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Sample records for disciplines chemical dynamics

  1. Chemical Dynamics

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

    ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ... Twitter Google + Vimeo GovDelivery SlideShare Chemical Dynamics HomeTransportation ...

  2. Chemical Dynamics

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

    Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs Advanced Nuclear Energy

  3. Gas-phase chemical dynamics

    SciTech Connect (OSTI)

    Weston, R.E. Jr.; Sears, T.J.; Preses, J.M.

    1993-12-01

    Research in this program is directed towards the spectroscopy of small free radicals and reactive molecules and the state-to-state dynamics of gas phase collision, energy transfer, and photodissociation phenomena. Work on several systems is summarized here.

  4. Chemical Imaging and Dynamical Studies of Reactivity and Emergent...

    Office of Scientific and Technical Information (OSTI)

    Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex ... Citation Details In-Document Search Title: Chemical Imaging and Dynamical Studies of ...

  5. Chemical structure and dynamics: Annual report 1996

    SciTech Connect (OSTI)

    Colson, S.D.; McDowell, R.S.

    1997-03-01

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species.

  6. Chemical structure and dynamics. Annual report 1995

    SciTech Connect (OSTI)

    Colson, S.D.; McDowell, R.S.

    1996-05-01

    The Chemical Structure and Dynamics program is a major component of Pacific Northwest National Laboratory`s Environmental Molecular Sciences Laboratory (EMSL), providing a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for the characterization of waste tanks and pollutant distributions, and for detection and monitoring of trace atmospheric species.

  7. ITP Chemicals: Technology Roadmap for Computational Fluid Dynamics...

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

    Fluid Dynamics, January 1999 ITP Chemicals: Technology Roadmap for Computational Fluid Dynamics, January 1999 PDF icon cfdroadmap.pdf More Documents & Publications 3-D Combustion ...

  8. Chemical structure and dynamics. Annual report 1994

    SciTech Connect (OSTI)

    Colson, S.D.

    1995-07-01

    The Chemical Structure and Dynamics program was organized as a major component of Pacific Northwest Laboratory`s Environmental and Molecular Sciences Laboratory (EMSL), a state-of-the-art collaborative facility for studies of chemical structure and dynamics. Our program responds to the need for a fundamental, molecular-level understanding of chemistry at the wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces, and (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage. This research effort was initiated in 1989 and will continue to evolve over the next few years into a program of rigorous studies of fundamental molecular processes in model systems, such as well-characterized surfaces, single-component solutions, clusters, and biological molecules; and studies of complex systems found in the environment (multispecies, multiphase solutions; solid/liquid, liquid/liquid, and gas/surface interfaces; colloidal dispersions; ultrafine aerosols; and functioning biological systems). The success of this program will result in the achievement of a quantitative understanding of chemical reactions at interfaces, and more generally in condensed media, that is comparable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for predictions of macroscopic chemical behavior in condensed and heterogeneous media, adding significantly to the value of field-scale environmental models, the prediction of short- and long-term nuclear waste storage stabilities, and other problems related to the primary missions of the DOE.

  9. Annual Report 1998: Chemical Structure and Dynamics

    SciTech Connect (OSTI)

    SD Colson; RS McDowell

    1999-05-10

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of- the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interracial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).

  10. Theoretical studies of chemical reaction dynamics

    SciTech Connect (OSTI)

    Schatz, G.C.

    1993-12-01

    This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

  11. Quantum dynamics of fast chemical reactions

    SciTech Connect (OSTI)

    Light, J.C.

    1993-12-01

    The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.

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

    SciTech Connect (OSTI)

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

    2010-03-14

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

  13. Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior

    Office of Scientific and Technical Information (OSTI)

    in Complex Interfacial Systems. Final Technical Report (Technical Report) | SciTech Connect Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex Interfacial Systems. Final Technical Report Citation Details In-Document Search Title: Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex Interfacial Systems. Final Technical Report This research program explored the efficacy of using molecular-level manipulation, imaging and

  14. ITP Chemicals: Technology Roadmap for Computational Fluid Dynamics, January

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

    1999 | Department of Energy Fluid Dynamics, January 1999 ITP Chemicals: Technology Roadmap for Computational Fluid Dynamics, January 1999 PDF icon cfd_roadmap.pdf More Documents & Publications 3-D Combustion Simulation Strategy Status, Future Potential, and Application Issues A Workshop to Identify Research Needs and Impacts in Predictive Simulation for Internal Combustion Engines (PreSICE) Vehicle Technologies Office Merit Review 2015: Large Eddy Simulation (LES) Applied to Advanced

  15. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    SciTech Connect (OSTI)

    Gray, S.K.

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  16. Administering Work Force Discipline

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2015-05-14

    The order provides requirements and responsibilities for administering work force discipline and corrective actions. Supersedes DOE O 3750.1.

  17. Administering Workforce Discipline

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2014-10-27

    To provide requirements and responsibilities for administering workforce discipline that includes disciplinary, adverse, and alternative corrective actions in the Department of Energy (DOE).

  18. Analysis of forward and inverse problems in chemical dynamics and spectroscopy

    SciTech Connect (OSTI)

    Rabitz, H.

    1993-12-01

    The overall scope of this research concerns the development and application of forward and inverse analysis tools for problems in chemical dynamics and chemical kinetics. The chemical dynamics work is specifically associated with relating features in potential surfaces and resultant dynamical behavior. The analogous inverse research aims to provide stable algorithms for extracting potential surfaces from laboratory data. In the case of chemical kinetics, the focus is on the development of systematic means to reduce the complexity of chemical kinetic models. Recent progress in these directions is summarized below.

  19. Work Force Discipline

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1983-03-23

    The order provides guidance and procedures and states responsibilities for maintaining work force discipline in DOE. Chg 1, dated 3-11-85; Chg 2, dated 1-6-86; Chg 3, dated 3-21-89; Chg 4, dated 8-2-90; Chg 5, dated 3-9-92; Chg 6, dated 8-21-92, cancels Chg 5.

  20. ORIGIN OF CHEMICAL AND DYNAMICAL PROPERTIES OF THE GALACTIC THICK DISK

    SciTech Connect (OSTI)

    Bekki, Kenji [ICRAR, M468, University of Western Australia, Crawley, Western Australia, 6009 (Australia); Tsujimoto, Takuji [National Astronomical Observatory, Mitaka-shi, Tokyo 181-8588 (Japan)

    2011-09-01

    We adopt a scenario in which the Galactic thick disk was formed by minor merging between the first generation of the Galactic thin disk (FGTD) and a dwarf galaxy about {approx}9 Gyr ago and thereby investigate chemical and dynamical properties of the Galactic thick disk. In this scenario, the dynamical properties of the thick disk have long been influenced both by the mass growth of the second generation of the Galactic thin disk (i.e., the present thin disk) and by its non-axisymmetric structures. On the other hand, the early star formation history and chemical evolution of the thin disk was influenced by the remaining gas of the thick disk. Based on N-body simulations and chemical evolution models, