusion model that assumes that PAHs are initially

  4. Kinetic study of hydrogen sulfide absorption in aqueous chlorine solution

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    rate. To design, optimize and scale-up scrubbers, knowledge of the reaction kinetics and mechanism-1 s-1 ). Keywords Hydrogen sulfide, chlorine, kinetics, mass transfer, absorption, scrubber located at the bottom of the scrubber and is recirculated. pH and chlorine concentration are regulated

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

    E-Print Network [OSTI]

    T. Mei

    2007-11-02T23:59:59.000Z

    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.

  6. The DNA binding activity of p53 displays reactiondiffusion kinetics

    E-Print Network [OSTI]

    Hinow, Peter

    The DNA binding activity of p53 displays reaction­diffusion kinetics 26th Southeastern 37240 The DNA binding activity of p53 displays reaction­diffusion kinetics ­ p. 1/2 #12;Collaborators, Vanderbilt University · Emmanuele DiBenedetto, PhD, Department of Mathematics, Vanderbilt University The DNA

  7. Detailed chemical kinetic oxidation mechanism for a biodiesel Olivier Herbineta

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate Olivier Herbineta , William of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO2 production from

  8. 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)

    2014-04-15T23:59:59.000Z

    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.

  9. Kinetic Gravity Braiding and axion inflation

    E-Print Network [OSTI]

    Debaprasad Maity

    2013-03-11T23:59:59.000Z

    We constructed a new class of inflationary model with the higher derivative axion field which obeys constant shift symmetry. In the usual axion (natural) inflation, the axion decay constant is predicted to be in the super-Planckian regime which is believed to be incompatible with an effective field theory framework. With a novel mechanism originating from a higher derivative kinetic gravity braiding (KGB) of an axion field we found that there exist a huge parameter regime in our model where axion decay constant could be naturally sub-Planckian. Thanks to the KGB which effectively reduces the Planck constant. This effectively reduced Planck scale provides us the mechanism of further lowering down the speed of an axion field rolling down its potential without introducing super-Planckian axion decay constant. We also find that with that wide range of parameter values, our model induces almost scale invariant power spectrum as observed in CMB experiments.

  10. Active Polymers Confer Fast Reorganization Kinetics

    E-Print Network [OSTI]

    Douglas Swanson; Ned S. Wingreen

    2011-10-02T23:59:59.000Z

    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

  11. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    SciTech Connect (OSTI)

    Nesbitt, David J. [Research/Professor

    2013-08-06T23:59:59.000Z

    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.

  12. A Kinetic Theory Approach to Quantum Gravity

    E-Print Network [OSTI]

    B. L. Hu

    2002-04-22T23:59:59.000Z

    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).

  13. Gravitationally Induced Particle Production: Thermodynamics and Kinetic Theory

    E-Print Network [OSTI]

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

    2014-11-24T23:59:59.000Z

    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 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.

  14. Geometric dynamics of Vlasov kinetic theory and its moments

    E-Print Network [OSTI]

    Tronci, Cesare

    2008-01-01T23:59:59.000Z

    The Vlasov equation of kinetic theory is introduced and the Hamiltonian structure of its moments is presented. Then we focus on the geodesic evolution of the Vlasov moments. As a first step, these moment equations generalize the Camassa-Holm equation to its multi-component version. Subsequently, adding electrostatic forces to the geodesic moment equations relates them to the Benney equations and to the equations for beam dynamics in particle accelerators. Next, we develop a kinetic theory for self assembly in nano-particles. Darcy's law is introduced as a general principle for aggregation dynamics in friction dominated systems (at different scales). Then, a kinetic equation is introduced for the dissipative motion of isotropic nano-particles. The zeroth-moment dynamics of this equation recovers the classical Darcy's law at the macroscopic level. A kinetic-theory description for oriented nano-particles is also presented. At the macroscopic level, the zeroth moments of this kinetic equation recover the magnetiz...

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

    E-Print Network [OSTI]

    T. Mei

    2009-03-30T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Schmidt, A.; Link, A.; Tang, V.; Halvorson, C.; May, M. [Lawrence Livermore National Laboratory, Livermore California 94550 (United States); Welch, D. [Voss Scientific, LLC, Albuquerque, New Mexico 87108 (United States); Meehan, B. T.; Hagen, E. C. [National Security Technologies, LLC, Las Vegas, Nevada 89030 (United States)

    2014-10-15T23:59:59.000Z

    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.

  17. The Kinetic Engineering of Autonomous DNA-Based Robots and Computing

    E-Print Network [OSTI]

    Reif, John H.

    of gene expression · autonomous universal computers. #12;"Autonomous Kinetic Engineering" of IrreversibleThe Kinetic Engineering of Autonomous DNA-Based Robots and Computing Machines John H. Reif Kinetic Engineering" techniques in: · recombinant DNA, · nano-engineering, and · molecular computing

  18. A Kinetic-Fluid Model C. Z. Cheng and Jay R. Johnson

    E-Print Network [OSTI]

    A Kinetic-Fluid Model C. Z. Cheng and Jay R. Johnson Princeton University, Plasma Physics developed a kinetic-MHD model [Cheng, 1991] to study particle kinetic eects on MHD phenomena by taking

  19. A KineticFluid Model C. Z. Cheng and Jay R. Johnson

    E-Print Network [OSTI]

    A Kinetic­Fluid Model C. Z. Cheng and Jay R. Johnson Princeton University, Plasma Physics have previously developed a kinetic­MHD model [Cheng, 1991] to study particle kinetic effects on MHD

  20. Surface kinetic model for isotopic and trace element fractionation during precipitation of calcite from aqueous solution

    E-Print Network [OSTI]

    DePaolo, D.

    2011-01-01T23:59:59.000Z

    form of the kinetic  r ate expression (e.g.  equations 2); in  these  expressions  are  the  two  kinetic  isotopic 

  1. E-Print Network 3.0 - accelerated search kinetics Sample Search...

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

    dependence of the elongation kinetics. Marked acceleration... to the slowing of protein folding kinetics by other denaturants (28) and the acceleration of folding by TFE (26......

  2. Effect of Grain Size on Uranium(VI) Surface Complexation Kinetics...

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

    Grain Size on Uranium(VI) Surface Complexation Kinetics and Adsorption Additivity. Effect of Grain Size on Uranium(VI) Surface Complexation Kinetics and Adsorption Additivity....

  3. HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

    SciTech Connect (OSTI)

    Stefano Orsino

    2005-03-30T23:59:59.000Z

    As part of the U.S. Department of Energy (DoE) initiative to improve the efficiency of coal-fired power plants and reduce the pollution generated by these facilities, DOE has funded the High-Pressure Coal Combustion Kinetics (HPCCK) Projects. A series of laboratory experiments were conducted on selected pulverized coals at elevated pressures with the specific goals to provide new data for pressurized coal combustion that will help extend to high pressure and validate models for burnout, pollutant formation, and generate samples of solid combustion products for analyses to fill crucial gaps in knowledge of char morphology and fly ash formation. Two series of high-pressure coal combustion experiments were performed using SRI's pressurized radiant coal flow reactor. The first series of tests characterized the near burner flame zone (NBFZ). Three coals were tested, two high volatile bituminous (Pittsburgh No.8 and Illinois No.6), and one sub-bituminous (Powder River Basin), at pressures of 1, 2, and 3 MPa (10, 20, and 30 atm). The second series of experiments, which covered high-pressure burnout (HPBO) conditions, utilized a range of substantially longer combustion residence times to produce char burnout levels from 50% to 100%. The same three coals were tested at 1, 2, and 3 MPa, as well as at 0.2 MPa. Tests were also conducted on Pittsburgh No.8 coal in CO2 entrainment gas at 0.2, 1, and 2 MPa to begin establishing a database of experiments relevant to carbon sequestration techniques. The HPBO test series included use of an impactor-type particle sampler to measure the particle size distribution of fly ash produced under complete burnout conditions. The collected data have been interpreted with the help of CFD and detailed kinetics simulation to extend and validate devolatilization, char combustion and pollutant model at elevated pressure. A global NOX production sub-model has been proposed. The submodel reproduces the performance of the detailed chemical reaction mechanism for the NBFZ tests.

  4. Evidence of critical balance in kinetic Alfven wave turbulence simulations

    SciTech Connect (OSTI)

    TenBarge, J. M.; Howes, G. G. [Department of Physics and Astronomy, University of Iowa, Iowa City, Iowa 52242 (United States)

    2012-05-15T23:59:59.000Z

    A numerical simulation of kinetic plasma turbulence is performed to assess the applicability of critical balance to kinetic, dissipation scale turbulence. The analysis is performed in the frequency domain to obviate complications inherent in performing a local analysis of turbulence. A theoretical model of dissipation scale critical balance is constructed and compared to simulation results, and excellent agreement is found. This result constitutes the first evidence of critical balance in a kinetic turbulence simulation and provides evidence of an anisotropic turbulence cascade extending into the dissipation range. We also perform an Eulerian frequency analysis of the simulation data and compare it to the results of a previous study of magnetohydrodynamic turbulence simulations.

  5. Kinetics of the reactions of hydrogen fluoride with calcium oxide

    SciTech Connect (OSTI)

    Kossaya, A.M.; Belyakov, B.P.; Kuchma, Z.V.; Sandrozd, M.K.; Vasil'eva, V.G.

    1986-08-01T23:59:59.000Z

    This paper studies the kinetics of interaction of gaseous hydrogen fluoride with calcium oxide at temperatures 300-700 degrees. The experiments were conducted in a laboratory adsorption apparatus modified and adapted for work with corrosive hydrogen fluoride. Calcium oxide samples in granulated form and deposited on gamma-alumina were used in the experiments. Kinetic curves representing variations of the degree of conversion of the solid samples with time are shown. The influence of retardation dure to diffusion was observed in the experiments. The influence of diffusion control on the reaction rate was also observed in a study of the reaction kinetics on supported layers of calcium oxide.

  6. Kinetic Alfv\\'{e}n solitary and rogue waves in superthermal plasmas

    E-Print Network [OSTI]

    Bains, A; Xia, L -D

    2014-01-01T23:59:59.000Z

    We investigate the small but finite amplitude solitary Kinetic Alfv\\'{e}n waves (KAWs) in low $\\beta$ plasmas with superthermal electrons modeled by a kappa-type distribution. A nonlinear Korteweg-de Vries (KdV) equation describing the evolution of KAWs is derived by using the standard reductive perturbation method. Examining the dependence of the nonlinear and dispersion coefficients of the KdV equation on the superthermal parameter $\\kappa$, plasma $\\beta$ and obliqueness of propagation, we show that these parameters may change substantially the shape and size of solitary KAW pulses. Only sub-Alfv\\'enic, compressive solitons are supported. We then extend the study to examine kinetic Alfv\\'en rogue waves by deriving a nonlinear Schr\\"{o}dinger equation from {the KdV} equation. Rational solutions that form rogue wave envelopes are obtained. We examine how the behavior of rogue waves depends on the plasma parameters in question, finding that the rogue envelopes are lowered with increasing electron superthermal...

  7. Simulating galactic outflows with kinetic supernova feedback

    E-Print Network [OSTI]

    Claudio Dalla Vecchia; Joop Schaye

    2008-05-07T23:59:59.000Z

    Feedback from star formation is thought to play a key role in the formation and evolution of galaxies, but its implementation in cosmological simulations is currently hampered by a lack of numerical resolution. We present and test a sub-grid recipe to model feedback from massive stars in cosmological smoothed particle hydrodynamics simulations. The energy is distributed in kinetic form among the gas particles surrounding recently formed stars. The impact of the feedback is studied using a suite of high-resolution simulations of isolated disc galaxies embedded in dark halos with total mass 10^{10} and 10^{12} Msol/h. We focus in particular on the effect of pressure forces on wind particles within the disc, which we turn off temporarily in some of our runs to mimic a recipe that has been widely used in the literature. We find that this popular recipe gives dramatically different results because (ram) pressure forces on expanding superbubbles determine both the structure of the disc and the development of large-scale outflows. Pressure forces exerted by expanding superbubbles puff up the disc, giving the dwarf galaxy an irregular morphology and creating a galactic fountain in the massive galaxy. Hydrodynamic drag within the disc results in a strong increase of the effective mass loading of the wind for the dwarf galaxy, but quenches much of the outflow in the case of the high-mass galaxy.

  8. Kinetics of coal pyrolysis and devolatilization

    SciTech Connect (OSTI)

    Not Available

    1986-01-01T23:59:59.000Z

    Research continued on coal devolatilization. Results are presented for rapid devolatilization experiments performed with the 20 -- 30 micron size cut of the reference coal - PSOC 1451D - a high volatile bituminous, Appalachian Province coal. In agreement with behavior observed in rapid, radiant transient heating experiments -flash lamp - and moderate heating rate - heated grid - experiments for the same coal, the devolatilization process is observed to occur in four distinct phases: intraparticle heavy hydrocarbon detachment and transport; heavy hydrocarbon desorption; low temperature reformation reactions producing light gases; high temperature secondary reactions of tars and char degassing. Mass fraction yields light fast yields and tar and char characteristics are presented for a range of reactor temperatures which support the phenomenological picture. A phenomenological model is presented which indicates the distinct phases of devolatilization and the importance of heat transfer conditions on both the overall rate of particle mass loss and the observable volatiles product distribution. The approach taken to model heat transfer conditions in each of the devolatilization reactors employed in the overall investigation is outlined. Predicted weight loss results are shown for three different sets of overall devolatilization kinetic parameters given heat transfer conditions in the UTRC Hot Wall - Hot Gas reactor. 47 figs., 1 tab.

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

    SciTech Connect (OSTI)

    Turchi, P; Kaufman, L; Liu, Z

    2006-06-30T23:59:59.000Z

    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.

  10. ash kinetics mechanism: Topics by E-print Network

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

    close. Such an event we call a collision, and in a collision there is exchange of energy proportional to the average kinetic energy of a molecule. It is very satisfactory that...

  11. The Icarus Machine : a kinetic sculpture that demonstrates gyroscopic precision

    E-Print Network [OSTI]

    Nichols, Laura E

    2005-01-01T23:59:59.000Z

    Inspired by the desire to unite aspects of art and engineering into a comprehensive whole, I have designed and manufactured a kinetic sculpture that demonstrates gyroscopic precession. The aim of this project is to explore ...

  12. Ducted kinetic Alfven waves in plasma with steep density gradients

    SciTech Connect (OSTI)

    Houshmandyar, Saeid [Solar Observatory Department, Prairie View A and M University, Prairie View, Texas 77446 (United States); Department of Physics, West Virginia University, Morgantown, West Virginia 26506-6315 (United States); Scime, Earl E. [Department of Physics, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

    2011-11-15T23:59:59.000Z

    Given their high plasma density (n {approx} 10{sup 13} cm{sup -3}), it is theoretically possible to excite Alfven waves in a conventional, moderate length (L {approx} 2 m) helicon plasma source. However, helicon plasmas are decidedly inhomogeneous, having a steep radial density gradient, and typically have a significant background neutral pressure. The inhomogeneity introduces regions of kinetic and inertial Alfven wave propagation. Ion-neutral and electron-neutral collisions alter the Alfven wave dispersion characteristics. Here, we present the measurements of propagating kinetic Alfven waves in helium helicon plasma. The measured wave dispersion is well fit with a kinetic model that includes the effects of ion-neutral damping and that assumes the high density plasma core defines the radial extent of the wave propagation region. The measured wave amplitude versus plasma radius is consistent with the pile up of wave magnetic energy at the boundary between the kinetic and inertial regime regions.

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

    E-Print Network [OSTI]

    Suh, Inseon

    2000-01-01T23:59:59.000Z

    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...

  14. Mechanistic kinetic modeling of the hydrocracking of complex feedstocks

    E-Print Network [OSTI]

    Kumar, Hans

    2009-05-15T23:59:59.000Z

    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...

  15. RIS-M-2216 CHEMICAL KINETICS IN THE GAS PHASE

    E-Print Network [OSTI]

    KINETICS, EXPERIMENTAL DATA, GASES, HYDROGEN SULFIDES, PULSED IRRADIATION, RADIATION CHEMISTRY, RADIOLYSIS is subjected to high energy radiation (e.g. a- particles, Y-radiation or fast electrons), the primary products

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

    E-Print Network [OSTI]

    Raffle, Hayes Solos, 1974-

    2004-01-01T23:59:59.000Z

    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 ...

  17. Phase IV Simulant Testing of Monosodium Titanate Adsorption Kinetics

    SciTech Connect (OSTI)

    Hobbs, D.T.

    1999-09-29T23:59:59.000Z

    The Salt Disposition Systems Engineering Team identified the adsorption kinetics of actinides and strontium onto monosodium titanate (MST) as a technical risk in several of the processing alternatives selected for additional evaluation in Phase III of their effort.

  18. Integrating Acclimated Kinetic Envelopes into Sustainable Building Design 

    E-Print Network [OSTI]

    Wang, Jialiang

    2014-05-28T23:59:59.000Z

    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...

  19. NIST Standard Reference Database 17 NIST Chemical Kinetics Database

    E-Print Network [OSTI]

    NIST Standard Reference Database 17 __________________________________________________________ NIST Chemical Kinetics Database WindowsTM Version 2Q98 Users' Guide (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data

  20. atom kinetic energy: Topics by E-print Network

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

    .self-consistent Thomas Fermi TF atom discussed w Kais, Sabre 3 Towards an exact orbital-free single-particle kinetic energy density for the inhomogeneous electron liquid in the...

  1. astrophysical systems kinetic: Topics by E-print Network

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

    9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Thermonuclear Kinetics in Astrophysics CERN Preprints Summary: Over the billions of years since...

  2. Kinetics and Solvent Effects in the Synthesis of Ionic Liquids

    E-Print Network [OSTI]

    Schleicher, Jay C.

    2007-12-12T23:59:59.000Z

    Ionic liquids (ILs) are being recognized as environmentally friendly ("green") solvents. However, their synthesis is often conducted in the very solvents that they will reportedly replace. This research has investigated the kinetics and solvent...

  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. Kinetic modeling and automated optimization in microreactor systems

    E-Print Network [OSTI]

    Moore, Jason Stuart

    2013-01-01T23:59:59.000Z

    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 ...

  5. OBJECT KINETIC MONTE CARLO SIMULATIONS OF MICROSTRUCTURE EVOLUTION

    SciTech Connect (OSTI)

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2013-09-30T23:59:59.000Z

    The objective is to report the development of the flexible object kinetic Monte Carlo (OKMC) simulation code KSOME (kinetic simulation of microstructure evolution) which can be used to simulate microstructure evolution of complex systems under irradiation. In this report we briefly describe the capabilities of KSOME and present preliminary results for short term annealing of single cascades in tungsten at various primary-knock-on atom (PKA) energies and temperatures.

  6. Theory of semicollisional kinetic Alfven modes in sheared magnetic fields

    SciTech Connect (OSTI)

    Hahm, T.S.; Chen, L.

    1985-02-01T23:59:59.000Z

    The spectra of the semicollisional kinetic Alfven modes in a sheared slab geometry are investigated, including the effects of finite ion Larmor radius and diamagnetic drift frequencies. The eigenfrequencies of the damped modes are derived analytically via asymptotic analyses. In particular, as one reduces the resistivity, we find that, due to finite ion Larmor radius effects, the damped mode frequencies asymptotically approach finite real values corresponding to the end points of the kinetic Alfven continuum.

  7. Single event kinetic modeling of the hydrocracking of paraffins

    E-Print Network [OSTI]

    Kumar, Hans

    2004-11-15T23:59:59.000Z

    of MASTER OF SCIENCE August 2004 Major Subject: Chemical Engineering SINGLE EVENT KINETIC MODELING OF THE HYDROCRACKING OF PARAFFINS A Thesis by HANS KUMAR Submitted to Texas A&M University...) Kenneth R. Hall (Head of Department) August 2004 Major Subject: Chemical Engineering iii ABSTRACT Single Event Kinetic Modeling of the Hydrocracking of Paraffins. (August 2004) Hans Kumar, B.E., University of Roorkee, India Chair...

  8. A unified theory on electro-kinetic extraction of contaminants

    E-Print Network [OSTI]

    Datla, Subbaraju

    1994-01-01T23:59:59.000Z

    of contaminants from fine-grained soils. Here, the experimental and the theoretical studies conducted to date are reviewed briefly 2. 3. 1. Experimental Studies The technique of electro-kinetic extraction of salts from alkaline soils was investigated by Puri...A VNIFIED THEORY ON ELECTRO-KINETIC EXTRACTION OF CONTAMINANTS A Thesis by SUBBARAJU DATLA 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...

  9. 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

  10. HCCI in a CFR engine: experiments and detailed kinetic modeling

    SciTech Connect (OSTI)

    Flowers, D; Aceves, S; Smith, R; Torres, J; Girard, J; Dibble, R

    1999-11-05T23:59:59.000Z

    Single cylinder engine experiments and chemical kinetic modeling have been performed to study the effect of variations in fuel, equivalence ratio, and intake charge temperature on the start of combustion and the heat release rate. Neat propane and a fuel blend of 15% dimethyl-ether in methane have been studied. The results demonstrate the role of these parameters on the start of combustion, efficiency, imep, and emissions. Single zone kinetic modeling results show the trends consistent with the experimental results.

  11. Consistent description of kinetics and hydrodynamics of dusty plasma

    SciTech Connect (OSTI)

    Markiv, B. [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine)] [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine); Tokarchuk, M. [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine) [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine); National University “Lviv Polytechnic,” 12 Bandera St., 79013 Lviv (Ukraine)

    2014-02-15T23:59:59.000Z

    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.

  12. Precipitation kinetics in ultra-high lime softening 

    E-Print Network [OSTI]

    Peacock, Edward Dale

    1986-01-01T23:59:59.000Z

    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...

  13. en asociacin Asociaciones

    E-Print Network [OSTI]

    . Coloquio sobre contaminaciones por metales y su impacto en el medio ambiente, la salud y la sociedad, en

  14. Fracture toughness and process zone kinetics in amorphous polymers

    SciTech Connect (OSTI)

    Kim, A.

    1992-01-01T23:59:59.000Z

    Usually, a process (deformation) zone is formed ahead of a crack as a response to the stress concentration in ductile materials. Then the crack initiation and propagation are inseparable from the evolution of the process zone accompanying the crack. Thus the kinetics of process zone evolution is closely coupled with the time dependency of fracture. In this study, we report the effects of weathering, scale and loading rate on fracture toughness parameters, and the kinetics of process zone evolution. We also propose a kinetic equation for process zone as a basis for modeling of the time dependency of polycarbonate fracture. Since the well-known Griffith's criterion is usually implemented for characterization of brittle fracture, we have reviewed the applicability of the conventional toughness parameter to characterization of brittle polymers. After that we applied the developed experimental and analytical technique to polycarbonate which possesses ductility and thus does not obey the conventional fracture toughness characterization requirements. The fracture toughness analysis leads to recognition of the important role of process zone evolution in fracture phenomena. As result, one of the main topics of the present work is the experimental and theoretical studies of the process zone kinetics. The kinetic equation is derived following the first principle of thermodynamics of irreversible processes. It provides a master curve for the process zone evolution for various initial conditions. The kinetic equation for the evolution of the process zone in polycarbonate is the main achievement of the thesis. The results provide the basis for mathematical modeling of time dependency of fracture.

  15. POLARIZATION AND COMPRESSIBILITY OF OBLIQUE KINETIC ALFVEN WAVES

    SciTech Connect (OSTI)

    Hunana, P.; Goldstein, M. L. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)] [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Passot, T.; Sulem, P. L.; Laveder, D. [Laboratoire J. L. Lagrange, Universite de Nice Sophia Antipolis, CNRS, Observatoire de la Cote d'Azur, BP 4229, F-06304 Nice Cedex 4 (France)] [Laboratoire J. L. Lagrange, Universite de Nice Sophia Antipolis, CNRS, Observatoire de la Cote d'Azur, BP 4229, F-06304 Nice Cedex 4 (France); Zank, G. P. [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35805 (United States)] [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35805 (United States)

    2013-04-01T23:59:59.000Z

    It is well known that a complete description of the solar wind requires a kinetic description and that, particularly at sub-proton scales, kinetic effects cannot be ignored. It is nevertheless usually assumed that at scales significantly larger than the proton gyroscale r{sub L} , magnetohydrodynamics or its extensions, such as Hall-MHD and two-fluid models with isotropic pressures, provide a satisfactory description of the solar wind. Here we calculate the polarization and magnetic compressibility of oblique kinetic Alfven waves and show that, compared with linear kinetic theory, the isotropic two-fluid description is very compressible, with the largest discrepancy occurring at scales larger than the proton gyroscale. In contrast, introducing anisotropic pressure fluctuations with the usual double-adiabatic (or CGL) equations of state yields compressibility values which are unrealistically low. We also show that both of these classes of fluid models incorrectly describe the electric field polarization. To incorporate linear kinetic effects, we use two versions of the Landau fluid model that include linear Landau damping and finite Larmor radius (FLR) corrections. We show that Landau damping is crucial for correct modeling of magnetic compressibility, and that the anisotropy of pressure fluctuations should not be introduced without taking into account the Landau damping through appropriate heat flux equations. We also show that FLR corrections to all the retained fluid moments appear to be necessary to yield the correct polarization. We conclude that kinetic effects cannot be ignored even for kr{sub L} << 1.

  16. 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)

    2013-04-12T23:59:59.000Z

    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.

  17. Mineral dissolution kinetics at the pore scale

    SciTech Connect (OSTI)

    Li, L.; Steefel, C.I.; Yang, L.

    2007-05-24T23:59:59.000Z

    Mineral dissolution rates in the field have been reported to be orders of magnitude slower than those measured in the laboratory, an unresolved discrepancy that severely limits our ability to develop scientifically defensible predictive or even interpretive models for many geochemical processes in the earth and environmental sciences. One suggestion links this discrepancy to the role of physical and chemical heterogeneities typically found in subsurface soils and aquifers in producing scale-dependent rates where concentration gradients develop. In this paper, we examine the possibility that scale-dependent mineral dissolution rates can develop even at the single pore and fracture scale, the smallest and most fundamental building block of porous media. To do so, we develop two models to analyze mineral dissolution kinetics at the single pore scale: (1) a Poiseuille Flow model that applies laboratory-measured dissolution kinetics at the pore or fracture wall and couples this to a rigorous treatment of both advective and diffusive transport, and (2) a Well-Mixed Reactor model that assumes complete mixing within the pore, while maintaining the same reactive surface area, average flow rate, and geometry as the Poiseuille Flow model. For a fracture, a 1D Plug Flow Reactor model is considered in addition to quantify the effects of longitudinal versus transverse mixing. The comparison of averaged dissolution rates under various conditions of flow, pore size, and fracture length from the three models is used as a means to quantify the extent to which concentration gradients at the single pore and fracture scale can develop and render rates scale-dependent. Three important minerals that dissolve at widely different rates, calcite, plagioclase, and iron hydroxide, are considered. The modeling indicates that rate discrepancies arise primarily where concentration gradients develop due to comparable rates of reaction and advective transport, and incomplete mixing via molecular diffusion. The magnitude of the reaction rate is important, since it is found that scaling effects (and thus rate discrepancies) are negligible at the single pore and fracture scale for plagioclase and iron hydroxide because of the slow rate at which they dissolve. In the case of calcite, where dissolution rates are rapid, scaling effects can develop at high flow rates from 0.1 cm/s to 1000 cm/s and for fracture lengths less than 1 cm. At more normal flow rates, however, mixing via molecular diffusion is effective in homogenizing the concentration field, thus eliminating any discrepancies between the Poiseuille Flow and the Well-Mixed Reactor model. This suggests that a scale dependence to mineral dissolution rates is unlikely at the single pore or fracture scale under normal geological/hydrologic conditions, implying that the discrepancy between laboratory and field rates must be attributed to other factors.

  18. Zero kinetic energy photoelectron spectroscopy of triphenylene

    SciTech Connect (OSTI)

    Harthcock, Colin; Zhang, Jie; Kong, Wei, E-mail: wei.kong@oregonstate.edu [Department of Chemistry, Oregon State University, Corvallis, Oregon 97331 (United States)

    2014-06-28T23:59:59.000Z

    We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S{sub 1} of the neutral molecule is of A{sub 1}? symmetry and is therefore electric dipole forbidden in the D{sub 3h} group. Consequently, there are no observable Franck-Condon allowed totally symmetric a{sub 1}? vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E? third electronically excited state S{sub 3}. The assignment of all vibrational bands as e? symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C{sub 2v} and resulting in two nearly degenerate electronic states of A{sub 2} and B{sub 1} symmetry. Here we follow a crude treatment by assuming that all e? vibrational modes resolve into b{sub 2} and a{sub 1} modes in the C{sub 2v} molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63?365 ± 7 cm{sup ?1}. The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.

  19. Neptunium_Oxide_Precipitation_Kinetics_AJohnsen

    SciTech Connect (OSTI)

    Johnsen, A M; Roberts, K E; Prussin, S G

    2012-06-08T23:59:59.000Z

    We evaluate the proposed NpO{sub 2}{sup +}(aq)-NpO{sub 2}(cr) reduction-precipitation system at elevated temperatures to obtain primary information on the effects of temperature, ionic strength, O{sub 2} and CO{sub 2}. Experiments conducted on unfiltered solutions at 10{sup -4} M NpO{sub 2}{sup +}(aq), neutral pH, and 200 C indicated that solution colloids strongly affect precipitation kinetics. Subsequent experiments on filtered solutions at 200, 212, and 225 C showed consistent and distinctive temperature-dependent behavior at reaction times {le} 800 hours. At longer times, the 200 C experiments showed unexpected dissolution of neptunium solids, but experiments at 212 C and 225 C demonstrated quasi steady-state neptunium concentrations of 3 x 10{sup -6} M and 6 x 10{sup -6} M, respectively. Solids from a representative experiment analyzed by X-ray diffraction were consistent with NpO{sub 2}(cr). A 200 C experiment with a NaCl concentration of 0.05 M showed a dramatic increase in the rate of neptunium loss. A 200 C experiment in an argon atmosphere resulted in nearly complete loss of aqueous neptunium. Previously proposed NpO{sub 2}{sup +}(aq)-NpO{sub 2}(cr) reduction-precipitation mechanisms in the literature specified a 1:1 ratio of neptunium loss and H{sup +} production in solution over time. However, all experiments demonstrated ratios of approximately 0.4 to 0.5. Carbonate equilibria can account for only about 40% of this discrepancy, leaving an unexpected deficit in H+ production that suggests that additional chemical processes are occurring.

  20. Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

    SciTech Connect (OSTI)

    Westbrook, C.K.

    2000-07-07T23:59:59.000Z

    Chemical kinetic factors of hydrocarbon oxidation are examined in a variety of ignition problems. Ignition is related to the presence of a dominant chain branching reaction mechanism that can drive a chemical system to completion in a very short period of time. Ignition in laboratory environments is studied for problems including shock tubes and rapid compression machines. Modeling of the laboratory systems are used to develop kinetic models that can be used to analyze ignition in practical systems. Two major chain branching regimes are identified, one consisting of high temperature ignition with a chain branching reaction mechanism based on the reaction between atomic hydrogen with molecular oxygen, and the second based on an intermediate temperature thermal decomposition of hydrogen peroxide. Kinetic models are then used to describe ignition in practical combustion environments, including detonations and pulse combustors for high temperature ignition, and engine knock and diesel ignition for intermediate temperature ignition. The final example of ignition in a practical environment is homogeneous charge, compression ignition (HCCI) which is shown to be a problem dominated by the kinetics intermediate temperature hydrocarbon ignition. Model results show why high hydrocarbon and CO emissions are inevitable in HCCI combustion. The conclusion of this study is that the kinetics of hydrocarbon ignition are actually quite simple, since only one or two elementary reactions are dominant. However, there are many combustion factors that can influence these two major reactions, and these are the features that vary from one practical system to another.

  1. Kinetics of growth of spinel crystals in a borosilicate glass

    SciTech Connect (OSTI)

    Alton, Jesse; Plaisted, Trevor J.; Hrma, Pavel R.

    2002-07-01T23:59:59.000Z

    Three aspects of the kinetics of spinel crystallization in a high-level waste (HLW) glass were studied: (1) the effect of nucleation agents on the number density (ns) of spinel crystals, (2) crystallization kinetics in a crushed glass, and (3) crystallization kinetics in a glass preheated at T > TL (liquidus temperature). In glass lacking in nucleation agents, ns was a strong function of temperature. In glasses with noble metals (Rh, Ru, Pd, and Pt), ns increased by up to four orders of magnitude and was nearly independent of temperature. The kinetics of spinel crystallization in crushed glass lacking nucleation agents was dominated by surface crystallization and was described by the Kolmogorov-Johnson-Mehl-Avrami (KJMA) equation with the Avrami exponent n {at} 0.5. For application to HLW glass melter processing, it was necessary to preheat glass at T > TL to eliminate the impact of temperature history and surface crystallization on crystal nucleation and growth. In the temperature range of glass processing, crystals descend under gravity when they reach a critical size. Below this critical size, crystallization kinetics is described by the KJMA equation and above the critical size by the Hixson-Crowell equation. At low temperatures, at which glass viscosity is high and diffusion is slow, the KJMA equation represents crystal growth from nucleation to equilibrium. As ns increases, the temperature interval of the transition from the KJMA to Hixson-Crowell regime shifts to a higher temperature.

  2. Kinetics of growth of spinel crystals in a borosilicate glass

    SciTech Connect (OSTI)

    Alton, Jesse; Plaisted, Trevor J.; Hrma, Pavel R.

    2002-08-08T23:59:59.000Z

    Three aspects of the kinetics of spinel crystallization in a high-level waste (HLW) glass were studied: (1) the effect of nucleation agents on the number density (ns) of spinel crystals, (2) crystallization kinetics in a crushed glass, and (3) crystallization kinetics in a glass preheated at T>TL (liquidus temperature). In glass lacking in nucleation agens, ns was a strong function of temperature. In glasses with noble metals (Rh, Ru, Pd, and Pt), ns increased by up to four orders of magnitude and was nearly independent of temperature. The kinetics of spinel crystallization in crushed glass lacking nucleation agents was dominated by surface crystallization and was described by the Kolmogorov-Johnson-Mehl-Avrami (KJMA) equation with the Avrami exponent n~0.5. For application to HLW glass melter processing, it was necessary to preheat glass at T>TL to eliminate the impact of temperature history and surface crystallization on crystal nucleation and growth. In the temperature range of glass processing, crystals descend under gravity when they reach a critical size. Below this critical size, crystallization kinetics is described by the KJMA equation and above the critical size by the Hixson-Crowell equation. At low temperatures, at which glass viscosity is high and diffusion is slow, the KJMA equation represents crystal growth from nucleation to equilibrium. As ns increases, the temperature interval of the transition from the KJMA to Hisxon-Crowell regime shifts to a higher temperature.

  3. Widening the Axion Window via Kinetic and Stückelberg Mixings

    E-Print Network [OSTI]

    Gary Shiu; Wieland Staessens; Fang Ye

    2015-03-03T23:59:59.000Z

    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.

  4. Temporal Variations in the Sun's Rotational Kinetic Energy

    E-Print Network [OSTI]

    H. M. Antia; S. M. Chitre; D. O. Gough

    2007-11-06T23:59:59.000Z

    AIM: To study the variation of the angular momentum and the rotational kinetic energy of the Sun, and associated variations in the gravitational multipole moments, on a timescale of the solar cycle. METHOD: Inverting helioseismic rotational splitting data obtained by the Global Oscillation Network Group and by the Michelson Doppler Imager on the Solar and Heliospheric Observatory. RESULTS: The temporal variation in angular momentum and kinetic energy at high latitudes (>\\pi/4) through the convection zone is positively correlated with solar activity, whereas at low latitudes it is anticorrelated, except for the top 10% by radius where both are correlated positively. CONCLUSION: The helioseismic data imply significant temporal variation in the angular momentum and the rotational kinetic energy, and in the gravitational multipole moments. The properties of that variation will help constrain dynamical theories of the solar cycle.

  5. On bias of kinetic temperature measurements in complex plasmas

    SciTech Connect (OSTI)

    Kantor, M. [Association Euratom-Max-Planck-Institut für Plasmaphysik, D-85748 Garching bei München (Germany) [Association Euratom-Max-Planck-Institut für Plasmaphysik, D-85748 Garching bei München (Germany); Association Euratom-FOM Institute DIFFER, 3430 BE Nieuwegein (Netherlands); Ioffe Institute, RAS, St. Petersburg 194021 (Russian Federation); Moseev, D., E-mail: dmitry.moseev@ipp.mpg.de [Association Euratom-Max-Planck-Institut für Plasmaphysik, D-85748 Garching bei München (Germany); Association Euratom-FOM Institute DIFFER, 3430 BE Nieuwegein (Netherlands); Salewski, M. [Association Euratom-DTU, Department of Physics, Technical University of Denmark, DTU Ris o Campus, DK-4000 Roskilde (Denmark)] [Association Euratom-DTU, Department of Physics, Technical University of Denmark, DTU Ris o Campus, DK-4000 Roskilde (Denmark)

    2014-02-15T23:59:59.000Z

    The kinetic temperature in complex plasmas is often measured using particle tracking velocimetry. Here, we introduce a criterion which minimizes the probability of faulty tracking of particles with normally distributed random displacements in consecutive frames. Faulty particle tracking results in a measurement bias of the deduced velocity distribution function and hence the deduced kinetic temperature. For particles with a normal velocity distribution function, mistracking biases the obtained velocity distribution function towards small velocities at the expense of large velocities, i.e., the inferred velocity distribution is more peaked and its tail is less pronounced. The kinetic temperature is therefore systematically underestimated in measurements. We give a prescription to mitigate this type of error.

  6. Kinetic Alfvén wave turbulence and formation of localized structures

    SciTech Connect (OSTI)

    Sharma, R. P. [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India)] [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India); Modi, K. V. [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India) [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India); Mechanical Engineering Department, Government Engineering College Valsad, Gujarat 396001 (India)

    2013-08-15T23:59:59.000Z

    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.

  7. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

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

    2010-11-15T23:59:59.000Z

    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.

  8. Kinetics of high-conversion hydrocracking of bitumen

    SciTech Connect (OSTI)

    Nagaishi, H.; Gray, M.R. [Univ. of Alberta, Edmonton (Canada); Chan, E.W.; Sanford, E.C. [Syncrude Canada, Edmonton, Alberta (Canada)

    1995-12-31T23:59:59.000Z

    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.

  9. Kinetic Theory for Binary Granular Mixtures at Low-Density

    E-Print Network [OSTI]

    Vicente Garzo

    2007-04-10T23:59:59.000Z

    Many features of granular media can be modelled as a fluid of hard spheres with {\\em inelastic} collisions. Under rapid flow conditions, the macroscopic behavior of grains can be described through hydrodynamic equations. At low-density, a fundamental basis for the derivation of the hydrodynamic equations and explicit expressions for the transport coefficients appearing in them is provided by the Boltzmann kinetic theory conveniently modified to account for inelastic binary collisions. The goal of this chapter is to give an overview of the recent advances made for binary granular gases by using kinetic theory tools. Some of the results presented here cover aspects such as transport properties, energy nonequipartition, instabilities, segregation or mixing, non-Newtonian behavior, .... In addition, comparison of the analytical results with those obtained from Monte Carlo and molecular dynamics simulations is also carried out, showing the reliability of kinetic theory to describe granular flows even for strong dissipation.

  10. Benchmarking kinetic calculations of resistive wall mode stability

    SciTech Connect (OSTI)

    Berkery, J. W.; Sabbagh, S. A. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States)] [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States); Liu, Y. Q. [Euratom/CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom)] [Euratom/CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Wang, Z. R.; Logan, N. C.; Park, J.-K.; Manickam, J. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States)] [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Betti, R. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States)] [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States)

    2014-05-15T23:59:59.000Z

    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)].

  11. Spectroscopy and kinetics of combustion gases at high temperatures

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  12. 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)

    1997-12-31T23:59:59.000Z

    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.

  13. Nonisothermal kinetics of spinel crystallization in a HLW glass

    SciTech Connect (OSTI)

    Casler, D.G.; Hrma, P.

    1999-07-01T23:59:59.000Z

    Nonisothermal kinetics of spinel crystallization in a high-level waste (HLW) glass was predicted using Mehl-Avrami-Johnson-Kolmogorov equation coefficients from isothermal data. The volume fraction of spinel was determined as a function of time, temperature, and cooling rate. The results were verified experimentally. Also predicted was the spatial distribution of spinel in a HLW glass canister. Finally, a parameter study was performed, and an empirical equation was proposed relating the final spinel volume fraction in glass to dimensionless numbers for cooling rate, phase equilibrium, and crystallization kinetics.

  14. Infrared absorption spectroscopy and chemical kinetics of free radicals

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  15. AER1301: KINETIC THEORY OF GASES Assignment #1

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    AER1301: KINETIC THEORY OF GASES Assignment #1 1. A hypersonic wind tunnel is contructed so such that the mean free path, , is given by the expression = 16µ 5 1 2RT , where R is the ideal gas constant and p space and the length of each side of the cube is 4v. (a) Obtain an expression for the normalized

  16. AER1301: KINETIC THEORY OF GASES Assignment #1

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    AER1301: KINETIC THEORY OF GASES Assignment #1 1. A hypersonic wind tunnel is contructed so spheres during collisions such that the mean free path, #21;, is given by the expression #21; = 16#22; 5 of the cube is 4v Æ . (a) Obtain an expression for the normalized velocity distribution function, f(v). (b

  17. Kinetic and electromagnetic transport processes in toroidal devices

    SciTech Connect (OSTI)

    Moses, R.W.; Schoenberg, K.F.

    1990-01-01T23:59:59.000Z

    A brief review of transport processes in toroidal devices is presented. Particular attention is given to radial transport of power by the Poynting's vector and kinetic electron flow. This work is primarily focused on the Reversed Field Pinch (RFP) which holds the added complexity of a dynamo process that sustains poloidal current in the edge region, where the toroidal field is reversed. The experimental observation of superthermal unidirectional electrons in the plasma edge of ZT-40M and HBTX1C is noted, and the rapid, nonclassical ion heating in RFPs is taken account of. Radial transport parallel to fluctuating magnetic field lines is deemed a likely candidate for both electromagnetic and kinetic energy transport. Two models are discussed and compared. It is concluded that electromagnetic transport using a local Ohm's law best describes nonclassical ion heating, and the transport of kinetic energy by long mean free path electrons best represents the half-Maxwellian of electrons observed in the edge of several RFPs. A nonlocal Ohm's law is essential for the kinetic electron model. 18 refs.

  18. Plasmadynamics and ionization kinetics of thermionic energy conversion

    SciTech Connect (OSTI)

    Lawless, J.L. Jr.; Lam, S.H.

    1982-02-01T23:59:59.000Z

    To reduce the plasma arc-drop, thermionic energy conversion is studied with both analytical and numerical tools. Simplifications are made in both the plasmadynamic and ionization-recombination theories. These are applied to a scheme proposed presently using laser irradiation to enhance the ionization kinetics of the thermionic plasma and thereby reduce the arc-drop. It is also predicted that it is possible to generate the required laser light from a thermionic-type cesium plasma. The analysis takes advantage of theoretical simplifications derived for the ionization-recombination kinetics. It is shown that large laser ionization enhancements can occur and that collisional cesium recombination lasing is expected. To complement the kinetic theory, a numerical method is developed to solve the thermionic plasma dynamics. To combine the analysis of ionization-recombination kinetics with the plasma dynamics of thermionic conversion, a finite difference computer program is constructed. It is capable of solving for both unsteady and steady thermionic converter behavior including possible laser ionization enhancement or atomic recombination lasing. A proposal to improve thermionic converter performance using laser radiation is considered. In this proposed scheme, laser radiation impinging on a thermionic plasma enhances the ionization process thereby raising the plasma density and reducing the plasma arc-drop. A source for such radiation may possibly be a cesium recombination laser operating in a different thermionic converter. The possibility of this being an energy efficient process is discussed. (WHK)

  19. Kinetics of the clay roofing tile convection drying

    SciTech Connect (OSTI)

    Thomas, S. (Univ. of Osijek (Croatia). Faculty of Food Technology); Skansi, D. (Univ. of Zagreb (Croatia). Faculty of Chemical Engineering and Technology); Sokele, M. (Croatian Post and Telecommunications, Zagreb (Croatia). Telecommunications Center)

    1993-01-01T23:59:59.000Z

    Kinetics of the convection drying process of flat tile has been investigated experimentally in an industrial tunnel dryer. Several velocities of wet tile movement through the dryer were tested to obtain maximum allowable drying rate curve. As there are various models to describe the kinetics of convection drying, finding a model that would fairly well approximate the kinetics of the whole drying process was part of the research. Especially the polynomial and exponential models were tested. It was found that exponential model of the type: B(t) = (a[minus]B[sub e])[center dot]EXP([minus]bt[sup 2])+B[sub e], ([minus]dB(t)/dt) = 2bt(B(t)[minus]B[sub e]) significantly correlates the kinetics of the whole tile drying process. Applying the maximum allowable drying rate curve obtained for flat tile in the first period of drying, a grapho-analytic model for the optimal conducting of the process has been developed.

  20. Kinetic Controls on Cu and Pb Sorption by Ferrihydrite

    E-Print Network [OSTI]

    Sparks, Donald L.

    time. To determine key factors controlling the kinetics, we measured Cu and Pb uptake as a function that the surfaces of primary particles with diameters of only a few nanometers are accessible even after aggregation ferrihydrite aggregates or the branched structure of primary ferrihydrite particles. Consequently, they fitted

  1. Improve Claus simulation by integrating kinetic limitations into equilibrium calculations

    SciTech Connect (OSTI)

    Wen, T.C.

    1986-01-01T23:59:59.000Z

    Since all existing Claus simulators are based on equilibrium calculations, it is not surprising that the simulation results, including the overall sulfur yield, air to acid gas ratio, and stream compositions are somewhat different from the plant data. One method for improving the simulation is to consider the kinetic limitations in the Claus reactions. This has been accomplished in this work by integrating kinetic considerations into equilibrium calculations. Kinetic limitations have been introduced in both the Claus reaction furnace and the catalytic converters. An interactive computer program SULPLT Version 3 was written to implement the proposed modifications. The computer program was used to simulate the Claus furnace, catalytic converters, and the effect of air to acid gas ratio on sulfur recovery to check against literature data. Three Claus plants for which data exist have also been simulated. The results show that the proposed model predicts sulfur recovery, sulfur emission, optimal air to acid gas ratio, and various stream compositions more accurately than the equilibrium model. The proposed model appears to be valid, reliable, and applicable over a wide range of operating conditions (acid gas feeds ranging from 13% to 95% H/sub 2/S with different levels of impurities). The methodology developed in this study should be applicable to any reaction systems where kinetic limitations are important but where equilibrium still prevails.

  2. 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

  3. 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

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

    SciTech Connect (OSTI)

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

    1982-03-01T23:59:59.000Z

    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.

  5. 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

  6. 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

  7. DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics

    E-Print Network [OSTI]

    DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics Soo­Yong Shin 1 , Eun Jeong the complexity of DNA computing. The complexity of any computational algorithm is typically measured in terms of time and space. In DNA computing, the time complexity can be measured by the total reaction time

  8. DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics

    E-Print Network [OSTI]

    DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics Soo-Yong Shin1 , Eun Jeong of DNA computing. The complexity of any computational algorithm is typically measured in terms of time and space. In DNA computing, the time complexity can be measured by the total reaction time

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

    SciTech Connect (OSTI)

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

    2014-09-18T23:59:59.000Z

    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.

  10. SUPPORTING INFORMATION Dissecting the Kinetic Process of Amyloid Fiber Formation

    E-Print Network [OSTI]

    Zhang, Yang

    eight Type-I amyloid proteins (the yeast prion Sup35 NW region, Csg Btrunc, Ure2 protein, 2SUPPORTING INFORMATION Dissecting the Kinetic Process of Amyloid Fiber Formation through Asymptotic 2 1 , where A represents proteins with specific conformations before fibrillation, B is proteins

  11. Kinetic Model for Motion Compensation in Computed Tomography

    E-Print Network [OSTI]

    1 Kinetic Model for Motion Compensation in Computed Tomography Zhou Yu, Jean-Baptiste Thibault- gorithms have recently been applied to computed tomography and demonstrated superior image quality. MBIR to computed tomography and demonstrated superior image quality performance [1], [2], [3]. These methods

  12. 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

  13. 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

  14. 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

  15. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

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

    2007-09-20T23:59:59.000Z

    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.

  16. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

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

    2007-09-17T23:59:59.000Z

    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.

  17. Computational Modeling of Pancreatic Cancer Reveals Kinetics of Metastasis

    E-Print Network [OSTI]

    Theory Computational Modeling of Pancreatic Cancer Reveals Kinetics of Metastasis Suggesting and size distribution of metas- tases as well as patient survival. These findings were validated death and one of the most aggressive malignancies in humans, with a five-year relative survival rate

  18. PROCESS SYSTEMS ENGINEERING Design of Flexible Reduced Kinetic Mechanisms

    E-Print Network [OSTI]

    Androulakis, Ioannis (Yannis)

    PROCESS SYSTEMS ENGINEERING Design of Flexible Reduced Kinetic Mechanisms Avinash R. Sirdeshpande and Marianthi G. Ierapetritou Dept. of Chemical and Biochemical Engineering, Rutgers, The State UniversityMobil Research and Engineering, Annandale, NJ 08801 Reduced mechanisms are often used in place of detailed

  19. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)

    2008-08-15T23:59:59.000Z

    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)

  20. Kinetics of Silicothermic Reduction of Calcined Dolomite in Flowing Argon

    E-Print Network [OSTI]

    Liley, David

    of Experimental Rig De oxi dat ion Fu rn ac e TC TC Copper Turning Reduction Furnace Argon Gas Condenser Gas wash. Disadvantages: high impurity, high condenser area #12;© Swinburne University of Technology Aim of the project the fundamental physical chemistry Thermodynamic modelling Kinetic analysis High temperature experiments

  1. KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYNTHESIS

    SciTech Connect (OSTI)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski

    2006-09-29T23:59:59.000Z

    This report covers the fourth year of a research project conducted under the University Coal Research Program. 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. The model will be able to predict molar flow rates and concentrations of all reactants and major product species (water, carbon dioxide, linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the fourth year of the project, an analysis of experimental data collected during the second year of this project was performed. Kinetic parameters were estimated utilizing product distributions from 27 mass balances. During the reporting period two kinetic models were employed: a comprehensive kinetic model of Dr. Li and co-workers (Yang et al., 2003) and a hydrocarbon selectivity model of Van der Laan and Beenackers (1998, 1999) The kinetic model of Yang et al. (2003) has 24 parameters (20 parameters for hydrocarbon formation, and 4 parameters for the water-gas-shift (WGS) reaction). Kinetic parameters for the WGS reaction and FTS synthesis were estimated first separately, and then simultaneously. The estimation of these kinetic parameters employed the Levenberg-Marquardt (LM) method and the trust-region reflective Newton large-scale (LS) method. A genetic algorithm (GA) was incorporated into estimation of parameters for FTS reaction to provide initial estimates of model parameters. All reaction rate constants and activation energies were found to be positive, but at the 95% confidence level the intervals were large. Agreement between predicted and experimental reaction rates has been fair to good. Light hydrocarbons are predicted fairly accurately, whereas the model underpredicts values of higher molecular weight hydrocarbons. Van der Laan and Beenackers hydrocarbon selectivity model provides a very good fit of the experimental data for hydrocarbons up to about C{sub 20}. However, the experimental data shows higher paraffin formation rates in C{sub 12}-C{sub 25} region which is likely due to hydrocracking or other secondary reactions. The model accurately captures the observed experimental trends of decreasing olefin to paraffin ratio and increasing {alpha} (chain growth length) with increase in chain length.

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

    E-Print Network [OSTI]

    Jester-Weinstein, Jack (Jack L.)

    2013-01-01T23:59:59.000Z

    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 ...

  3. Kinetic isotope and trace element partitioning during calcite precipitation from aqueous solution

    E-Print Network [OSTI]

    Nielsen, Laura Christina

    2012-01-01T23:59:59.000Z

    new overall reaction kinetic expression. Geochim. Cosmochim.a more typical expression for ? st , where the step kineticexpression reduces to the DePaolo (2011) macroscopic model of kinetic

  4. Thesis for the Degree of Licentiate of Engineering A Compartmental Model for Kinetics of

    E-Print Network [OSTI]

    Patriksson, Michael

    Thesis for the Degree of Licentiate of Engineering A Compartmental Model for Kinetics The thesis This licentiate thesis is the mathematical result in an ongoing project in kinetics of lipopro

  5. 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 ...

  6. Charge transport in micas: The kinetics of FeII/III electron...

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

    transport in micas: The kinetics of FeIIIII electron transfer in the octahedral sheet. Charge transport in micas: The kinetics of FeIIIII electron transfer in the octahedral...

  7. A comparison of the point kinetics equations with the QUANDRY analytic nodal diffusion method

    E-Print Network [OSTI]

    Velasquez, Arthur

    1993-01-01T23:59:59.000Z

    The point kinetics equations were incorporated into QUANDRY, a nuclear reactor analysis computer program which uses the analytic nodal method to solve the neutron diffusion equation. Both the point kinetics equations, solved using the IMSL MATH...

  8. Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics

    E-Print Network [OSTI]

    Bazant, Martin Z.

    Advances in the fields of catalysis and electrochemical energy conversion often involve nanoparticles, which can have kinetics surprisingly different from the bulk material. Classical theories of chemical kinetics assume ...

  9. 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

  10. Crystallization Kinetics and Excess Free Energy of H2O and D2O...

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

    Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale Films of Amorphous Solid Water. Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale...

  11. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate of biodiesel fuels in diesel and homogeneous charge compression ignition engines. Keywords: Methyl decanoate; Methyl decenoate; Surrogate; Oxidation; Biodiesel fuels; Kinetic modeling; Engine; Low

  12. CHAPTER 5. PLASMA DESCRIPTIONS I: KINETIC, TWO-FLUID 1 Plasma Descriptions I

    E-Print Network [OSTI]

    Callen, James D.

    CHAPTER 5. PLASMA DESCRIPTIONS I: KINETIC, TWO-FLUID 1 Chapter 5 Plasma Descriptions I: Kinetic, Two-Fluid Descriptions of plasmas are obtained from extensions of the kinetic theory of gases of charged particles in the plasma, and because the electric and magnetic fields in the plasma must

  13. Determination of kinetic parameters in laminar flow reactors. I. Theoretical aspects

    E-Print Network [OSTI]

    is the numerical evaluation of kinetic data, obtained from controlled experiments in a flow reactorDetermination of kinetic parameters in laminar flow reactors. I. Theoretical aspects T. Carraro1- mization of chemical flow reactors. The goal is the reliable determination of unknown kinetic parameters

  14. Evidence for Kinetic Inhomogeneity in the Curing of Epoxy Using the Near-Infrared Multispectral

    E-Print Network [OSTI]

    Reid, Scott A.

    1881, Milwaukee, Wisconsin 53201 The kinetics of curing of an epoxy resin by amine was studied usingEvidence for Kinetic Inhomogeneity in the Curing of Epoxy Using the Near-Infrared Multispectral. The kinetics of curing of epoxy by amine, determined by this multispectral imaging instrument, show

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

    E-Print Network [OSTI]

    Pratt, Vaughan

    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

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

    SciTech Connect (OSTI)

    Steefel, Carl I.

    2006-06-01T23:59:59.000Z

    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.

  17. Proton Kinetic Effects in Vlasov and Solar Wind Turbulence

    E-Print Network [OSTI]

    Servidio, S; Valentini, F; Perrone, D; Califano, F; Chapman, S; Matthaeus, W H; Veltri, P

    2013-01-01T23:59:59.000Z

    Kinetic plasma processes have been investigated in the framework of solar wind turbulence, employing Hybrid Vlasov-Maxwell (HVM) simulations. The dependency of proton temperature anisotropy T_{\\perp}/T_{\\parallel} on the parallel plasma beta \\beta_{\\parallel}, commonly observed in spacecraft data, has been recovered using an ensemble of HVM simulations. By varying plasma parameters, such as plasma beta and fluctuation level, the simulations explore distinct regions of the parameter space given by T_{\\perp}/T_{\\parallel} and \\beta_{\\parallel}, similar to solar wind sub-datasets. Moreover, both simulation and solar wind data suggest that temperature anisotropy is not only associated with magnetic intermittent events, but also with gradient-type structures in the flow and in the density. This connection between non-Maxwellian kinetic effects and various types of intermittency may be a key point for understanding the complex nature of plasma turbulence.

  18. High-energy interactions in Kinetic Inductance Detectors arrays

    E-Print Network [OSTI]

    D'Addabbo, A; Goupy, J; Benoit, A; Bourrion, O; Catalano, A; Macias-Perez, J F; Monfardini, A

    2015-01-01T23:59:59.000Z

    The impacts of Cosmic Rays on the detectors are a key problem for space-based missions. We are studying the effects of such interactions on arrays of Kinetic Inductance Detectors (KID), in order to adapt this technology for use on board of satellites. Before proposing a new technology such as the Kinetic Inductance Detectors for a space-based mission, the problem of the Cosmic Rays that hit the detectors during in-flight operation has to be studied in detail. We present here several tests carried out with KID exposed to radioactive sources, which we use to reproduce the physical interactions induced by primary Cosmic Rays, and we report the results obtained adopting different solutions in terms of substrate materials and array geometries. We conclude by outlining the main guidelines to follow for fabricating KID for space-based applications.

  19. COMSOL-based Nuclear Reactor Kinetics Studies at the HFIR

    SciTech Connect (OSTI)

    Chandler, David [ORNL] [ORNL; Freels, James D [ORNL] [ORNL; Maldonado, G Ivan [ORNL] [ORNL; Primm, Trent [ORNL] [ORNL

    2011-01-01T23:59:59.000Z

    The computational ability to accurately predict the dynamic behavior of a nuclear reactor core in response to reactivity-induced perturbations is an important subject in reactor physics. Space-time and point kinetics methodologies were developed for the purpose of studying the transient-induced behavior of the High Flux Isotope Reactor s (HFIR) compact core. The space-time simulations employed the three-energy-group neutron diffusion equations, and transients initiated by control cylinder and hydraulic tube rabbit ejections were studied. The work presented here is the first step towards creating a comprehensive multiphysics methodology for studying the dynamic behavior of the HFIR core during reactivity perturbations. The results of these studies show that point kinetics is adequate for small perturbations in which the power distribution is assumed to be time-independent, but space-time methods must be utilized to determine localized effects.

  20. Species separation and kinetic effects in collisional plasma shocks

    SciTech Connect (OSTI)

    Bellei, C., E-mail: bellei1@llnl.gov; Wilks, S. C.; Amendt, P. A. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)] [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States); Rinderknecht, H.; Zylstra, A.; Rosenberg, M.; Sio, H.; Li, C. K.; Petrasso, R. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)] [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2014-05-15T23:59:59.000Z

    The properties of collisional shock waves propagating in uniform plasmas are studied with ion-kinetic calculations, in both slab and spherical geometry and for the case of one and two ion species. Despite the presence of an electric field at the shock front—and in contrast to the case where an interface is initially present [C. Bellei et al., Phys. Plasmas 20, 044702 (2013)]—essentially no ion reflection at the shock front is observed due to collisions, with a probability of reflection ?10{sup ?4} for the cases presented. A kinetic two-ion-species spherical convergent shock is studied in detail and compared against an average-species calculation, confirming effects of species separation and differential heating of the ion species at the shock front. The effect of different ion temperatures on the DT and D{sup 3}He fusion reactivity is discussed in the fluid limit and is estimated to be moderately important.

  1. Kinetics of gasification of black liquor char by steam

    SciTech Connect (OSTI)

    Li, J.; van Heiningen, A.R.P. (Dept. of Chemical Engineering, McGill Univ., Pulp and Paper Research Inst. of Canada, Montreal, Quebec (CA))

    1991-07-01T23:59:59.000Z

    This paper reports on the steam gasification kinetics of kraft black liquor char that were studied in a thermogravimetric analysis reactor. The effect of steam and hydrogen concentration on gasification rate can be described by Langmuir-Hinshelwood type kinetics. An activation energy of 210 kJ/mol was obtained. Methane formation was negligible, and H{sub 2}S was the major gaseous sulfur-containing product obtained over the temperature range studied, 873-973 K. The CO{sub 2} concentration was higher than calculated for the water-shift reaction at equilibrium. A gasification mechanism is proposed whereby CO{sub 2} is one of the primary gasification products.

  2. Kinetic approaches to particle acceleration at cosmic ray modified shocks

    E-Print Network [OSTI]

    Elena Amato; Pasquale Blasi; Stefano Gabici

    2008-01-09T23:59:59.000Z

    Kinetic approaches provide an effective description of the process of particle acceleration at shock fronts and allow to take into account the dynamical reaction of the accelerated particles as well as the amplification of the turbulent magnetic field as due to streaming instability. The latter does in turn affect the maximum achievable momentum and thereby the acceleration process itself, in a chain of causality which is typical of non-linear systems. Here we provide a technical description of two of these kinetic approaches and show that they basically lead to the same conclusions. In particular we discuss the effects of shock modification on the spectral shape of the accelerated particles, on the maximum momentum, on the thermodynamic properties of the background fluid and on the escaping and advected fluxes of accelerated particles.

  3. Visualizing kinetic pathways of homogeneous nucleation in colloidal crystallization

    E-Print Network [OSTI]

    Peng Tan; Ning Xu; Lei Xu

    2014-12-18T23:59:59.000Z

    When a system undergoes a transition from a liquid to a solid phase, it passes through multiple intermediate structures before reaching the final state. However, our knowledge on the exact pathways of this process is limited, mainly due to the difficulty of realizing direct observations. Here, we experimentally study the evolution of symmetry and density for various colloidal systems during liquid-to-solid phase transitions, and visualize kinetic pathways with single-particle resolution. We observe the formation of relatively-ordered precursor structures with different symmetries, which then convert into metastable solids. During this conversion, two major cross-symmetry pathways always occur, regardless of the final state and the interaction potential. In addition, we find a broad decoupling of density variation and symmetry development, and discover that nucleation rarely starts from the densest regions. These findings hold for all our samples, suggesting the possibility of finding a unified picture for the complex crystallization kinetics in colloidal systems.

  4. RESOLUTION OF URANIUM ISOTOPES WITH KINETIC PHOSPHORESCENCE ANALYSIS

    SciTech Connect (OSTI)

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

    2013-04-01T23:59:59.000Z

    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.

  5. Nonequilibrium sensing and its analogy to kinetic proofreading

    E-Print Network [OSTI]

    Hartich, David; Seifert, Udo

    2015-01-01T23:59:59.000Z

    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.

  6. Plasmadynamics and ionization kinetics of thermionic energy conversion

    SciTech Connect (OSTI)

    Lawless, J.L. Jr.

    1981-01-01T23:59:59.000Z

    To reduce the plasma arc-drop, thermionic energy conversion is studied with both analytical and numerical tools. Simplifications are made in both the plasmadynamic and ionization-recombination theories. These are applied to a scheme proposed presently using laser irradiation to enhance the ionization kinetics of the thermionic plasma and thereby reduce the arc-drop. It is also predicted that it is possible to generate the required laser light from a thermionic-type Cesium plasma. The analysis takes advantage of theoretical simplifications derived for the ionization-recombination kinetics. It is shown that large laser ionization enhancements can occur and that collisional Cesium recombination lasing is expected. To complement the kinetic theory, a numerical method is developed to solve the thermionic plasma dynamics. The effects of the complete system of electron-atom inelastic collisions on the ionization-recombination problem are shown to reduce to a system nearly as simple as the well-known one-quantum approximation. To combine the above analysis of ionization-recombination kinetics with the plasma dynamics of thermionic conversion, a finite difference computer program is constructed. Using the above developments, a proposal to improve thermionic converter performance using laser radiation is considered. In this proposed scheme, laser radiation impinging on a thermionic plasma enhances the ionization process thereby raising the plasma density and reducing the plasma arc-drop. A source for such radiation may possibly be a Cesium recombination laser operating in a different thermionic converter. The possibility of this being an energy efficient process is discussed.

  7. A microrheological study of hydrogel kinetics and micro-heterogeneity

    E-Print Network [OSTI]

    Aufderhorst-Roberts, Anders; Frith, William J.; Donald, Athene M.

    2014-05-27T23:59:59.000Z

    such as peptides capped with pyrene [10] and naphthalene [11]. By far the most studied group of aromatic peptide conjugates are pep- tides capped with the fluorenylmethyloxycarbonyl moiety a Present address: School of Physics and Astronomy, E. C. Stoner building... applications include the kinetics of formation [18] and the spatial heterogeneity of the hydrogel network [19]. Un- derstanding the former is essential when designing so- called smart systems that gel under pre-specified condi- tions [20], whereas the latter...

  8. Drift kinetic Alfvén wave in temperature anisotropic plasma

    SciTech Connect (OSTI)

    Naim, Hafsa, E-mail: roohi-phy@yahoo.com; Bashir, M. F. [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan) [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan); Department of Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan); Murtaza, G. [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan)] [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan)

    2014-03-15T23:59:59.000Z

    By using the gyrokinetic theory, the kinetic Alfvén waves (KAWs) are discussed to emphasize the drift effects through the density inhomogeneity and the temperature anisotropy on their dispersion characteristics. The dependence of stabilization mechanism of the drift-Alfvén wave instability on the temperature anisotropy is highlighted. The estimate of the growth rate and the threshold condition for a wide range of parameters are also discussed.

  9. Adiabatic trapping in coupled kinetic Alfven-acoustic waves

    SciTech Connect (OSTI)

    Shah, H. A.; Ali, Z. [Department of Physics, G.C. University, 54000 Lahore (Pakistan); Masood, W. [COMSATS, Institute of Information Technology, Park Road, Chak Shahzad, Islamabad 44000 (Pakistan); National Centre for Physics (NCP), Shahdara Valley Road, 44000 Islamabad (Pakistan); Theoretical Plasma Physics Division, P. O. Nilore, Islamabad (Pakistan)

    2013-03-15T23:59:59.000Z

    In the present work, we have discussed the effects of adiabatic trapping of electrons on obliquely propagating Alfven waves in a low {beta} plasma. Using the two potential theory and employing the Sagdeev potential approach, we have investigated the existence of arbitrary amplitude coupled kinetic Alfven-acoustic solitary waves in both the sub and super Alfvenic cases. The results obtained have been analyzed and presented graphically and can be applied to regions of space where the low {beta} assumption holds true.

  10. 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

    2012-07-10T23:59:59.000Z

    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.

  11. Master equation approach to protein folding and kinetic traps

    E-Print Network [OSTI]

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

    1998-04-21T23:59:59.000Z

    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.

  12. On the Physics of Kinetic-Alfven Turbulence

    E-Print Network [OSTI]

    Boldyrev, Stanislav

    2013-01-01T23:59:59.000Z

    Observations reveal nearly power-law spectra of magnetic and density plasma fluctuations at subproton scales in the solar wind, which indicates the presence of a turbulent cascade. We discuss the three-field and two-field models for micro-scale plasma fluctuations, and then present the results of numerical simulations of a two-field model of kinetic-Alfven turbulence, which models plasma motion at sub-proton scales.

  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), directly oxidized As(III). However, these studies did not explore the role that cation adsorption has on As at the birnessite-water interface were investigated using batch adsorption experiments (0.1 g L-1; pH 4.5 and 6.0; I

  14. Oxidation kinetics of by-product calcium sulfite

    E-Print Network [OSTI]

    Othman, Hasliza

    1992-01-01T23:59:59.000Z

    of Department) May 1992 ABSTRACT Oxidation Kinetics of By-product Calcium Sulfite. (May 1992) Hasliza Othman, B. S. , Texas A&M University Chair of Advisory Committee: Dr. Ahmed M. Gadalla The by-products obtained from the flue gas desulfurization (FGD..., suggestions and encouragement. TABLE OF CONTENTS CHAPTER Page I INTRODUCTION I I LITERATURE REVIEW A. Limestone Flue Gas Desulfurization Process . . . . . . . . . . . . B. Scaling Problem in the FGD Process...

  15. Nonlinear simplified model to study localization of kinetic Alfvén wave

    SciTech Connect (OSTI)

    Sharma, R. P., E-mail: rpsharma@ces.iitd.ac.in; Gaur, Nidhi, E-mail: nidhiphysics@gmail.com [Centre for Energy Studies, Indian Institute of Technology, Delhi 110016 (India)] [Centre for Energy Studies, Indian Institute of Technology, Delhi 110016 (India)

    2014-04-15T23:59:59.000Z

    We have presented the numerical simulation of the coupled equations governing the dynamics of kinetic Alfvén wave (KAW) and ion acoustic wave in the intermediate ? plasma, where ? is the ratio of thermal pressure to the background magnetic pressure. We have also developed a simplified model for this nonlinear interaction using the results obtained from the simulation to understand the physics of nonlinear evolution of KAW. Localization of magnetic field intensity of KAW has been studied by means of the simplified model.

  16. Consistent neutron kinetics data generation for nodal transient calculations

    SciTech Connect (OSTI)

    Akdeniz, B. [Penn State Univ., Nuclear Engineering Program, Univ. Park, PA 16802 (United States); Mueller, E.; Panayotov, D. [Westinghouse Electric Sweden, SE - 721 63 Vaesteraas (Sweden); Ivanov, K. N. [Penn State Univ., Nuclear Engineering Program, Univ. Park, PA 16802 (United States)

    2006-07-01T23:59:59.000Z

    Current three-dimensional transient codes for thermal reactors are mostly based on two-group diffusion-theory nodal models. In the two-group approach no explicit distinction is made between prompt fission neutrons and delayed neutrons. Consequently, effective delayed neutron fractions have traditionally been used in an attempt to compensate for this shortcoming. A fundamentally better approach would be to solve the nodal kinetics equations in a sufficient number of energy groups to explicitly capture neutron emission spectrum effects. However, this would require the availability of a multi-group nodal transient code as well as a lattice code to generate the appropriate multi-group nodal data for the simulator. One such simulator is the PARCS nodal transient code, which is widely used and recognized as representative of the current state-of-the-art. Unfortunately, a proper nodal data preparation path between PARCS and a lattice code is not available. Even though several industrial lattice codes could be considered as candidates, most of them are tailored to producing two-group nodal data and would require modifications to produce multi-group prompt and delayed neutron emission spectra. In this paper, the particular modifications required to match the TransLAT lattice code and the PARCS nodal transient code for BWR transient applications are reported. Some modifications to PARCS were also required to make two-group and multi-group applications fully consistent. Numerical results are presented both to verify the proper functioning of these modifications and to illuminate the impact of various nodal kinetics data approximations in a selected transient calculation. In particular, the significance of blending rodded and un-rodded kinetics data in partially rodded nodes is demonstrated. It is also confirmed that the use of delayed neutron importance factors in two-group calculations notably reduces the differences between two-group and multi-group kinetics calculations. (authors)

  17. Kinetics of scrap tyre pyrolysis under vacuum conditions

    SciTech Connect (OSTI)

    Lopez, Gartzen; Aguado, Roberto [Departamento de Ingenieria Quimica, Universidad del Pais Vasco, Apartado 644, 48080 Bilbao (Spain); Olazar, Martin [Departamento de Ingenieria Quimica, Universidad del Pais Vasco, Apartado 644, 48080 Bilbao (Spain)], E-mail: martin.olazar@ehu.es; Arabiourrutia, Miriam; Bilbao, Javier [Departamento de Ingenieria Quimica, Universidad del Pais Vasco, Apartado 644, 48080 Bilbao (Spain)

    2009-10-15T23:59:59.000Z

    Scrap tyre pyrolysis under vacuum is attractive because it allows easier product condensation and control of composition (gas, liquid and solid). With the aim of determining the effect of vacuum on the pyrolysis kinetics, a study has been carried out in thermobalance. Two data analysis methods have been used in the kinetic study: (i) the treatment of experimental data of weight loss and (ii) the deconvolution of DTG (differential thermogravimetry) curve. The former allows for distinguishing the pyrolysis of the three main components (volatile components, natural rubber and styrene-butadiene rubber) according to three successive steps. The latter method identifies the kinetics for the pyrolysis of individual components by means of DTG curve deconvolution. The effect of vacuum in the process is significant. The values of activation energy for the pyrolysis of individual components of easier devolatilization (volatiles and NR) are lower for pyrolysis under vacuum with a reduction of 12 K in the reaction starting temperature. The kinetic constant at 503 K for devolatilization of volatile additives at 0.25 atm is 1.7 times higher than that at 1 atm, and that corresponding to styrene-butadiene rubber at 723 K is 2.8 times higher. Vacuum enhances the volatilization and internal diffusion of products in the pyrolysis process, which contributes to attenuating the secondary reactions of the repolymerization and carbonization of these products on the surface of the char (carbon black). The higher quality of carbon black is interesting for process viability. The large-scale implementation of this process in continuous mode requires a comparison to be made between the economic advantages of using a vacuum and the energy costs, which will be lower when the technologies used for pyrolysis require a lower ratio between reactor volume and scrap tyre flow rate.

  18. Chemical Kinetic Modeling of Combustion of Automotive Fuels

    SciTech Connect (OSTI)

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

    2006-11-10T23:59:59.000Z

    The objectives of this report are to: (1) Develop detailed chemical kinetic reaction models for components of fuels, including olefins and cycloalkanes used in diesel, spark-ignition and HCCI engines; (2) Develop surrogate mixtures of hydrocarbon components to represent real fuels and lead to efficient reduced combustion models; and (3) Characterize the role of fuel composition on production of emissions from practical automotive engines.

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

    E-Print Network [OSTI]

    Sierra Ramirez, Rocio

    2012-02-14T23:59:59.000Z

    biomass is one of the most promising feedstocks for producing biofuels through fermentation processes. Among lignocellulose choices, poplar wood is appealing because of high energy potential, above-average carbon mitigation potential, fast growth... 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...

  20. A kinetic model for the liquefaction of Texas lignite 

    E-Print Network [OSTI]

    Haley, Sandra Kay

    1980-01-01T23:59:59.000Z

    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...

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

    SciTech Connect (OSTI)

    K.C. Kwon

    2002-01-01T23:59:59.000Z

    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 MCRH-67 was examined in this report. This sorbent was obtained from the Research Triangle Institute (RTI). The sorbent in the form of 130 mm particles are reacted with 18000-ppm hydrogen sulfide at 350-525 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.

  2. 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)

    2013-03-15T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    K. Atazadeh; F. Darabi

    2015-04-18T23:59:59.000Z

    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.

  4. Kinetics of adsorption of uranium from seawater by humic acids

    SciTech Connect (OSTI)

    Heitkamp, D. (Institut fuer Chemie Der Kernforschungsanlage Juelich (West Germany)); Wagener, K. (Lehrstuhl fuer Biophysik der Technischen Hochschule, Aachen (West Germany))

    1990-04-01T23:59:59.000Z

    The kinetics of the adsorption of uranium from seawater by humic acids fixed onto a polymer matrix was measured in a fluidized bed as a function of the grain size of the adsorbent and the flow velocity of the seawater. The adsorption rate was found to be governed by the diffusion of the uranium ions through the hydrodynamic surface layer of the adsorbent which is always formed in laminar flows of liquids. The measured rate constants are interpreted in terms of effective diffusion coefficients of 3.6 {times} 10{sup {minus}5} cm{sup 2}/s for uranyl ions and 1.8 {times} 10{sup {minus}5} cm{sup 2}/s for tricarbonatouranate ions in the surface layer. As a consequence of this kinetic behavior, the geometry of the adsorbent as well as the velocity of the water flow are relevant parameters for the amount of adsorbent needed for a projected extraction rate. This conclusion applies to all adsorption processes where diffusion through the hydrodynamic layer is the rate-determining kinetic step.

  5. Isothermal nitridation kinetics of TiSi{sub 2} powders

    SciTech Connect (OSTI)

    Roger, J., E-mail: roger@lcts.u-bordeaux1.fr; Maillé, L.; Dourges, M.A.

    2014-04-01T23:59:59.000Z

    The aim of the present work is to determine the kinetics of reaction between TiSi{sub 2} powder and gaseous nitrogen. Isothermal nitridation of TiSi{sub 2} powders with fine (1.4 µm) and medium (4.5 µm) particle size has been studied in pure nitrogen atmosphere from 1000 to 1200 °C for duration up to 50 h. The isothermal nitridation kinetics of TiSi{sub 2} powders were investigated by thermogravimetry. The nitridation rate strongly depends on the particle size and temperature. Smaller size particle exhibits higher nitridation rate due to its larger surface area. The conversion process is complex with nucleation and growth of TiN at the surface of the grain and Si{sub 3}N{sub 4} inside the grain promoted by the Kirkendall effect with an influence of the volume increase. - Graphical abstract: Backscattered electrons image of a transverse TiSi{sub 2} grain nitrurated at 1100 °C for 50 h. - Highlights: • Influence of grain size on TiSi{sub 2} powder nitridation. • Influence of temperature on TiSi{sub 2} powder nitridation. • Experimental measurements of the nitridation kinetics. • An explanation of the nitridation mechanism.

  6. The Harrison Diffusion Kinetics Regimes in Solute Grain Boundary Diffusion

    SciTech Connect (OSTI)

    Belova, Irina [University of Newcastle, NSW, Australia; Fiedler, T [University of Newcastle, NSW, Australia; Kulkarni, Nagraj S [ORNL; Murch, Prof. Graeme [University of Newcastle, NSW, Australia

    2012-01-01T23:59:59.000Z

    Knowledge of the limits of the principal Harrison kinetics regimes (Type-A, B and C) for grain boundary diffusion is very important for the correct analysis of the depth profiles in a tracer diffusion experiment. These regimes for self-diffusion have been extensively studied in the past by making use of the phenomenological Lattice Monte Carlo (LMC) method with the result that the limits are now well established. The relationship of those self-diffusion limits to the corresponding ones for solute diffusion in the presence of solute segregation to the grain boundaries remains unclear. In the present study, the influence of solute segregation on the limits is investigated with the LMC method for the well-known parallel grain boundary slab model by showing the equivalence of two diffusion models. It is shown which diffusion parameters are useful for identifying the limits of the Harrison kinetics regimes for solute grain boundary diffusion. It is also shown how the measured segregation factor from the diffusion experiment in the Harrison Type-B kinetics regime may differ from the global segregation factor.

  7. Kinetic study of bitumen release from heated shale

    SciTech Connect (OSTI)

    Butler, E.B.; Barker, C.

    1986-10-01T23:59:59.000Z

    With rising temperature shales evolve hydrocarbons discontinuously. At low temperatures, bitumens are thermally distilled (Peak 1) while at higher temperatures kerogen is pyrolyzed to lower molecular weight products (Peak 2). Hydrocarbon release occurring between these two peaks is less well understood. They have studied the kinetics of thermal bitumen release (Peak 1) from samples of the Excello and Woodford Shales and find that they are second order with activation energies of 19,000 cals/mole and 17,048 cals/ mole, respectively. The thermal release of nC/sub 26/ adsorbed on a siliceous support also followed second order kinetics. Activation energies, along with the determined Arrhenius A factor, permits the calculation of Peak 1 shape so that its contribution can be subtracted from the total hydrocarbon release. The residual curve shows two smaller peaks between the bitumen and kerogen peaks. These are tentatively assigned to adsorption on the mineral matrix and adsorption on kerogen. An important consequence of second order kinetics is that the temperature for the Peak 1 maximum varies with the amount of bitumen in the rock.

  8. Hydrotreating process kinetics for bitumen and bitumen-derived liquids

    SciTech Connect (OSTI)

    Kwak, S.; Longstaff, D.C.; Deo, M.D.; Hanson, F.V.

    1993-03-01T23:59:59.000Z

    Hydrodenitrogenation, hydrodesulfurization and resid conversion data for the Whiterocks bitumen and bitumen-derived liquid were analyzed using a modified power rate law model. The model incorporated the space velocity and pressure since the plug flow equation may not be applicable to laboratory-scale reactors in which complete wetting of the catalyst may not be attained. The data were obtained with the reactor operating as a fixed bed reactor in the upflow mode. The space velocity (WHSV{sup {alpha}}) term was included to account for deviations from plug flow behavior. The exponents (a,p) and the kinetic parameters were obtained by combined non-linear regression and ODE solver techniques for the analysis of laboratory data. A simple nth order power rate law expression for hydrodenitrogenation and hydrodesulfurization was examined. The higher than first order kinetics for hydrodenitrogenation and hydrodesulfurization of the bitumen and bitumen-derived liquids were explained by invoking two parallel first-order reactions; one slow and the other fast. Parallel and consecutive reaction schemes were used to examine the extent of conversion of the resid fraction to middle distillate, gas oil and gasoline and the apparent kinetic parameters were determined. It was determined that the upflow operating mode was preferred to the trickle-bed mode in the laboratory reactor to insure plug flow behavior.

  9. Kinetics of Cd Release from Some Contaminated Calcareous Soils

    SciTech Connect (OSTI)

    Sajadi Tabar, S.; Jalali, M., E-mail: jalali@basu.ac.ir [Bu-Ali Sina University, Department of Soil Science, College of Agriculture (Iran, Islamic Republic of)

    2013-03-15T23:59:59.000Z

    Contamination of soils with heavy metals may pose long-term risk to groundwater quality leading to health implications. Bioavailability of heavy metals, like cadmium (Cd) is strongly affected by sorption and desorption processes. The release of heavy metals from contaminated soils is a major contamination risks to natural waters. The release of Cd from contaminated soils is strongly influenced by its mobility and bioavailability. In this study, the kinetics of Cd desorption from ten samples of contaminated calcareous soils, with widely varying physicochemical properties, were studied using 0.01 M EDTA extraction. The median percentage of Cd released was about 27.7% of the total extractable Cd in the soils. The release of Cd was characterized by an initial fast release rate (of labile fractions) followed by a slower release rate (of less labile fractions) and a model of two first-order reactions adequately describes the observed release of Cd from the studied soil samples. There was positive correlation between the amount of Cd released at first phase of release and Cd in exchangeable fraction, indicating that this fraction of Cd is the main fraction controlling the Cd in the kinetic experiments. There was strongly negative correlation between the amount of Cd released at first and second phases of release and residual fraction, suggesting that this fraction did not contribute in Cd release in the kinetic experiments. The results can be used to provide information for evaluation of Cd potential toxicity and ecological risk from contaminated calcareous soils.

  10. KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYSTHESIS

    SciTech Connect (OSTI)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski

    2005-09-29T23:59:59.000Z

    This report covers the third year of this research grant under the University Coal Research program. The overall objective of this project is to develop a comprehensive kinetic model for slurry phase Fischer-Tropsch synthesis (FTS) on iron catalysts. This model will be validated with experimental data obtained in a stirred tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict molar flow rates and concentrations of all reactants and major product species (H{sub 2}O, CO{sub 2}, linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the reporting period we utilized experimental data from the STSR, that were obtained during the first two years of the project, to perform vapor-liquid equilibrium (VLE) calculations and estimate kinetic parameters. We used a modified Peng-Robinson (PR) equation of state (EOS) with estimated values of binary interaction coefficients for the VLE calculations. Calculated vapor phase compositions were in excellent agreement with experimental values from the STSR under reaction conditions. Occasional discrepancies (for some of the experimental data) between calculated and experimental values of the liquid phase composition were ascribed to experimental errors. The VLE calculations show that the vapor and the liquid are in thermodynamic equilibrium under reaction conditions. Also, we have successfully applied the Levenberg-Marquardt method (Marquardt, 1963) to estimate parameters of a kinetic model proposed earlier by Lox and Froment (1993b) for FTS on an iron catalyst. This kinetic 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. It predicts that the chain growth parameter ({alpha}) and olefin to paraffin ratio are independent of carbon number, whereas our experimental data show that they vary with the carbon number. Predicted molar flow rates of inorganic species, n-paraffins and total olefins were generally not in good agreement with the corresponding experimental values. In the future we'll use kinetic models based on non-constant value of {alpha}.

  11. Publicado en Diciembre 2011

    E-Print Network [OSTI]

    Eirin Lopez, Jose Maria

    empaque- - tario en el núcleo celular. Sin embargo, su papel excede con también el metabolismo del for- mar un dímero necesario para empaquetar el ADN en el núcleo celular. Las histonas proporcionan la

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

    E-Print Network [OSTI]

    Andreas Carlson; L. Mahadevan

    2015-05-26T23:59:59.000Z

    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. Direct comparison with experiment shows that passive elastohydrodynamics and kinetics of protein binding in the synaptic cleft can describe the short-time formation and organization of protein clusters, without evoking any active processes in the cytoskeleton. Despite the apparent complexity of the process, our analysis highlights the role of just two dimensionless parameters that characterize the spatial and temporal evolution of the protein pattern: a ratio of membrane elasticity to protein elasticity, and the ratio of a hydrodynamic time scale for fluid flow relative to the protein binding rate, and we present a simple phase diagram that encompasses the variety of patterns that can arise.

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

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  14. 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)

    1997-10-01T23:59:59.000Z

    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.}

  15. Kinetics of beneficiated fly ash by carbon burnout

    SciTech Connect (OSTI)

    Okoh, J.M.; Dodoo, J.N.D.; Diaz, A. [Univ. of Maryland Eastern Shore, Princess Anne, MD (United States). Dept. of Natural Sciences; Ferguson, W.; Udinskey, J.R. Jr.; Christiana, G.A. [Delmarva Power, Wilmington, DE (United States)

    1997-12-31T23:59:59.000Z

    The presence of carbon in fly ash requires an increase in the dosage of the air-entraining admixture for concrete mix, and may cause the admixture to lose efficiency. Specifying authorities for the concrete producers have set maximum allowable levels of residual carbon. These levels are the so called Loss On Ignition (LOI). The concrete producers` day-to-day purchasing decisions sets the LOI at 4%. The objective of the project is to investigate the kinetics of oxidation of residual carbon present in coal fly ash as a possible first step toward producing low-carbon fly ash from high-carbon, low quality fly ash.

  16. Evaluation of kinetic phosphorescence analysis for the determination of uranium

    SciTech Connect (OSTI)

    Croatto, P.V.; Frank, I.W.; Johnson, K.D.; Mason, P.B.; Smith, M.M.

    1997-12-01T23:59:59.000Z

    In the past, New Brunswick Laboratory (NBL) has used a fluorometric method for the determination of sub-microgram quantities of uranium. In its continuing effort to upgrade and improve measurement technology, NBL has evaluated the commercially-available KPA-11 kinetic phosphorescence analyzer (Chemchek, Richland, WA). The Chemchek KPA-11 is a bench-top instrument which performs single-measurement, quench-corrected analyses for trace uranium. It incorporates patented kinetic phosphorimetry techniques to measure and analyze sample phosphorescence as a function of time. With laser excitation and time-corrected photon counting, the KPA-11 has a lower detection limit than conventional fluorometric methods. Operated with a personal computer, the state-of-the-art KPA-11 offers extensive time resolution and phosphorescence lifetime capabilities for additional specificity. Interferences are thereby avoided while obtaining precise measurements. Routine analyses can be easily and effectively accomplished, with the accuracy and precision equivalent to the pulsed-laser fluorometric method presently performed at NBL, without the need for internal standards. Applications of kinetic phosphorimetry at NBL include the measurement of trace level uranium in retention tank, waste samples, and low-level samples. It has also been used to support other experimental activities at NBL by the measuring of nanogram amounts of uranium contamination (in blanks) in isotopic sample preparations, and the determining of elution curves of different ion exchange resins used for uranium purification. In many cases, no pretreatment of samples was necessary except to fume them with nitric acid, and then to redissolve and dilute them to an appropriate concentration with 1 M HNO{sub 3} before measurement. Concentrations were determined on a mass basis ({micro}g U/g of solution), but no density corrections were needed since all the samples (including the samples used for calibration) were in the same density matrix (1 M HNO{sub 3}). A statistical evaluation of the determination of uranium using kinetic phosphorimetry is described in this report, along with a discussion of the method, and an evaluation of the use of plastic versus quartz cuvettes. Measurement with a precision of {+-} 3--4% relative standard deviation (RSD) and an accuracy of better than {+-} 2% relative difference (RD) are obtained in the 0.0006 to 5 {micro}g U/g-solution range. The instrument detection limit is 0.04 ppb (4 x 10{sup {minus}5} {micro}g U/g solution) using quartz cells, and 0.11 ppb (11 x 10{sup {minus}5} {micro}g U/g solution) using disposable methacrylate cuvettes.

  17. Kinetic studies of the hydrolysis of organophosphate insecticides by phosphotriesterase

    E-Print Network [OSTI]

    Zaitoun, Basel M.

    2002-01-01T23:59:59.000Z

    analogue. 14 The reaction of a thiol group with DTNB . . 20 The spectra of some of the P-0 bond-containing organophosphate insecticides and their hydrolysis products . . . The kinetic plots of the OP substrates where the rate of hydrolysis is plotted... and the efficiency in the 9 catalytic activity make PTE a potentially viable tool for the hydrolytic detoxification of OP insecticides-contaminated soils. ' Scheme 2 [I R, O ? & ? ORB 0 Not Present Oximes (P2-AM) D ? N=HC~Q CHa l II D H Late-coming Oxtme...

  18. A microfluidic device for investigating crystal nucleation kinetics

    E-Print Network [OSTI]

    Philippe Laval; Jean-Baptiste Salmon; Mathieu Joanicot

    2006-12-20T23:59:59.000Z

    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.

  19. In situ study of reaction kinetics using compressed sensing NMR

    E-Print Network [OSTI]

    Wu, Yuting; D’Agostino, Carmine; Holland, Daniel J.; Gladden, Lynn F.

    2014-10-02T23:59:59.000Z

    and product species. The evaluation of kinetic models, rate of reaction and product distribution in chemical processes is of widespread importance in catalyst selection, process optimization and reactor design. Ideally, these studies should be carried out non... are acquired than traditional Nyquist sampling theory requires.10 It has pre- viously been used with undersampled, multi-dimensional NMR spectroscopy.11,12 We demonstrate the principle of CS-NMR for tracking chemical reactions by using 2D 1H–1H COSY spectra...

  20. A kinetic model for the liquefaction of Texas lignite

    E-Print Network [OSTI]

    Haley, Sandra Kay

    1980-01-01T23:59:59.000Z

    shortages in the United States has led to investigations in alternative energy sources. Of particular interest is the lignite resource in Texas which is mainly situated in the east and central regions north of the Colorado River. There is an estimated...A KINETIC MODEL FOR THE LIQUEFACTION OF TEXAS LIGNITE 4 Thesis by SANDRA KAY BALKY Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement for the degree of MASTER OF SCIENCE y 1980 Major Subject...

  1. Electron kinetics in a microdischarge in nitrogen at atmospheric pressure

    SciTech Connect (OSTI)

    Levko, Dmitry [LAPLACE (Laboratoire Plasma et Conversion d'Energie), Universite de Toulouse, UPS, INPT Toulouse, 118 route de Narbonne, F-31062 Toulouse cedex 9 (France)] [LAPLACE (Laboratoire Plasma et Conversion d'Energie), Universite de Toulouse, UPS, INPT Toulouse, 118 route de Narbonne, F-31062 Toulouse cedex 9 (France)

    2013-12-14T23:59:59.000Z

    Electron kinetics during a microdischarge in nitrogen at atmospheric pressure is studied using the one-dimensional Particle-in-Cell/Monte Carlo Collisions model. It is obtained that the electron energy distribution function can be divided into three parts, namely, the non-equilibrium low-energy part, the Maxwellian function at moderate energies, and the high-energy tail. Simulation results showed that the role of the high-energy tail of electron energy distribution increases, when the distance between electrodes increases.

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

    SciTech Connect (OSTI)

    Dedyulin, Sergey N., E-mail: sdedyuli@uwo.ca; Goncharova, Lyudmila V. [Department of Physics and Astronomy, The University of Western Ontario, 1151 Richmond St., London, Ontario N6A 3K7 (Canada)

    2014-03-24T23:59:59.000Z

    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.

  3. Kinetics of aluminum fluoride complexation in acidic waters

    SciTech Connect (OSTI)

    Plankey, B.J.; Patterson, H.H.; Cronan, C.S.

    1986-02-01T23:59:59.000Z

    Acidic deposition has an important effect on the transport and speciation of soluble aluminum. Toxicity of aqueous aluminum seems to be strongly dependent on aluminum speciation and the presence of complexing ligands such as fluoride. A study is reported of the complex formation kinetics of AlF/sup 2 +/ in the environmentally significant pH range 2.9-4.9. The pH and temperature dependencies of the overall rate of reaction are discussed along with environmental implications for areas subjected to acidic deposition. 22 references, 6 figures, 4 tables.

  4. Convergent synthesis of proteins by kinetically controlled ligation

    DOE Patents [OSTI]

    Kent, Stephen (Chicago, IL); Pentelute, Brad (Chicago, IL); Bang, Duhee (Boston, MA); Johnson, Erik (Chicago, IL); Durek, Thomas (Chicago, IL)

    2010-03-09T23:59:59.000Z

    The present invention concerns methods and compositions for synthesizing a polypeptide using kinetically controlled reactions involving fragments of the polypeptide for a fully convergent process. In more specific embodiments, a ligation involves reacting a first peptide having a protected cysteyl group at its N-terminal and a phenylthioester at its C-terminal with a second peptide having a cysteine residue at its N-termini and a thioester at its C-termini to form a ligation product. Subsequent reactions may involve deprotecting the cysteyl group of the resulting ligation product and/or converting the thioester into a thiophenylester.

  5. Electromigration kinetics and critical current of Pb-free interconnects

    SciTech Connect (OSTI)

    Lu, Minhua; Rosenberg, Robert [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

    2014-04-07T23:59:59.000Z

    Electromigration kinetics of Pb-free solder bump interconnects have been studied using a single bump parameter sweep technique. By removing bump to bump variations in structure, texture, and composition, the single bump sweep technique has provided both activation energy and power exponents that reflect atomic migration and interface reactions with fewer samples, shorter stress time, and better statistics than standard failure testing procedures. Contact metallurgies based on Cu and Ni have been studied. Critical current, which corresponds to the Blech limit, was found to exist in the Ni metallurgy, but not in the Cu metallurgy. A temperature dependence of critical current was also observed.

  6. Kinetic modeling and reactor simulation in hydrodesulfurization of oil factions

    SciTech Connect (OSTI)

    Froment, G.F.; Depauw, G.A.; Vanrysselberghe, V. (Univ. Gent (Belgium). Lab. voor Petrochemische Techniek)

    1994-12-01T23:59:59.000Z

    An adiabatic multiphase reactor for diesel hydrodesulfurization (HDS) was simulated with a one-dimensional heterogeneous model. A diesel-type mixture containing benzothiophene, dibenzothiophene, and 4,6-dimethyldibenzothiophene as sulfur components and quinoline as nitrogen components was chosen as feed. A kinetic modeling for the HDS of dibenzothiophene and alkyl-substituted dibenzothiophenes based upon structural contributions was developed. According to a molecular approach the total number of rate and adsorption parameters for the HDS of a set of (substituted)-dibenzothiophenes is 1,133. In the structural contribution approach introduced here the total number of parameters has been reduced to 93.

  7. Microsecond Microfluidic Mixing for Investigation of Protein Folding Kinetics

    SciTech Connect (OSTI)

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

    2005-02-10T23:59:59.000Z

    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.

  8. Microsecond Microfluidic Mixing for Investigation of Protein Folding Kinetics

    SciTech Connect (OSTI)

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

    2003-06-25T23:59:59.000Z

    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.

  9. Kinetics of proton pumping in cytochrome c oxidase

    E-Print Network [OSTI]

    Anatoly Yu. Smirnov; Lev G. Mourokh; Franco Nori

    2009-12-04T23:59:59.000Z

    We propose a simple model of cytochrome c oxidase, including four redox centers and four protonable sites, to study the time evolution of electrostatically coupled electron and proton transfers initiated by the injection of a single electron into the enzyme. We derive a system of master equations for electron and proton state probabilities and show that an efficient pumping of protons across the membrane can be obtained for a reasonable set of parameters. All four experimentally observed kinetic phases appear naturally from our model. We also calculate the dependence of the pumping efficiency on the transmembrane voltage at different temperatures and discuss a possible mechanism of the redox-driven proton translocation.

  10. Kinetic study of ion-acoustic plasma vortices

    SciTech Connect (OSTI)

    Khan, S. A. [National Centre for Physics (NCP), Quaid-i-Azam University Campus, Islamabad 45320 (Pakistan); Aman-ur-Rehman, E-mail: amansadiq@gmail.com [Pakistan Institute of Engineering and Applied Sciences (PIEAS), P.O. Nilore, Islamabad 45650 (Pakistan); Mendonca, J. T. [IPFN, Instituto Superior Téchnico, Av. Rovisco Pais 1, 1049-001 Lisboa (Portugal)

    2014-09-15T23:59:59.000Z

    The kinetic theory of electron plasma waves with finite orbital angular momentum has recently been introduced by Mendonca. This model shows possibility of new kind of plasma waves and instabilities. We have extended the theory to ion-acoustic plasma vortices carrying orbital angular momentum. The dispersion equation is derived under paraxial approximation which exhibits a kind of linear vortices and their Landau damping. The numerical solutions are obtained and compared with analytical results which are in good agreement. The physical interpretation of the ion-acoustic plasma vortices and their Landau resonance conditions are given for typical case of Maxwellian plasmas.

  11. 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)

    2011-06-01T23:59:59.000Z

    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.

  12. Kinetics of Surface Enrichment: A Molecular Dynamics Study

    E-Print Network [OSTI]

    Prabhat K. Jaiswal; Sanjay Puri; Subir K. Das

    2010-11-29T23:59:59.000Z

    We use molecular dynamics (MD) to study the kinetics of surface enrichment (SE) in a stable homogeneous mixture (AB), placed in contact with a surface which preferentially attracts A. The SE profiles show a characteristic double-exponential behavior with two length scales: \\xi_-, which rapidly saturates to its equilibrium value, and \\xi_+, which diverges as a power-law with time (\\xi_+ \\sim t^\\theta). We find that hydrodynamic effects result in a crossover of the growth exponent from \\theta \\simeq 0.5 to \\theta \\simeq 1.0. There is also a corresponding crossover in the growth dynamics of the SE-layer thickness.

  13. Amber Kinetics, Inc. Smart Grid Demonstration Project | Open Energy

    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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual Siteof Energy 2,AUDITCaliforniaWeifangwikiAgouraAlbatechFuels JumpKinetics Jump

  14. UW's HoUse of KnoWledge To BeCoMe A ReAlITY

    E-Print Network [OSTI]

    Yetisgen-Yildiz, Meliha

    Can issues the faCe of diversity at the university of Washington fAll 2008 Big Picture BioEnErgy's the fa OSTERHOUT, '76, '78, UWAA President lOIS PRICE SPRATlEN, '76, UW Ombudsperson Emeritus and Ombudsperson

  15. Proton equilibration in the chloroplast modulates multiphasic kinetics of nonphotochemical quenching

    E-Print Network [OSTI]

    Proton equilibration in the chloroplast modulates multiphasic kinetics of nonphotochemical analysis demonstrates that multiphasic quenching re- laxation mainly reflects the existence of at least two

  16. Kinetics of Heterogeneous Reaction of CaCO3 Particles with Gaseous...

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

    of Humidity. Abstract: Heterogeneous reaction kinetics of gaseous nitric acid (HNO3) with calcium carbonate (CaCO3) particles was investigated using the Particle-on-Substrate...

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

    E-Print Network [OSTI]

    T. Mei

    2008-02-28T23:59:59.000Z

    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.

  18. Isothermal crystallization kinetics in simulated high-level nuclear waste glass

    SciTech Connect (OSTI)

    Vienna, J.D.; Hrma, P.; Smith, D.E. [Pacific Northwest National Lab., Richland, WA (United States)

    1997-12-31T23:59:59.000Z

    Crystallization kinetics of a simulated high-level waste (HLW) glass were measured and modelled. Kinetics of acmite growth in the standard HW39-4 glass were measured using the isothermal method. A time-temperature-transformation (TTT) diagram was generated from these data. Classical glass-crystal transformation kinetic models were empirically applied to the crystallization data. These models adequately describe the kinetics of crystallization in complex HLW glasses (i.e., RSquared = 0.908). An approach to measurement, fitting, and use of TTT diagrams for prediction of crystallinity in a HLW glass canister is proposed.

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

    SciTech Connect (OSTI)

    Georgiou, C. [Research Unit for Nanostructured Materials Systems, Cyprus University of Technology, P.O. Box 50329, 3603 Limassol (Cyprus); Leontiou, T. [Research Unit for Nanostructured Materials Systems, Cyprus University of Technology, P.O. Box 50329, 3603 Limassol (Cyprus); General Department, Frederich University, 1036 Nicosia (Cyprus); Kelires, P. C., E-mail: pantelis.kelires@cut.ac.cy [Research Unit for Nanostructured Materials Systems, Cyprus University of Technology, P.O. Box 50329, 3603 Limassol (Cyprus); Department of Mechanical and Materials Science Engineering, Cyprus University of Technology, P.O. Box 50329, 3603 Limassol (Cyprus)

    2014-07-15T23:59:59.000Z

    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.

  20. Alterations in glucose kinetics induced by pentobarbital anesthesia

    SciTech Connect (OSTI)

    Lang, C.H.; Bagby, G.J.; Hargrove, D.M.; Hyde, P.M.; Spitzer, J.J. (Louisiana State Univ. Medical Center, New Orleans (USA))

    1987-12-01T23:59:59.000Z

    Because pentobarbital is often used in investigations related to carbohydrate metabolism, the in vivo effect of this drug on glucose homeostasis was studied. Glucose kinetics assessed by the constant intravenous infusion of (6-{sup 3}H)- and (U-{sup 14}C)glucose, were determined in three groups of catheterized fasted rats: conscious, anesthetized and body temperature maintained, and anesthetized but body temperature not maintained. After induction of anesthesia, marked hypothermia developed in rats not provided with external heat. Anesthetized rats that developed hypothermia showed a decrease in mean arterial blood pressure (25%) and heart rate (40%). Likewise, the plasma lactate concentration and the rates of glucose appearance, recycling, and metabolic clearance were reduced by 30-50% in the hypothermic anesthetized rats. Changes in whole-body carbohydrate metabolism were prevented when body temperature was maintained. Because plasma pentobarbital levels were similar between the euthermic and hypothermic rats during the first 2 h of the experiment, the rapid reduction in glucose metabolism in this latter group appears related to the decrease in body temperature. The continuous infusion of epinephrine produced alterations in glucose kinetics that were not different between conscious animals and anesthetized rats with body temperature maintained. Thus pentobarbital-anesthetized rats became hypothermic when kept at room temperature and exhibited marked decreases in glucose metabolism. Such changes were absent when body temperature was maintained during anesthesia.

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

    E-Print Network [OSTI]

    Xu, Aiguo; Zhang, Guangcai; Li, Yingjun

    2014-01-01T23:59:59.000Z

    To probe both the Mechanical Non-Equilibrium (MNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion procedure, a two-dimensional Multiple-Relaxation-Time (MRT) version of the 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. The LB model is required to recover the Navier-Stokes equations with chemical reaction in the hydrodynamic limit. To that aim, we construct a discrete velocity model with $24$ velocities divided into $3$ groups. In each group a flexible parameter is used to control the size of discrete velocities and a second parameter is used to describe the contribution of the extra degrees of freedom. 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...

  2. Hydro-kinetic approach to relativistic heavy ion collisions

    E-Print Network [OSTI]

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

    2008-08-28T23:59:59.000Z

    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.

  3. Kinetics and thermodynamics of hydrotreating synthetic middle distillates

    SciTech Connect (OSTI)

    Fisher, I.P. (Petro-Canada R and D Dept., Sheridan Park, Ontario (Canada)); Wilson, M.F. (CANMET, Ottawa, Ontario (Canada))

    1987-04-01T23:59:59.000Z

    Middle distillates from the Tar Sands deposits in Alberta are an important component of diesel and jet fuels in the Canadian market. Commercial catalysts based on sulfided Ni-Mo and Ni-W are currently used to hydrogenate synthetic distillates to improve the cetane number and smoke point. In previous work {sup 13}C NMR was used to study the kinetics of overall hydrogenation of aromatics over sulfided Co-Mo, Ni-Mo and Ni-W catalysts. Arrhenius parameters were obtained for hydrogenation over sulfided Ni-W catalyst for a similar distillate feedstock. In the latter study, mass spectrometry was used to quantitate the three major aromatic hydrocarbon group types in the feed and products. In this study, liquid products from hydrotreating experiments with a hydrotreated distillate from delayed coking of Athabasca bitumen and sulfided Co-Mo and Ni-Mo catalysts have been analyzed by mass spectrometry. This completes a preliminary comparison of the kinetics of hydrogenation of alkylbenzenes, benzocycloparaffins and benzodicycloparaffins, the three major aromatic hydrocarbon types in these distillates.

  4. Progress in Chemical Kinetic Modeling for Surrogate Fuels

    SciTech Connect (OSTI)

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

    2008-06-06T23:59:59.000Z

    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.

  5. Kinetics of thermal decomposition of surrogate solid wastes

    SciTech Connect (OSTI)

    Missoum, A.; Gupta, A.K.; Chen, J. [Univ. of Maryland, College Park, MD (United States); Keating, E.L. [Naval Surface Warfare Center, Annapolis, MD (United States)

    1996-12-31T23:59:59.000Z

    Decomposition behavior of different materials in a controlled environment at different heating rates are presented. The surrogate materials used are cellulose, polyethylene, polystyrene, polypropylene, nylon and bisphenol-A-polycarbonate. A series of tests were performed using a Perkin-Elmer 7 series thermal analysis system. Two heating rates of 10 C/minute and 100 C/minute were used. The temperature dependence and mass load characteristics of materials was obtained and used to obtain Arrhenius kinetic parameters and therefore the decomposition rates under defined conditions of pressure, temperature, environment, heating rate and waste composition. This information is helpful in characterizing and understanding the thermal decomposition properties of these materials during their thermal destruction. The decomposition rates are affected by the heating rate. The higher the heating rate the faster the decomposition. The results show that an increase in heating rate shifted thermal decomposition to higher temperatures and that the temperature at which maximum devolatilization began and ended was affected by heating rate. The kinetic parameters were calculated and the char yield from the different samples was less than 2% by weight except for polycarbonate which was around 5%. The remaining char in nylon and polycarbonate is attributed to the inert impurities in these materials. The thermal decomposition of the materials studied here could be related to their composition. It was found that polyethylene, polypropylene and polycarbonate have comparable decomposition rates over the same temperature range. Cellulose has the lowest decomposition rate and polystyrene has the highest.

  6. Kinetics of coal conversion to soluble products. Final technical report

    SciTech Connect (OSTI)

    Larsen, J.W.

    1994-04-12T23:59:59.000Z

    The objectives of this work are (1) to measure the kinetics of the conversion of coals to soluble products under model liquefaction conditions using GPS techniques to count the number of bonds broken; (2) to analyze these data using kinetic schemes based on the behavior of crosslinked macromolecular networks. The product was Soxhlet extracted with pyridine until the pyridine solution was clear. A gel permeation chromatogram of the pyridine soluble is shown in Figure 2A. The improved mass sensitive detector system requires only about 500 ng to acquire a chromatogram having fairly good S/N ratio. Apparently, no disturbance is caused by the remaining tetralin and naphthalene formed by dehydrogenation of tetralin. These seriously affect the lower molecular weight region when IR or UV detectors are used. It is a notable advantage of the mass sensitive detector that suitable adjustment of the nebulizer and of the evaporator completely suppressed the contribution of solvent to the chromatogram. The molecular weight distribution of liquefaction product appears to be almost unimodal if the small shoulder at the lower elution volume side is neglected.

  7. Photoinduced bimolecular electron transfer kinetics in small unilamellar vesicles

    SciTech Connect (OSTI)

    Choudhury, Sharmistha Dutta; Kumbhakar, Manoj; Nath, Sukhendu; Pal, Haridas [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2007-11-21T23:59:59.000Z

    Photoinduced electron transfer (ET) from N,N-dimethylaniline to some coumarin derivatives has been studied in small unilamellar vesicles (SUVs) of the phospholipid, DL-{alpha}-dimyristoyl-phosphatidylcholine, using steady-state and time-resolved fluorescence quenching, both below and above the phase transition temperature of the vesicles. The primary interest was to examine whether Marcus inversion [H. Sumi and R. A. Marcus, J. Chem. Phys. 84, 4894 (1986)] could be observed for the present ET systems in these organized assemblies. The influence of the topology of SUVs on the photophysical properties of the reactants and consequently on their ET kinetics has also been investigated. Absorption and fluorescence spectral data of the coumarins in SUVs and the variation of their fluorescence decays with temperature indicate that the dyes are localized in the bilayer of the SUVs. Time-resolved area normalized emission spectra analysis, however, reveals that the dyes are distributed in two different microenvironments in the SUVs, which we attribute to the two leaflets of the bilayer, one toward bulk water and the other toward the inner water pool. The microenvironments in the two leaflets are, however, not indicated to be that significantly different. Time-resolved anisotropy decays were biexponential for all the dyes in SUVs, and this has been interpreted in terms of the compound motion model according to which the dye molecules can experience a fast wobbling-in-cone type of motion as well as a slow overall rotating motion of the cone containing the molecule. The expected bimolecular diffusion-controlled rates in SUVs, as estimated by comparing the microviscosities in SUVs (determined from rotational correlation times) and that in acetonitrile solution, are much slower than the observed fluorescence quenching rates, suggesting that reactant diffusion (translational) does not play any role in the quenching kinetics in the present systems. Accordingly, clear inversions are observed in the correlation of the fluorescence quenching rate constants k{sub q} with the free energy change, {delta}G{sup 0} of the reactions. However, the coumarin dyes, C152 and C481 (cf. Scheme 1), show unusually high k{sub q} values and high activation barriers, which is not expected from Marcus ET theory. This unusual behavior is explained on the basis of participation of the twisted intramolecular charge transfer states of these two dyes in the ET kinetics.

  8. Kinetic and Pharmacological Properties of GABAA Receptors in Single Thalamic Neurons and GABAA Subunit Expression

    E-Print Network [OSTI]

    Huguenard, John R.

    Kinetic and Pharmacological Properties of GABAA Receptors in Single Thalamic Neurons and GABAA Subunit Expression S. H. BROWNE,1, * J. KANG,2, * G. AKK,2 L. W. CHIANG,1 H. SCHULMAN,1 J. R. HUGUENARD,2, and D. A. Prince. Kinetic and pharmacological prop- erties of GABAA receptors in single thalamic neurons

  9. Effect of 1918 PB1-F2 Expression on Influenza A Virus Infection Kinetics

    E-Print Network [OSTI]

    Adler, Fred

    Effect of 1918 PB1-F2 Expression on Influenza A Virus Infection Kinetics Amber M. Smith1 al. (2011) Effect of 1918 PB1-F2 Expression on Influenza A Virus Infection Kinetics. PLoS Comput Biol influenza A virus PR8 or a genetically engineered virus that expresses the 1918 PB1-F2 protein on a PR8

  10. Kinetic theory for dilute cohesive granular gases with a square well potential

    E-Print Network [OSTI]

    Satoshi Takada; Kuniyasu Saitoh; Hisao Hayakawa

    2015-06-15T23:59:59.000Z

    We develop the kinetic theory of dilute cohesive granular gases in which the attractive part is described by a square well potential. We derive the hydrodynamic equations from the kinetic theory with the microscopic expressions for the dissipation rate and the transport coefficients. We check the validity of our theory by performing the direct simulation Monte Carlo.

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

    E-Print Network [OSTI]

    Aluffi, Paolo

    Kinetic theory for ows of nonhomogeneous rodlike liquid crystalline polymers with a nonlocal University Beijing 100871, PR. China Abstract The Doi kinetic theory for ows of homogeneous, rodlike liquid-form stress expression accounting for the nonlo- cal molecular interaction, and (iv) an extra elastic body

  12. Kinetic Modeling Of Solid-Gas Reactions At Reactor Scale: A General Approach Loc Favergeon1

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    the knowledge of the kinetic model for the calculation of the speed of reaction in one part of the reactorKinetic Modeling Of Solid-Gas Reactions At Reactor Scale: A General Approach Loïc Favergeon1 favergeon@emse.fr ABSTRACT A rigorous simulation of industrial reactors in the case of solid-gas reacting

  13. 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

  14. ccsd00004518, Precipitation kinetics of Al 3 Zr and Al 3 Sc in

    E-Print Network [OSTI]

    , kinetics, aluminum alloys, cluster dynamics PACS: 64.60.Cn, 64.60.-i, 64.70.Kb, 64.75.+g 1 Introduction Transition elements are added to aluminum alloys so as to obtain small ordered precipitates and by this wayccsd­00004518, version 2 ­ 21 Mar 2005 Precipitation kinetics of Al 3 Zr and Al 3 Sc in aluminum

  15. Adsorption of colloidal particles by Brownian dynamics simulation: Kinetics and surface structures

    E-Print Network [OSTI]

    Gray, Jeffrey J.

    Adsorption of colloidal particles by Brownian dynamics simulation: Kinetics and surface structures or nanoscale particulate systems. We develop a new technique for simulating colloidal adsorption processes-limited adsorption. Long-time kinetics fit a 2/3-power law form P. Schaaf, A. Johner, and J. Talbot, Phys. Rev. Lett

  16. Kinetic effects of toluene blending on the extinction limit of n-decane diffusion flames

    E-Print Network [OSTI]

    Ju, Yiguang

    analyses of kinetic path ways and species transport on flame extinction were also conducted. The results and emission properties, such as the ignition delay times, extinction limits, flame speeds, species profilesKinetic effects of toluene blending on the extinction limit of n-decane diffusion flames Sang Hee

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

    E-Print Network [OSTI]

    Jarrell, Mark

    Kinetic Energy Driven Pairing in Cuprate Superconductors Th. A. Maier,1 M. Jarrell,2 A. Macridin,2, Tennessee 37831-6164, USA 2 Department of Physics, University of Cincinnati, Cincinnati Ohio 45221, USA 3 of the electronic potential energy accompanied by an increase in kinetic energy. In the underdoped cuprates, optical

  18. 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

  19. Preliminary studies of the influence of forces and kinetics on interfacial colloidal assembly

    E-Print Network [OSTI]

    Fernandes, Gregory

    2004-11-15T23:59:59.000Z

    of the requirements for the degree of MASTER OF SCIENCE August 2004 Major Subject: Chemical Engineering PRELIMINARY STUDIES OF THE INFLUENCE OF FORCES AND KINETICS ON INTERFACIAL COLLOIDAL ASSEMBLY A Thesis by GREGORY...) Kenneth Hall (Head of Department) Richard Crooks (Member) August 2004 Major Subject: Chemical Engineering iii ABSTRACT Preliminary Studies of the Influence of Forces and Kinetics on Interfacial Colloidal Assembly. (August 2004...

  20. Crystallization kinetics of amorphous NiTi shape memory alloy thin films

    E-Print Network [OSTI]

    Crystallization kinetics of amorphous NiTi shape memory alloy thin films Xi Wang, Joost J. Vlassak rights reserved. Keywords: Shape memory alloy thin films; Crystallization kinetics; Activation energy; Grain size 1. Introduction Shape memory alloys (SMAs) are active materials that derive their unique

  1. On the kinetic equation approach to pair production by time-dependent electric field

    E-Print Network [OSTI]

    A. M. Fedotov; E. G. Gelfer; K. Yu. Korolev; S. A. Smolyansky

    2010-08-12T23:59:59.000Z

    We investigate the quantum kinetic approach to pair production from vacuum by time-dependent electric field. Equivalence between this approach and the more familiar S-matrix approach is explicitly established for both scalar and fermion cases. For the particular case of a constant electric field exact solution for kinetic equations is provided and the accuracy of low-density approximation is estimated.

  2. Dissolution Kinetics of Calcium Carbonate Minerals A.V. Subhas1

    E-Print Network [OSTI]

    Simon, Emmanuel

    Dissolution Kinetics of Calcium Carbonate Minerals A.V. Subhas1 *, N.E. Rollins2 , W. Berelson2 , J@gps.caltech.edu We present a novel measurement of the dissolution kinetics of calcium carbonate minerals in seawater. These experiments significantly impact our understanding of calcium carbonate response to ocean acidification, water

  3. Kinetic Part-Feeding Models for Assembly Lines in Automotive Industries

    E-Print Network [OSTI]

    Noelle, Sebastian

    Kinetic Part-Feeding Models for Assembly Lines in Automotive Industries Michael Herty, Lena.ziegler@daimler.com. #12;KINETIC PART­FEEDING MODELS FOR ASSEMBLY LINES IN AUTOMOTIVE INDUSTRIES MICHAEL HERTY, LENA in automotive industries by models based on partial differential equations.The basic idea consists

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

    E-Print Network [OSTI]

    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

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

    E-Print Network [OSTI]

    Pratt, Vaughan

    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

  6. 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

  7. ON THE THERMODYNAMICS AND KINETICS OF THE COOPERATIVE BINDING OF BACTERIOPHAGE T4-

    E-Print Network [OSTI]

    Kowalczykowski, Stephen C.

    ON THE THERMODYNAMICS AND KINETICS OF THE COOPERATIVE BINDING OF BACTERIOPHAGE T4- CODED GENE 32 of thermodynamic, and preliminary kinetic, studies on the molecular details and specificity of interaction of phage into the molecular origins of binding cooperativity is obtained by determining these thermodynamic parameters also

  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. Rydberg and pulsed field ionization-zero electron kinetic energy spectra Colan Linton

    E-Print Network [OSTI]

    Morse, Michael D.

    Rydberg and pulsed field ionization-zero electron kinetic energy spectra of YO Colan Linton Physics, zero electron kinetic energy PFI-ZEKE investigation. The results provide accurate values of the ionization energy of YO, ionization energy I.E. YO 49 304.316 31 cm 1 6.112 958 4 eV , and of the rotational

  10. SPECIATION AND RELEASE KINETICS OF CADMIUM AND ZINC IN PADDY SOILS

    E-Print Network [OSTI]

    Sparks, Donald L.

    SPECIATION AND RELEASE KINETICS OF CADMIUM AND ZINC IN PADDY SOILS by Saengdao Khaokaew Rights Reserved #12;SPECIATION AND RELEASE KINETICS OF CADMIUM AND ZINC IN PADDY SOILS by Saengdao interest in soil science has been also fueled by the unfortunate Cd contamination that occurred

  11. EVAPORATION LAW IN KINETIC GRAVITATIONAL SYSTEMS DESCRIBED BY SIMPLIFIED LANDAU MODELS

    E-Print Network [OSTI]

    Méhats, Florian

    EVAPORATION LAW IN KINETIC GRAVITATIONAL SYSTEMS DESCRIBED BY SIMPLIFIED LANDAU MODELS PIERRE to a mathematical and numerical study of a simplified kinetic model for evaporation phenomena in gravitational) is the gravitational potential and (u) is the following 3 Ã? 3 matrix (u)ij = |u|2ij - uiuj |u|2 , (1.2) 1 #12;2 P

  12. Application of Uncertainty and Sensitivity Analysis to a Kinetic Model for Enzymatic Biodiesel Production

    E-Print Network [OSTI]

    Mosegaard, Klaus

    Application of Uncertainty and Sensitivity Analysis to a Kinetic Model for Enzymatic Biodiesel benefits of using uncertainty and sensitivity analysis in the kinetics of enzymatic biodiesel production, Monte-Carlo Simulations, Enzymatic Biodiesel 1. INTRODUCTION In order to determine the optimal

  13. Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels C.K. Westbrooka chemical kinetic reaction mechanism is developed for the five major components of soy biodiesel and rapeseed biodiesel fuels. These components, methyl stearate, methyl oleate, methyl linoleate, methyl

  14. Kinetic Modeling of Cellulosic Biomass to Ethanol Via Simultaneous Saccharification and

    E-Print Network [OSTI]

    California at Riverside, University of

    ARTICLE Kinetic Modeling of Cellulosic Biomass to Ethanol Via Simultaneous Saccharification and Fermentation: Part II. Experimental Validation Using Waste Paper Sludge and Anticipation of CFD AnalysisScience (www.interscience.wiley.com). DOI 10.1002/bit.22047 ABSTRACT: A kinetic model of cellulosic biomass

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

    E-Print Network [OSTI]

    Shay, Michael

    -point motions. Using 2.5D hybrid simula- tions, we drive the system magnetically and examine the evo- lution of turbulence generation through magnetic forcing is studied using kinetic hybrid simulations with fully kinetic in exciting turbulence and heating the plasma when the time period of the driving is larger than the nonlinear

  16. Development of a Rig and Testing Procedures for the Experimental Investigation of Horizontal Axis Kinetic Turbines

    E-Print Network [OSTI]

    Victoria, University of

    Kinetic Turbines by Catalina Lartiga B.Sc., Catholic University of Chile, 2001 A Thesis Submitted Turbines by Catalina Lartiga B.Sc., Catholic University of Chile, 2001 Supervisory Committee Dr. Curran system to characterize the non-dimensional performance coefficients of hor- izontal axis kinetic turbines

  17. Seasonal Modulation of Eddy Kinetic Energy and Its Formation Mechanism in the Southeast Indian Ocean

    E-Print Network [OSTI]

    Qiu, Bo

    energy and exert profound impacts on large-scale ocean circulations. Satellite altimeter ob- servations- sociations with the large-scale oceanic circulations and the climate. The global eddy kinetic energy (EKESeasonal Modulation of Eddy Kinetic Energy and Its Formation Mechanism in the Southeast Indian

  18. Advances in petascale kinetic plasma simulation with VPIC and Roadrunner

    SciTech Connect (OSTI)

    Bowers, Kevin J [Los Alamos National Laboratory; Albright, Brian J [Los Alamos National Laboratory; Yin, Lin [Los Alamos National Laboratory; Daughton, William S [Los Alamos National Laboratory; Roytershteyn, Vadim [Los Alamos National Laboratory; Kwan, Thomas J T [Los Alamos National Laboratory

    2009-01-01T23:59:59.000Z

    VPIC, a first-principles 3d electromagnetic charge-conserving relativistic kinetic particle-in-cell (PIC) code, was recently adapted to run on Los Alamos's Roadrunner, the first supercomputer to break a petaflop (10{sup 15} floating point operations per second) in the TOP500 supercomputer performance rankings. They give a brief overview of the modeling capabilities and optimization techniques used in VPIC and the computational characteristics of petascale supercomputers like Roadrunner. They then discuss three applications enabled by VPIC's unprecedented performance on Roadrunner: modeling laser plasma interaction in upcoming inertial confinement fusion experiments at the National Ignition Facility (NIF), modeling short pulse laser GeV ion acceleration and modeling reconnection in magnetic confinement fusion experiments.

  19. On a Broken Formal Symmetry between Kinetic and Gravitational Energy

    E-Print Network [OSTI]

    Armin Nikkhah Shirazi

    2014-07-16T23:59:59.000Z

    Historically, the discovery of symmetries has played an important role in the progress of our fundamental understanding of nature. This paper will demonstrate that there exists in Newtonian theory in a spherical gravitational field a formal symmetry between the kinetic (KE) and gravitational potential energy (GPE) of a test mass. Put differently, there exists a way of expressing GPE such that the form of the mathematical expression remains invariant under an interchange of KE and GPE. When extended to relativity by a suitable assumption, it leads to a framework that bridges the general relativistic and Newtonian conceptions of gravitational energy, even though the symmetry is broken except in the infinitesimal limit. Recognizing this symmetry at infinitesimal scales makes it possible to write a relativistic equation of an individual graviton, the properties of which under under one interpretation may be unexpected.

  20. Kinetic mechanism of chain folding in polymer crystallization

    E-Print Network [OSTI]

    S. Stepanow

    2014-09-22T23:59:59.000Z

    I develop a kinetic mechanism to explain chain folding in polymer crystallization which is based on the competition between the formation of stems, which is due to frequent occupations of trans states along the chains in the supercooled polymer melt, and the random coil structure of the polymer chains. Setting equal the average formation time of stems of length $% d_l$ with the Rouse time of a piece of polymer of the same arc length $d_l$ yields a lower bound for the thickness of stems and bundles. The estimated lamellar thickness is inversely proportional to the supercooling. The present approach emphasizes the importance of repulsive interactions in polymer crystallization, which are expected to be responsible for the logarithmic lamellar thickening and the increase of lamellar thickness with pressure. An expression for the growth rate is derived by considering the growth as a dynamic multistage process.

  1. Utilization of rotor kinetic energy storage for hybrid vehicles

    DOE Patents [OSTI]

    Hsu, John S. (Oak Ridge, TN)

    2011-05-03T23:59:59.000Z

    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.

  2. Atomistic Kinetic Monte Carlo Simulations of Polycrystalline Copper Electrodeposition

    E-Print Network [OSTI]

    Treeratanaphitak, Tanyakarn; Abukhdeir, Nasser Mohieddin

    2014-01-01T23:59:59.000Z

    A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N. M. Abukhdeir, Electrochim. Acta 121 (2014) 407--414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been extended to model polycrystalline metal electrodeposition. The presented KMC-EAM method enables true three-dimensional atomistic simulations of electrodeposition over experimentally relevant timescales. Simulations using KMC-EAM are performed over a range of overpotentials to predict the effect on deposit texture evolution. Results show strong agreement with past experimental results both with respect to deposition rates on various copper surfaces and roughness-time power law behaviour. It is found that roughness scales with time $\\propto t^\\beta$ where $\\beta=0.62 \\pm 0.12$, which is in good agreement with past experimental results. Furthermore, the simulations provide insights into sub-surface deposit morphologies which are not directly accessible from experimental measurements.

  3. Collective Modes of Chiral Kinetic Theory in Magnetic Field

    E-Print Network [OSTI]

    Mikhail Stephanov; Ho-Ung Yee; Yi Yin

    2014-12-31T23:59:59.000Z

    We study collective excitations in systems described by chiral kinetic theory in external magnetic field. We consider high-temperature weak-coupling plasma, as well as high-density Landau Fermi liquid with interaction not restricted to be weak. We show that chiral magnetic wave (CMW) emerges in hydrodynamic regime (at frequencies smaller than collision relaxation rate) and the CMW velocity is determined by thermodynamic properties only. We find that in a plasma of opposite chiralities, at frequencies smaller than the chirality-flipping rate, the CMW excitation turns into a vector-like diffusion mode. In the interacting Fermi liquid, the CMW turns into the Landau zero sound mode in the high-frequency collisionless regime.

  4. Collective Modes of Chiral Kinetic Theory in Magnetic Field

    E-Print Network [OSTI]

    Stephanov, Mikhail; Yin, Yi

    2015-01-01T23:59:59.000Z

    We study collective excitations in systems described by chiral kinetic theory in external magnetic field. We consider high-temperature weak-coupling plasma, as well as high-density Landau Fermi liquid with interaction not restricted to be weak. We show that chiral magnetic wave (CMW) emerges in hydrodynamic regime (at frequencies smaller than collision relaxation rate) and the CMW velocity is determined by thermodynamic properties only. We find that in a plasma of opposite chiralities, at frequencies smaller than the chirality-flipping rate, the CMW excitation turns into a vector-like diffusion mode. In the interacting Fermi liquid, the CMW turns into the Landau zero sound mode in the high-frequency collisionless regime.

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

    SciTech Connect (OSTI)

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

    2011-05-23T23:59:59.000Z

    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.

  6. Ultrahigh performance three-dimensional electromagnetic relativistic kinetic plasma simulation

    SciTech Connect (OSTI)

    Bowers, K. J.; Albright, B. J.; Yin, L.; Bergen, B.; Kwan, T. J. T. [Plasma Theory and Applications (X-1-PTA), Los Alamos National Laboratory, MS F699, P.O. Box 1663, Los Alamos, New Mexico 87545 (United States)

    2008-05-15T23:59:59.000Z

    The algorithms, implementation details, and applications of VPIC, a state-of-the-art first principles 3D electromagnetic relativistic kinetic particle-in-cell code, are discussed. Unlike most codes, VPIC is designed to minimize data motion, as, due to physical limitations (including the speed of light{exclamation_point}), moving data between and even within modern microprocessors is more time consuming than performing computations. As a result, VPIC has achieved unprecedented levels of performance. For example, VPIC can perform {approx}0.17 billion cold particles pushed and charge conserving accumulated per second per processor on IBM's Cell microprocessor--equivalent to sustaining Los Alamos's planned Roadrunner supercomputer at {approx}0.56 petaflop (quadrillion floating point operations per second). VPIC has enabled previously intractable simulations in numerous areas of plasma physics, including magnetic reconnection and laser plasma interactions; next generation supercomputers like Roadrunner will enable further advances.

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

    DOE Patents [OSTI]

    Reilly, Peter T.A.

    2014-05-13T23:59:59.000Z

    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. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOE Patents [OSTI]

    Reilly, Peter T. A. [Knoxville, TN

    2010-12-14T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Reilly, Peter T.A.

    2013-12-03T23:59:59.000Z

    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.

  10. Testing a dissipative kinetic k-essence model

    E-Print Network [OSTI]

    Cardenas, V H; Villanueva, J R

    2015-01-01T23:59:59.000Z

    In this work, we present a study of a purely kinetic k-essence model, characterized basically by a parameter $\\alpha$ in presence of a bulk dissipative term, whose relationship between viscous pressure $\\Pi$ and energy density $\\rho$ of the background follows a polytropic type law $\\Pi \\propto \\rho^{\\lambda+1/2}$, where $\\lambda$, in principle, is a parameter without restrictions. Analytical solutions for the energy density of the k-essence field are found in two specific cases: $\\lambda=1/2$ and $\\lambda=(1-\\alpha)/2\\alpha$, and then we show that these solutions posses the same functional form than the non-viscous counterpart. Finally, both approach are contrasted with observational data from type Ia supernova, and the most recent Hubble parameter measurements, and therefore, the best values for the parameters of the theory are founds.

  11. 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)

    2014-09-01T23:59:59.000Z

    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.

  12. Bootstrap percolation and kinetically constrained models on hyperbolic lattices

    E-Print Network [OSTI]

    François Sausset; Cristina Toninelli; Giulio Biroli; Gilles Tarjus

    2009-12-10T23:59:59.000Z

    We study bootstrap percolation (BP) on hyperbolic lattices obtained by regular tilings of the hyperbolic plane. Our work is motivated by the connection between the BP transition and the dynamical transition of kinetically constrained models, which are in turn relevant for the study of glass and jamming transitions. We show that for generic tilings there exists a BP transition at a nontrivial critical density, $0<\\rho_c<1$. Thus, despite the presence of loops on all length scales in hyperbolic lattices, the behavior is very different from that on Euclidean lattices where the critical density is either zero or one. Furthermore, we show that the transition has a mixed character since it is discontinuous but characterized by a diverging correlation length, similarly to what happens on Bethe lattices and random graphs of constant connectivity.

  13. Pulsed laser kinetic studies of liquids under high pressure

    SciTech Connect (OSTI)

    Eyring, E.M.

    1992-09-22T23:59:59.000Z

    A laser flash photolysis kinetic study of 2,2{prime}-bipyridine bidentate chelating ligands with one claw in the first coordination sphere of a molybdenum carbonyl complex has been completed at pressures up to 150 MPa. The reaction mechanism for thermal ring closure is found from activation volumes to change from associative interchange to dissociative interchange as substituents on the 2,2{prime}-bipyridine ligands become bulkier. In a similar study of more rigid, substituted phenanthroline bidentate ligands it was found that substituent bulkiness had little effect on the thermal ring closure mechanism. Stability constants for lithium ion complexes with crown ethers in a room temperature molten salt, fluorescence quantum yields for cresyl violet and several other dyes in solution, and the oxidation of alcohols by OsO{sub 4} have also been investigated.

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

    SciTech Connect (OSTI)

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

    2010-03-14T23:59:59.000Z

    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. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

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

    2008-10-30T23:59:59.000Z

    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.

  16. Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon Degradation

    SciTech Connect (OSTI)

    Bylaska, Eric J.

    2006-08-01T23:59:59.000Z

    Many different degradation reactions of chlorinated hydrocarbons are possible in natural ground waters. In order to identify which degradation reactions are important, a large number of possible reaction pathways must be sorted out. Recent advances in ab initio electronic structure methods have the potential to help identify relevant environmental degradation reactions by characterizing the thermodynamic properties of all relevant contaminant species and intermediates for which experimental data is usually not available, as well as provide activation energies for relevant pathways. In this paper, strategies based on ab initio electronic structure methods for estimating thermochemical and kinetic properties of reactions with chlorinated hydrocarbons are presented. Particular emphasis is placed on strategies that are computationally fast and can be used for large organochlorine compounds such as 4,4?-DDT.

  17. Modelling of heat transfer and crystallation kinetics in thermoplastic pultrusion

    SciTech Connect (OSTI)

    Carlsson, A.; Astroem, B.T. [Royal Institute of Technology, Stockholm (Sweden)

    1996-12-31T23:59:59.000Z

    While pultrusion with thermoset resins has been widely analyses, there is a scarcity of knowledge about pultrusion with thermoplastic resins. The objective of the present study is to develop a realistic heat transfer model for the entire thermoplastic pultrusion process, from room temperature prepreg, through preheater and dies, to room temperature composite. The aim is to determine dominating heat transfer mechanisms and to be able to predict residual stresses and crystallinity, which depend on the thermal history of the composite. A complete heat transfer model including crystallization kinetics is presented. Results show reasonably good agreement with experimental data and the model thus provides a tool for process simulations with a variety of processing parameters.

  18. The Gaussian Radial Basis Function Method for Plasma Kinetic Theory

    E-Print Network [OSTI]

    Hirvijoki, Eero; Belli, Emily; Embréus, Ola

    2015-01-01T23:59:59.000Z

    A fundamental macroscopic description of a magnetized plasma is the Vlasov equation supplemented by the nonlinear inverse-square force Fokker-Planck collision operator [Rosenbluth et al., Phys. Rev., 107, 1957]. The Vlasov part describes advection in a six-dimensional phase space whereas the collision operator involves friction and diffusion coefficients that are weighted velocity-space integrals of the particle distribution function. The Fokker-Planck collision operator is an integro-differential, bilinear operator, and numerical discretization of the operator is far from trivial. In this letter, we describe a new approach to discretize the entire kinetic system based on an expansion in Gaussian Radial Basis functions (RBFs). This approach is particularly well-suited to treat the collision operator because the friction and diffusion coefficients can be analytically calculated. Although the RBF method is known to be a powerful scheme for the interpolation of scattered multidimensional data, Gaussian RBFs also...

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

    E-Print Network [OSTI]

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

    2014-01-01T23:59:59.000Z

    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...

  20. Q-branch Raman scattering and modern kinetic thoery

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  1. Mesoscale Equipartition of kinetic energy in Quantum Turbulence

    E-Print Network [OSTI]

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

    2012-01-01T23:59:59.000Z

    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 ...

  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

    2010-02-19T23:59:59.000Z

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

    SciTech Connect (OSTI)

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

    1992-12-01T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

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

    1992-01-01T23:59:59.000Z

    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.

  5. Esta especie fue descubierta en 1999 en la vertiente norte

    E-Print Network [OSTI]

    Cuervo, Andrés

    356 Esta especie fue descubierta en 1999 en la vertiente norte de la cordillera Central en el después de la fragmentación (Terborgh 1974, Robinson 1999, Renjifo 1999). La vertiente norte de la

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

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2015-03-13T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2014-11-25T23:59:59.000Z

    To probe both the Mechanical Non-Equilibrium (MNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion procedure, a two-dimensional Multiple-Relaxation-Time (MRT) version of the 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. The LB model is required to recover the Navier-Stokes equations with chemical reaction in the hydrodynamic limit. To that aim, we construct a discrete velocity model with $24$ velocities divided into $3$ groups. In each group a flexible parameter is used to control the size of discrete velocities and a second parameter is used to describe the contribution of the extra degrees of freedom. 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. Via the MRT model, it is more convenient to track the effects of TNE and how the TNE influence the MNE behaviors. The model is verified and validated via well-known benchmark tests. It is found that around the detonation wave there are competition between the viscous effect, thermal diffusion effect and the gradient effects of physical quantities. Consequently, with decreasing the collision parameters, (i) the nonequilibrium region becomes wider and the gradients of physical quantities decrease; (ii) the position where the internal energy in the shocking degree of freedom equals the one averaged over all degrees of freedom moves away from the position for the von Neumann peak.

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

    E-Print Network [OSTI]

    Davide Flammini; Fabio Bruni; Maria Antonietta Ricci

    2009-01-28T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Ahn, Min

    2004-11-15T23:59:59.000Z

    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...

  10. En defensa de Elsinor

    E-Print Network [OSTI]

    Martí nez, Gloria Marí a

    1993-10-01T23:59:59.000Z

    no "cercena," sino asume e incorpora las necesidades de renovación, de búsqueda y experimentación. Varias generaciones de teatristas cubanos han alentado y aplicado su talento artístico a la realización de procesos creadores y de puestas en escena con... 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...

  11. 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

  12. 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.

    1996-05-01T23:59:59.000Z

    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.

  13. Plane shear flows of frictionless spheres: Kinetic theory and 3D Soft-Sphere Discrete Element Method simulations

    E-Print Network [OSTI]

    Boyer, Edmond

    in the expression of the dissipation rate. We show that the Extended Kinetic Theory is in very good agreementPlane shear flows of frictionless spheres: Kinetic theory and 3D Soft-Sphere Discrete Element of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly

  14. Kinetic theory and the FloryHuggins approximation P. L. Taylor, Yi-Kuo Yu, and X. Y. Wang

    E-Print Network [OSTI]

    Taylor, Philip L.

    to the Flory­ Huggins expression for the free energy of mixing of a polymer solution. The kinetic model that weKinetic theory and the Flory­Huggins approximation P. L. Taylor, Yi-Kuo Yu, and X. Y. Wang; accepted 3 April 1996 A kinetic approach is used to examine the structure of the approximations that lead

  15. An efficient high-order finite difference gas-kinetic scheme for the Euler and Navier-Stokes solutions

    E-Print Network [OSTI]

    Xu, Kun

    -kinetic scheme is constructed. Different from the previous high-order finite volume gas-kinetic method [Li, Xu) Preprint submitted to Elsevier April 17, 2013 #12;covers the gas evolution process from the particle free a new finite volume gas-kinetic scheme has been developed [27], which significantly reduces

  16. Lattice Boltzmann method and gas-kinetic BGK scheme in the low-Mach number viscous flow simulations

    E-Print Network [OSTI]

    Xu, Kun

    and collisions process. On the other hand, the gas-kinetic BGK scheme is a finite volume scheme, where the timeLattice Boltzmann method and gas-kinetic BGK scheme in the low-Mach number viscous flow simulations method (LBM) and the gas-kinetic BGK scheme are based on the numerical discretization of the Boltzmann

  17. 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

    2013-09-30T23:59:59.000Z

    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.

  18. Maximum-Entropy Closures for Kinetic Theories of Neuronal Network Dynamics

    SciTech Connect (OSTI)

    Rangan, Aaditya V.; Cai, David [Courant Institute of Mathematical Sciences, New York University, New York, New York 10012 (United States)

    2006-05-05T23:59:59.000Z

    We analyze (1+1)D kinetic equations for neuronal network dynamics, which are derived via an intuitive closure from a Boltzmann-like equation governing the evolution of a one-particle (i.e., one-neuron) probability density function. We demonstrate that this intuitive closure is a generalization of moment closures based on the maximum-entropy principle. By invoking maximum-entropy closures, we show how to systematically extend this kinetic theory to obtain higher-order (1+1)D kinetic equations and to include coupled networks of both excitatory and inhibitory neurons.

  19. KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYNTHESIS

    SciTech Connect (OSTI)

    Dragomir B. Bukur; Gilbert F. Froment; Lech Nowicki; Jiang Wang; Wen-Ping Ma

    2003-09-29T23:59:59.000Z

    This report covers the first year of this three-year research grant under the University Coal Research program. The overall objective of this project is to develop a comprehensive kinetic model for slurry phase Fischer-Tropsch synthesis on iron catalysts. This model will be validated with experimental data obtained in a stirred tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict concentrations of all reactants and major product species (H{sup 2}O, CO{sub 2}, linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the reporting period we have completed one STSR test with precipitated iron catalyst obtained from Ruhrchemie AG (Oberhausen-Holten, Germany). This catalyst was initially in commercial fixed bed reactors at Sasol in South Africa. The catalyst was tested at 13 different sets of process conditions, and had experienced a moderate deactivation during the first 500 h of testing (decrease in conversion from 56% to 50% at baseline process conditions). The second STSR test has been initiated and after 270 h on stream, the catalyst was tested at 6 different sets of process conditions.

  20. KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYNTHESIS

    SciTech Connect (OSTI)

    Dragomir B. Bukur

    2004-09-29T23:59:59.000Z

    This report covers the second year of this three-year research grant under the University Coal Research program. The overall objective of this project is to develop a comprehensive kinetic model for slurry phase Fischer-Tropsch synthesis on iron catalysts. This model will be validated with experimental data obtained in a stirred tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict concentrations of all reactants and major product species (H{sub 2}O, CO{sub 2}, linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the second year of the project we completed the STSR test SB-26203 (275-343 h on stream), which was initiated during the first year of the project, and another STSR test (SB-28603 lasting 341 h). Since the inception of the project we completed 3 STSR tests, and evaluated catalyst under 25 different sets of process conditions. A precipitated iron catalyst obtained from Ruhrchemie AG (Oberhausen-Holten, Germany) was used in all tests. This catalyst was used initially in commercial fixed bed reactors at Sasol in South Africa. Also, during the second year we performed a qualitative analysis of experimental data from all three STSR tests. Effects of process conditions (reaction temperature, pressure, feed composition and gas space velocity) on water-gas-shift (WGS) activity and hydrocarbon product distribution have been determined.

  1. Reaction rates for mesoscopic reaction-diffusion kinetics

    E-Print Network [OSTI]

    Stefan Hellander; Andreas Hellander; Linda Petzold

    2015-01-28T23:59:59.000Z

    The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework, frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are better suited, such as hard-sphere Brownian dynamics (BD). Although the RDME is a model in its own right, and not inferred from any specific microscale model, it proves useful to attempt to approximate a microscale model by a specific choice of mesoscopic reaction rates. In this paper we derive mesoscopic reaction rates by matching certain statistics of the RDME solution to statistics of the solution of a widely used microscopic BD model: the Smoluchowski model with a mixed boundary condition at the reaction radius of two molecules. We also establish fundamental limits for the range of mesh resolutions for which this approach yields accurate results, and show both theoretically and in numerical examples that as we approach the lower fundamental limit, the mesoscopic dynamics approach the microscopic dynamics.

  2. Collective transport of weakly interacting molecular motors with Langmuir kinetics

    E-Print Network [OSTI]

    Sameep Chandel; Abhishek Chaudhuri; Sudipto Muhuri

    2015-01-09T23:59:59.000Z

    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.

  3. 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)

    2013-04-15T23:59:59.000Z

    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.

  4. Kinetically Inhibited Order in a Diamond-Lattice Antiferromagnet

    SciTech Connect (OSTI)

    MacDougall, Gregory J [ORNL; Gout, Delphine J [ORNL; Zarestky, Jerel L [ORNL; Ehlers, Georg [ORNL; Podlesnyak, Andrey A [ORNL; McGuire, Michael A [ORNL; Mandrus, David [ORNL; Nagler, Stephen E [ORNL

    2011-01-01T23:59:59.000Z

    Frustrated magnetic systems exhibit highly degenerate ground states and strong fluctuations, often leading to new physics. An intriguing example of current interest is the antiferromagnet on a diamond lattice, realized physically in the A-site spinel materials. This is a prototypical system in three dimensions where frustration arises from competing interactions rather than purely geometric constraints, and theory suggests the possibility of novel order at low temperature. Here we present a comprehensive single crystal neutron scattering study CoAl2O4, a highly frustrated A-site spinel. We observe strong diffuse scattering that peaks at wavevectors associated with Neel ordering. Below the temperature T*=6.5K, there is a dramatic change in elastic scattering lineshape accompanied by the emergence of well-defined spin-wave excitations. T* had previously been associated with the onset of glassy behavior. Our new results suggest instead that in fact T* signifies a first-order phase transition, but with true long-range order inhibited by the kinetic freezing of domain walls. This scenario might be expected to occur widely in frustrated systems containing first-order phase transitions and is a natural explanation for existing reports of anomalous glassy behavior in other materials.

  5. 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

    2015-01-01T23:59:59.000Z

    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...

  6. Tracer diffusion at low temperature in kinetically constrained models

    E-Print Network [OSTI]

    Oriane Blondel

    2015-05-15T23:59:59.000Z

    We describe the motion of a tracer in an environment given by a kinetically constrained spin model (KCSM) at equilibrium. We check convergence of its trajectory properly rescaled to a Brownian motion and positivity of the diffusion coefficient $D$ as soon as the spectral gap of the environment is positive (which coincides with the ergodicity region under general conditions). Then we study the asymptotic behavior of $D$ when the density $1-q$ of the environment goes to $1$ in two classes of KCSM. For noncooperative models, the diffusion coefficient $D$ scales like a power of $q$, with an exponent that we compute explicitly. In the case of the Fredrickson-Andersen one-spin facilitated model, this proves a prediction made in Jung, Garrahan and Chandler [Phys. Rev. E 69 (2004) 061205]. For the East model, instead we prove that the diffusion coefficient is comparable to the spectral gap, which goes to zero faster than any power of $q$. This result contradicts the prediction of physicists (Jung, Garrahan and Chandler [Phys. Rev. E 69 (2004) 061205; J. Chem. Phys. 123 (2005) 084509]), based on numerical simulations, that suggested $D\\sim \\operatorname {gap}^{\\xi}$ with $\\xi<1$.

  7. 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)

    2009-04-03T23:59:59.000Z

    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.

  8. Kinetics of Conversion of High-level Waste to Glass

    SciTech Connect (OSTI)

    Izak, Pavel (ASSOC WESTERN UNIVERSITY); Hrma, Pavel R. (BATTELLE (PACIFIC NW LAB)); Schweiger, Michael J. (BATTELLE (PACIFIC NW LAB)); Heineman, W.R.; Eller, P.G.

    2001-01-01T23:59:59.000Z

    The kinetics of the conversion of high-level waste (HLW) feed to glass controls the rate of HLW processing. Simulated HLW feed and low silica - high sodium (LSHS) feed with co-precipitated Fe, Ni, Cr, and Mn hydroxides (to simulate the chemical and physical makeup of these components in the melter feed) were heated at constant temperature increase rates (0.4, 4, and 14?C/min), quenched at different stages of conversion, and analyzed with optical microscope, scanning electron microscope, and x-ray diffraction (XRD). Quartz, sodium nitrate, carnegieite (Na8Al4Si4O18), sodalite (Na8(AlSiO4)6(NO2)2), and spinel were identified in the samples. Mass fractions of these phases were determined as functions of the temperature and the heating rate. The fractions of nitrates and quartz decreased with increasing temperature, starting above 550?C and dropping to zero at 850?C. Spinel was present in the feed within the temperature interval from 350?C to 1050?C, peaking between 550 and 700?C. Sodalite (in HLW feed) and carnegieite (in LSHS feed) formed at temperatures above 600?C and then began to dissolve. TGA and DSC were use to determine the mass loss and the conversion heat as functions of temperature and heating rate and were compared with the reaction progress reached in quenched samples.

  9. Sigma phase formation kinetics in stainless steel laminate composites

    SciTech Connect (OSTI)

    Wenmen, D.W.; Olson, D.L.; Matlock, D.K. [Colorado School of Mines, Golden, CO (United States)] [and others

    1994-12-31T23:59:59.000Z

    Stainless steel laminate composites were made to simulate weld microstructures. The use of laminates with variations in chemical composition allows for one dimensional analysis of phase transformation associated with the more complex three-dimensional solidification experience of weld metal. Alternate layers of austenitic (304L and 316L) and ferritic (Ebrite) stainless steels allowed for the study of sigma phase formation at the austenite-ferrite interface in duplex stainless steel. Two austenitic stainless steels, 304L (18.5Cr-9.2Ni-0.3Mo) and 316L (16.2Cr-10.1Ni-2.6Mo), and one ferritic stainless steel, Ebrite (26.3Cr-0Ni-1.0Mo) were received in the form of sheet which was laboratory cold rolled to a final thickness of 0.25 mm (0.030 in.). Laminate composites were prepared by laboratory hot rolling a vacuum encapsulated compact of alternating layers of the ferrite steel with either 304L or 316L stainless steel sheets. Laminate composite specimens, which simulate duplex austenite-ferrite weld metal structure, were used to establish the kinetics of nucleation and growth of sigma phase. The factors affecting sigma phase formation were identified. The effects of time, temperature, and transport of chromium and nickel were evaluated and used to establish a model for sigma phase formation in the austenite-ferrite interfacial region. Information useful for designing stainless steel welding consumables to be used for high temperature service was determined.

  10. 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

    2010-02-01T23:59:59.000Z

    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.

  11. Noncommutative minisuperspace, gravity-driven acceleration and kinetic inflation

    E-Print Network [OSTI]

    S. M. M. Rasouli; Paulo Vargas Moniz

    2014-11-05T23:59:59.000Z

    In this paper, we introduce a noncommutative version of the Brans-Dicke (BD) theory and obtain the Hamiltonian equations of motion for a spatially flat Friedmann--Lema\\^{\\i}tre--Robertson--Walker universe filled with a perfect fluid. We focus on the case where the scalar potential as well as the ordinary matter sector are absent. Then, we investigate gravity-driven acceleration and kinetic inflation in this noncommutative BD cosmology. In contrast to the commutative case, in which the scale factor and BD scalar field are in a power-law form, in the noncommutative case the power-law scalar factor is multiplied by a dynamical exponential warp factor. This warp factor depends on the noncommutative parameter as well as the momentum conjugate associated to the BD scalar field. We show that the BD scalar field and the scale factor effectively depend on the noncommutative parameter. For very small values of this parameter, we obtain an appropriate inflationary solution, which can overcome problems within BD standard cosmology in a more efficient manner. Furthermore, a graceful exit from an early acceleration epoch towards a decelerating radiation epoch is provided. For late times, due to the presence of the noncommutative parameter, we obtain a zero acceleration epoch, which can be interpreted as the coarse-grained explanation.

  12. Stochastic cooling of bunched beams from fluctuation and kinetic theory

    SciTech Connect (OSTI)

    Chattopadhyay, S.

    1982-09-01T23:59:59.000Z

    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.

  13. Kinetic Modeling of Combustion Characteristics of Real Biodiesel Fuels

    SciTech Connect (OSTI)

    Naik, C V; Westbrook, C K

    2009-04-08T23:59:59.000Z

    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.

  14. 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

    2015-01-01T23:59:59.000Z

    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 ...

  15. Heavy residue production in the interaction of 29 MeV/nucleon 208 Pb with 197

    E-Print Network [OSTI]

    Menge, Duncan

    University of Technology, Go¨teborg, Sweden 3 Studsvik Neutron Research Laboratory, S-611 82 Nyko mechanisms such as complete/ incomplete fusion, deep inelastic scattering, etc. or high en- ergy mechanisms be understood in terms of nucleon exchange models 19 used to describe low energy deep inelastic scattering 2

  16. Fusion Engineering and Design 23 (1993) 173-200 173 North-Holland

    E-Print Network [OSTI]

    Ghoniem, Nasr M.

    1993-01-01T23:59:59.000Z

    fission power plants, with MPDs ranging from 500 to 1000 kWe/tonne and competitive cost of en- ergy. Other-field-pinch fusion-power-core design Clement P.C. Wong a, Steven P. Grotz h, Farrokh Najmabadi b, James P. Blanchard Research, University of California, Los Angeles, CA 90024-1597, USA c Canadian Fusion Fuels Technology

  17. A682 Journal of The Electrochemical Society, 161 (5) A682-A692 (2014) 0013-4651/2014/161(5)/A682/11/$31.00 The Electrochemical Society

    E-Print Network [OSTI]

    Subramanian, Venkat

    2014-01-01T23:59:59.000Z

    that need to be addressed in order to use a lithium-ion battery efficiently and safely for a long life materials for lithium ion batteries.4­6 One way to achieve higher en- ergy densities in lithium ion-ion battery electrodes as they can take advantage of materials with higher energy density and materials

  18. Charge Migration Efficiency Optimization in Hybrid Electrical Energy Storage (HEES) Systems

    E-Print Network [OSTI]

    Pedram, Massoud

    Charge Migration Efficiency Optimization in Hybrid Electrical Energy Storage (HEES) Systems the excessive electric energy in the electrical energy storage (EES) rather than converting into a different) are typically not balanced with each other. Storage of excessive en- ergy and compensation of the energy

  19. JULY/AUGUST 2003 31 C O M P U T A T I O N A L

    E-Print Network [OSTI]

    Iyengar, Srinivasan S.

    reactions within the MD simulations. Unfortunately, this apparently logical extension to the MD method turns step in MD simulations. Suffice it to say that to model complex condensed phases using MD simulation simulation of a reactive sys- tem, we require an atomistic model potential en- ergy surface (PES), or force

  20. 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-1-4503-1651-4/12/10 ...$15.00. 1. INTRODUCTION Much attention has been devoted to smart meters, as they play a central role

  1. Vacuum degeneracy of a circuit-QED system in the ultrastrong coupling regime Pierre Nataf1

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    N of artificial atoms, a degeneracy lifting occurs, with an en- ergy splitting dramatically of the proposed system is depicted in Fig. 1, namely a chain of N identical artificial two-level atomsVacuum degeneracy of a circuit-QED system in the ultrastrong coupling regime Pierre Nataf1

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

    E-Print Network [OSTI]

    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

  3. Plasma Imaging and Spectroscopy Diagnostics Developed on 100500-kA Pulsed Power Devices

    E-Print Network [OSTI]

    Plasma Imaging and Spectroscopy Diagnostics Developed on 100­500-kA Pulsed Power Devices DANIEL B-ray and ultraviolet en- ergy ranges developed and used on 100­500 kA pulsed power facil- ities. Requiring just a few people to run and modest infrastructure investment, these facilities are cost-effective test beds for new

  4. Recent Developments of the Modelica "Buildings" Library for Building Energy and Control Systems

    E-Print Network [OSTI]

    Recent Developments of the Modelica "Buildings" Library for Building Energy and Control Systems 94720, USA Abstract At the Modelica 2009 conference, we introduced the Buildings library, a freely develop an open-source Modelica library for building en- ergy and control systems. The library is freely

  5. `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

  6. Design, Analysis, and Learning Control of a Robotic Wind Turbine J. Zico Kolter, Zachary Jackowski, Russ Tedrake*

    E-Print Network [OSTI]

    Jackson, Daniel

    % of the world's energy currently comes from (unsustainable) fossil fuels, and worldwide en- ergy demand, to be of similar cost to fossil fuels for electricity generation [2]. Despite this promise, significant projec- tions predicting wind, given good environmental conditions and proper government subsidies

  7. SPIRAL: JOINT RUNTIME AND ENERGY OPTIMIZATION OF LINEAR TRANSFORMS Marek Telgarsky, James C. Hoe, Jose M. F. Moura

    E-Print Network [OSTI]

    Moura, José

    : (1) have large impact on the runtime and en- ergy of computing the discrete Fourier transformSPIRAL: JOINT RUNTIME AND ENERGY OPTIMIZATION OF LINEAR TRANSFORMS Marek Telgarsky, James C. Hoe simultaneous runtime, energy and/or power constraints. Hence, in addition to runtime, power and energy

  8. John P. Verboncoeur Professor in Residence, Dept NE/ERL

    E-Print Network [OSTI]

    Wurtele, Jonathan

    . Applications include microwave-beam devices, charged particle beam optics, fusion and other en- ergy plasma code suite, including particle-in-cell Monte Carlo collision codes in 1D periodic, bounded (planar transport, laser and beam plasma wakefield acceler- ators, plasma thrusters, as well as basic plasma physics

  9. Course title: PGE 379/383, The Earth, Natural Resources and Sustain-ability (19678/19743)

    E-Print Network [OSTI]

    Patzek, Tadeusz W.

    , Petroleum & Geosystems Engi- neering, patzek@mail.utexas.edu Sponsoring Department: Petroleum & Geosystems), their en- ergy storage and throughput, energy production and its side effects. Expanded Description My main, petroleum, old growth forest) and fluxes (solar irradiation) (b) Differences between old and new solar

  10. Fusion11 Conference Summary Carlos A. Bertulani,a

    E-Print Network [OSTI]

    Bertulani, Carlos A. - Department of Physics and Astronomy, Texas A&M University

    , the international project for thermonuclear fusion. This project (presently estimated at 15 billion euros) will open physics and material science. The generation of commercial en- ergy by using thermonuclear fusionFusion11 Conference Summary Carlos A. Bertulani,a Department of Physics and Astronomy, Texas A

  11. Identifying Energy Waste through Dense Power Sensing and Utilization Monitoring

    E-Print Network [OSTI]

    Stanford University

    Identifying Energy Waste through Dense Power Sensing and Utilization Monitoring Maria Kazandjieva the efficiency of such a computing system requires detailed data of both en- ergy consumption and energy waste to differentiate energy used well from energy waste. This is an important difference from pre- vious work [8, 14

  12. LETTER Earth Planets Space, 61, 577580, 2009 Flares and the chromosphere

    E-Print Network [OSTI]

    Hudson, Hugh

    LETTER Earth Planets Space, 61, 577­580, 2009 Flares and the chromosphere Hugh S. Hudson1 limited to the "semi-empirical" models, based on 1D radiative-transfer physics. Such an approach omits dy energetics (Section 2), en- ergy build-up (Section 3), and energy release (Section 4), attempting to use

  13. Human health impacts for Renewable Energy scenarios from the EnerGEO Platform of Integrated Assessment (PIA)

    E-Print Network [OSTI]

    Boyer, Edmond

    Energy Agency with the use of the World En- ergy Model for the World Energy Outlook 2009, OrganizationHuman health impacts for Renewable Energy scenarios from the EnerGEO Platform of Integrated of renewable energy, affect concentrations of air pollutants and as a consequence affect human health. PM2

  14. A Hardware Acceleration Unit for MPI Queue Processing Keith D. Underwood, K. Scott Hemmert, Arun Rodrigues, Richard Murphy, and Ron Brightwell

    E-Print Network [OSTI]

    Brightwell, Ron

    interface. With this important capability has come significant performance im- plications. Most notably- ing of moderate length queues in MPI. Simulations are used to compare the performance of an embedded, for the United States Department of En- ergy's National Nuclear Security Administration under contract DE- AC04

  15. 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

  16. GEOPHYSICAL RESEARCH LETTERS, VOL. 27, NO. 1, PAGES 4l-44, JANUARY 1,200O Atmospheric gravity wave signatures in the infrared

    E-Print Network [OSTI]

    California at Berkeley, University of

    extended to calculations of the vertical flux of wave en- ergy and the horizontal momentumcarried. A disadvantage of imagers operating in the l-2 pm region is the necessity of cooling the detector in order variations in OH airglow im- ages in the 1.4-1.5 pm infrared region. 2. Instrumentation and data analysis

  17. sustAinABLe energy College of Rural and Community Development

    E-Print Network [OSTI]

    Hartman, Chris

    sustAinABLe energy College of Rural and Community Development 907-842-5109 or 800-478-5109 www and training in energy efficiency and renewable en- ergy, the sustainable energy occupational endorsement preparation for entry-level sustainable energy careers. It also serves as a stepping-stone into science

  18. Low-Power Division: Comparison among implementations of radix 4, 8 and 16

    E-Print Network [OSTI]

    California at Davis, University of

    produces the smallest en- ergy dissipation. 1 Introduction Energy consumption is becoming more important dissipated in a floating-point unit, similar to the one pre- sented in [8] shows that the energy consumption using PET [4], a power evaluation tool which com- putes the power dissipated in a circuit from

  19. The Case for Efficient Renewable Energy Management in Smart Binghamton University

    E-Print Network [OSTI]

    Shenoy, Prashant

    they produce back to the utility company--to offset their cost relative to grid energy. DG is a much lessThe Case for Efficient Renewable Energy Management in Smart Homes Ting Zhu Binghamton University (DG) uses many small on-site en- ergy sources deployed at individual buildings to generate electricity

  20. Int. Conf. on Computational Methods for Coupled Problems in Science and Engineering COUPLED PROBLEMS 2005

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    of Radioactive Waste (ANDRA) are responsible for the disposal and storage of nuclear waste and spent nuclear fuel of nuclear waste disposal safety, the French Atomic Energy Commission (CEA) is interested in modelling Parliament in 1991, the French Atomic En- ergy Commission (CEA) and the French Agency for the Management

  1. ElEctricAl EnginEEring College of Engineering and Mines

    E-Print Network [OSTI]

    Hartman, Chris

    ElEctricAl EnginEEring College of Engineering and Mines Department of Electrical and Computer degree programs in electrical and computer engineering are closely connected with faculty research of alternative en- ergy systems. Graduate students in electrical and computer engineering at UAF receive

  2. Ris Energy Report 5 Summary, conclusions and recommendations 5 2 Summary, conclusions and recommendations

    E-Print Network [OSTI]

    alleviation: in 2002, almost 1.6 billion people in developing countries did not have access to electricity in their homes. The International Energy Agency (IEA) predicts that by 2030, if governments stick, Chinese en- ergy consumption is increasing dramatically. Renewable energy resources already have

  3. Waste IncIneratIon and Waste PreventIon

    E-Print Network [OSTI]

    and heat. In 2005/2006, German waste incineration plants provided some 6 terawatt hours (TWh-/Abfallgesetz) continues to hold: Waste prevention has priority over recovery and disposal. Nevertheless, the use of waste for en- ergy recovery is an indispensable element of sus- tainable waste management. Waste incineration

  4. Direct Adaptive Control of Electricity Demand S. Keshav and C. Rosenberg

    E-Print Network [OSTI]

    Waterloo, University of

    Report CS-2010-17 ABSTRACT The legacy electrical grid upper-bounds a customer's en- ergy demand using An electrical grid supplies reliable power to residential, industrial, and commercial customers by dynamicallyDirect Adaptive Control of Electricity Demand S. Keshav and C. Rosenberg School of Computer Science

  5. Enhanced Specific Heat of Silica Donghyun Shin

    E-Print Network [OSTI]

    Banerjee, Debjyoti

    , molten salt, lithium carbonate, potassium carbonate, solar energy, thermal en- ergy storage, phase change the operational efficiencies and reliability of solar thermal energy conversion systems. The materials material 1 Introduction Thermal energy storage TES systems at high temperatures are required to improve

  6. This article has been accepted for inclusion in a future issue of this journal. Content is final as presented, with the exception of pagination. IEEE TRANSACTIONS ON POWER SYSTEMS 1

    E-Print Network [OSTI]

    Baldick, Ross

    ) balancing market and the upcoming ERCOT "nodal"--that is, "locational marginal pricing," (LMP) market as in the Northeast U.S. restructured markets [2], competitive en- ergy prices must occasionally rise above the occasions of high competitive prices are also times when market participants have market power

  7. Border flow rights and Contracts for differences of differences

    E-Print Network [OSTI]

    model, the owner of a transmission line or lines is paid at the locational marginal price for energy that it delivers to the rest of the system and pays at the locational marginal price for en- ergy that it receives" (CFDs) that are used to hedge locational marginal price variation at a given location [9, section 3

  8. AWEA Small Wind Turbine Global Market Study

    E-Print Network [OSTI]

    Leu, Tzong-Shyng "Jeremy"

    Displaced Carbon Dioxide 17 Building-Mounted Turbines 17 Manufacturing 18 The Global Market 21 Solar Summary Table 1 #12;4 | AMERICAn WInD EnERGy ASSOCIATIOn Based on a 2010 AWEA survey of manufacturers and standardized interconnection regulations, and the appropriation and allocation of federal research

  9. Safe Upper-bounds Inference of Energy Consumption for Java Bytecode Applications

    E-Print Network [OSTI]

    Politécnica de Madrid, Universidad

    Safe Upper-bounds Inference of Energy Consumption for Java Bytecode Applications (Extended Abstract relying on autonomous on-board data analysis. Intermediate Representation Resource Usage Analysis Energy- mize energy consumption. Several approaches have been developed for estimating the en- ergy consumption

  10. This document will help you understand the statistics commonly used to describe wind when it is studied

    E-Print Network [OSTI]

    Massachusetts at Amherst, University of

    Collaborative's Renewable En- ergy Trust Fund, the Renewable Energy Research Laboratory brings you this seriesThis document will help you understand the statistics commonly used to describe wind when Renewable Energy Research Laboratory, University of Massachusetts at Amherst Community Wind Power Fact Sheet

  11. Converting the Sun's Heat to Gasoline Solar Fuel Corporation is a clean tech company transforming the way gasoline, diesel and hydrogen fuels

    E-Print Network [OSTI]

    Jawitz, James W.

    the way gasoline, diesel and hydrogen fuels are created and produced. The company has a proprietary technology for converting solar thermal en- ergy (the sun's heat) to fuel (e.g., gasoline, diesel, hydrogen solar energy to syngas, which is then converted to "drop in" fuel (diesel, gasoline or hydrogen

  12. IEEE JOURNAL OF PHOTOVOLTAICS, VOL. 1, NO. 1, JULY 2011 37 Evaluation of Series Resistance Losses in

    E-Print Network [OSTI]

    - duction toward thinner wafers in combination with the aim of higher energy conversion efficiencies demands and rear achieving en- ergy conversion efficiencies of up to 19.4% on 125 mm × 125 mm p-type 2­3 ·cm boron factors below 76% due to an increased series resistance. In this paper, we analyze the main cause

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

    E-Print Network [OSTI]

    Cambridge, University of

    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

  14. 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

  15. 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

  16. Genome complexity in a lean, mean photosynthetic machine

    E-Print Network [OSTI]

    Archibald, John

    , Dalhousie University, Sir Charles Tupper Medical Building, 5850 College Street, Halifax, NS, Canada B3H 1X5, invisible to the naked eye and unfathomably large in number, quietly harnessing solar en- ergy, fixing 1 m in diameter and practically invisible under the light microscope, O. tauri was detected by flow

  17. Energy Options for the Future* John Sheffield,1

    E-Print Network [OSTI]

    . The presentations covered the present status and future potential for coal, oil, natural gas, nuclear, wind, solar Program, DOE. Coal & Gas, Rita Bajura, Director, National En- ergy Technology Laboratory. Oil, David, 2004 How do nuclear and renewable power plants emit greenhouse

  18. Temperature Management in Data Centers: Why Some (Might) Like It Hot

    E-Print Network [OSTI]

    Schroeder, Bianca

    understood: controlling the setpoint temperature at which to run a data center's cooling system. Most data understood: controlling the setpoint temperature at which to run a data center's cooling system. Data centers of the consumed en- ergy is spent on data center cooling, which has motivated a large body of work on temperature

  19. FPGA-based Particle Recognition in the HADES Abstract--Modern FPGA technologies are often employed in nuclear and particle physics experimental facilities to accelerate

    E-Print Network [OSTI]

    Jantsch, Axel

    are often employed in nuclear and particle physics experimental facilities to accelerate application the emission direction, the en- ergy, and the mass of the produced particles when the accelerated beam hits1 FPGA-based Particle Recognition in the HADES Experiment Abstract--Modern FPGA technologies

  20. mong the biggest chal-lenges the world faces

    E-Print Network [OSTI]

    Blevis, Eli

    stated goal is to reduce world energy use to 1990 levels, thereby stabilizing atmo- spheric CO2 emissions EnErgy Consumption A Forrester Research report proj- ects the number of personal com- puters in use (www.microarch.org/ micro35/keynote/Agerwala.pdf). According to the Climate Group, total energy

  1. 146 IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT, VOL. 56, NO. 1, FEBRUARY 2007 Identifying the Magnetic Part of the Equivalent

    E-Print Network [OSTI]

    Boyer, Edmond

    , multiwinding transformer, short-circuit compensation. I. INTRODUCTION IN POWER electronic converters, wound components (coils and transformers) play key roles: they provide temporary en- ergy storage, voltage and current transformations, and electrical insulation. In medium and low-power converters, operating fre

  2. Extracting Hydrogen Electricity from

    E-Print Network [OSTI]

    that the U.S. peak in oil production occurred during the major en- ergy crisis of the early 1970s, and he & TECHNOLOGY 161A C oncerns about climate change, in- creased global demand for finite oil and natural gas to fos- sil fuels. Rifkin argues that global oil production will fail to meet the increasing demand

  3. Draft 2-5-06 Draft 2-5-06

    E-Print Network [OSTI]

    Lee, Jason R.

    and a stock of single-purpose facilities whereas research build- the scientific Vision for Berkeley Lab berke as a national re- search institution. The Laboratory's leadership in areas of emerging federal priority, such as solar energy, en- ergy efficiency, and nanoscience, will result in increased funding with requirements

  4. 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

  5. Symmetry Breaking in the Zero-Energy Landau Level in Bilayer Graphene P. Cadden-Zimansky,1,2

    E-Print Network [OSTI]

    Kim, Philip

    Symmetry Breaking in the Zero-Energy Landau Level in Bilayer Graphene Y. Zhao,1 P. Cadden, the eightfold degeneracy in the zero-energy Landau level is completely lifted, exhibiting new quantum Hall precisely at the particle-hole degenerate zero en- ergy. While the energy spacing of SLG LLs scales

  6. ECEEE SUMMER STUDY pRoCEEDingS 2057 Back to reality: How domestic energy

    E-Print Network [OSTI]

    Guillas, Serge

    renovations and Nearly-Zero-Energy Build- ings are based on normative standards. The paper provides ex- amples germany ray.galvin@gmx.de Keywords Directive on Energy Performance in Buildings (EPBD), en- ergy savings energy efficiency targets for the percentage decrease in building energy consumption, particularly

  7. 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

  8. 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

  9. Energy Efficiency Analysis of Link Layer Backoff Schemes on Point-to-Point

    E-Print Network [OSTI]

    Chockalingam, A.

    416 Energy Efficiency Analysis of Link Layer Backoff Schemes on Point-to-Point Markov Fading Links schemes are shown to achieve better energy ef- ficiency without compromising much on the link layer throughput performance. Keywords - Backoff algorithms, fading channels, en- ergy eficiency. 1 Introduction

  10. Country Report Impact of growing urbanization and air pollution on

    E-Print Network [OSTI]

    Singh, Ramesh P.

    and India now stands next to USA, Europe and China in terms of total en- ergy consumption (Fig. 3). Increase in energy needs, along with decreasing dependency on tra- ditional sources of energy (like biomass) espe and petroleum. In the last decade (1990- 2000, Fig. 3), biomass as a fraction of the energy source has declined

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

    E-Print Network [OSTI]

    Amir, Yair

    en- ergy consumption. Improving data center energy efficiency is a pressing issue with significant operators lack sufficient visibility into how heat is generated, distributed, and exchanged in data centersTowards Discovering Data Center Genome Using Sensor Nets Jie Liu Microsoft Research One Microsoft

  12. Mechanical & Aerospace Engineering Turning Ideas into Reality

    E-Print Network [OSTI]

    Mottram, Nigel

    Mechanical & Aerospace Engineering Turning Ideas into Reality EnErgy Environ m Ent HEaltH mat Overview The Courses Mechanical Engineering (MEng / BEng) Mechanical Engineering With International Study (MEng / BEng) Aero-Mechanical Engineering (MEng / BEng) E N T r y F A Q S A p p l y i n g C a m p u

  13. Mechanical Engineering Turning Ideas into Reality

    E-Print Network [OSTI]

    Mottram, Nigel

    Mechanical Engineering Turning Ideas into Reality EnErgy Environ m Ent HEaltH matEria ls transpo rt u r s e s ? Home The Department Overview The Courses Mechanical Engineering (MEng / BEng) Mechanical Engineering With International Study (MEng / BEng) Aero-Mechanical Engineering (MEng / BEng) #12;tHE DEpartm

  14. IEEE TRANSACTIONS ON POWER SYSTEMS, VOL. 7, NO. 3, AUGUST 1992, PP. 1001 1011. A VECTOR ENERGY FUNCTION APPROACH FOR

    E-Print Network [OSTI]

    Cañizares, Claudio A.

    reasonably detailed third order HVDC dynamics along with ac system models that include reactive ows the derivationof individualcompo- nent Lyapunovfunctionsforsimpli edmodelsofHVDC links connected to in nitely. Keywords: HVDC, Lyapunov functions, transient en- ergy functions, transient stability, dynamic security as

  15. Investigation into Fusion Feasibility of a Magnetized Target Fusion Reactor

    E-Print Network [OSTI]

    Wetton, Brian

    Investigation into Fusion Feasibility of a Magnetized Target Fusion Reactor Michael Lindstrom fusion en- ergy known as a magnetized target fusion reactor, in which an intense pressure wave the fusion reactor design we have chosen to model. In section 2, we present a simplified model and set

  16. Experiments in the Use of Stable Limits Sets for Parts Handling Todd D. Murphey, David Choi, Jay Bernheisel, and Kevin M. Lynch

    E-Print Network [OSTI]

    Hartmann, Mitra J. Z.

    , or other properties or local control laws determining the inter- part coupling forces) and the environment they move in (e.g., global fixtures, templates, shaped force fields, and en- ergy input in the form of heating or agitation). When cen- tralized environmental control of the individual parts is lim- ited, so

  17. (This is a sample cover image for this issue. The actual cover is not yet available at this time.) This article appeared in a journal published by Elsevier. The attached

    E-Print Network [OSTI]

    Chung, Deborah D.L.

    , thermal, light, etc.) that is pres- ent in the environment anyway. The efficiency and cost of the energy of thermal en- ergy to electricity. Thermal energy is commonly available in the environment due to waste heat the electrical resistivity. Ã? 2013 Elsevier Ltd. All rights reserved. 1. Introduction 1.1. Thermoelectric energy

  18. Steam Explosions, Earthquakes, and Volcanic Eruptions--What's in Yellowstone's Future?

    E-Print Network [OSTI]

    Torgersen, Christian

    Steam Explosions, Earthquakes, and Volcanic Eruptions-- What's in Yellowstone's Future? U. In the background, steam vigorously rises from the hot Each year, millions of visitors come to admire the hot, such as geysers. Steam and hot water carry huge quantities of thermal en- ergy to the surface from the magma cham

  19. Author's personal copy Towards optimization of a pyroelectric energy converter for harvesting waste heat

    E-Print Network [OSTI]

    Pilon, Laurent

    Direct energy conversion Waste heat harvesting Ferroelectric materials Oscillating flow a b s t r a c for directly converting waste heat into electricity. The two-dimensional mass, momentum, and energy equations of waste heat as required by the second law of thermodynamics. For example, over 50% of the en- ergy

  20. Geometric control of kinetic pathways: Characterizing equilibrium in epitaxial growth Paul N. Patrone1,2

    E-Print Network [OSTI]

    Milchberg, Howard

    with those of kinetic Monte Carlo simulations. PACS number(s): Epitaxial growth involves a competition? Our goal in this Letter is to provide a criterion, in the context of a tractable model, that indicates

  1. Physicochemical phenomena of electro-kinetic extraction of inorganic contaminants from kaolinite

    E-Print Network [OSTI]

    Scott, Travis Brooks

    1994-01-01T23:59:59.000Z

    -kinetic treatment the sample was disconnected from the reservoirs, power supply and data acquisition system, then sectioned to allow water content, sodium and chloride concentration, and pH analyses of each section. The data obtained was reduced and prepared...

  2. Kinetic trajectory decoding using motor cortical ensembles Andrew H. Fagg1

    E-Print Network [OSTI]

    Fagg, Andrew H.

    0 Kinetic trajectory decoding using motor cortical ensembles Andrew H. Fagg1 , Greg Ojakangas2, Norman, OK 2 Dept. of Physics, Drury University 3 Dept. of Physiology, Northwestern University, Chicago

  3. Addition and recombination reactions of unsaturated radicals using a novel laser kinetics spectrometer

    E-Print Network [OSTI]

    Ismail, Huzeifa

    2008-01-01T23:59:59.000Z

    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 ...

  4. Feedback Stabilization of Fed-Batch Bioreactors: Non-Monotonic Growth Kinetics

    E-Print Network [OSTI]

    Bastin, Georges

    Feedback Stabilization of Fed-Batch Bioreactors: Non-Monotonic Growth Kinetics Ilse Y. Smets's yeast, food additives, and recom- binant proteins), optimization and control of fed-batch bioreactors

  5. 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 ...

  6. Building KiMoSin : design requirements for kinetic interfaces in protein education

    E-Print Network [OSTI]

    Brown, Ashlie (Ashlie M.)

    2007-01-01T23:59:59.000Z

    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. ...

  7. Kinetic and Friction Head Loss Impacts on Horizontal Water Supply and Aquifer Storage and Recovery Wells 

    E-Print Network [OSTI]

    Blumenthal, Benjamin

    2014-12-02T23:59:59.000Z

    well construction or intra-wellbore head loss. Currently no analytical groundwater model rigorously accounts for intra-wellbore kinetic and friction head loss. We have developed a semi-analytical, intra-wellbore head loss model dynamically linked...

  8. 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 ...

  9. Detailed kinetic study of anisole pyrolysis and oxidation to understand tar formation during biomass

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    biomass combustion and gasification Milena Nowakowska, Olivier Herbinet, Anthony Dufour, Pierre. Methoxyphenols are one of the main precursors of PAH and soot in biomass combustion and gasification. Keywords: Anisole; Pyrolysis; Oxidation; Tars; Biomass; Kinetic modeling Corresponding author

  10. 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 ...

  11. A KINETIC S'FUDY OF METHANOL SYNTHESIS IN A SLURRY REACTOR USING

    Office of Scientific and Technical Information (OSTI)

    Of Advisory Committee: Dr. A. Akgerrnan A kinetic model that describes the methanol production rate over a CuOZnOA120 3 catalyst (United Catalyst L-951) at typical industrial...

  12. Oxidation kinetics of methylphosphonic acid in supercritical water : experimental measurements and model development

    E-Print Network [OSTI]

    Sullivan, Patricia A. (Patricia Ann), 1978-

    2004-01-01T23:59:59.000Z

    (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 ...

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

    E-Print Network [OSTI]

    2008-01-01T23:59:59.000Z

    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

  14. Fe/SSZ-13 as an NH3-SCR Catalyst: A Reaction Kinetics andFTIR...

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

    as an NH3-SCR Catalyst: A Reaction Kinetics and FTIRMssbauer Spectroscopic Study."Applied Catalysis. B, Environmental 164:407-419. doi:10.1016j.apcatb.2014.09.031 Authors:...

  15. 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

  16. Systems, methods and computer-readable media to model kinetic performance of rechargeable electrochemical devices

    DOE Patents [OSTI]

    Gering, Kevin L.

    2013-01-01T23:59:59.000Z

    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.

  17. Pyrolysis kinetics of scrap tire rubbers. 1: Using DTG and TGA

    SciTech Connect (OSTI)

    Kim, S.; Park, J.K. [Univ. of Wisconsin, Madison, WI (United States); Chun, H.D. [Research Inst. of Industrial Science and Technology, Pohang (Korea, Republic of)

    1995-07-01T23:59:59.000Z

    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.

  18. Modeling genome-wide replication kinetics reveals a mechanism for regulation of replication timing

    E-Print Network [OSTI]

    Bechhoefer, John

    Modeling genome-wide replication kinetics reveals a mechanism for regulation of replication timing, University of Massachusetts Medical School, Worcester, MA, USA * Corresponding author. Department of Physics, testable, biochemically plausible mechanism for the regulation of replication timing in eukaryotes

  19. Kinetic modeling of amyloid fibrillation and synaptic plasticity as memory loss and formation mechanisms

    E-Print Network [OSTI]

    Lee, Chuang-Chung

    2008-01-01T23:59:59.000Z

    The principles of biochemical kinetics and system engineering are applied to explain memory-related neuroscientific phenomena. Amyloid fibrillation and synaptic plasticity have been our focus of research due to their ...

  20. Post-assembly Modification of Kinetically Metastable FeII 2L3 Triple Helicates

    E-Print Network [OSTI]

    Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.

    2014-05-23T23:59:59.000Z

    ,4 which recently led to a report of living supramolecular polymerization by Sugiyasu et al.5 Kinetically metastable species also feature in biological self-assembly, such as during the initial stages of protein folding.6 Biological systems are able...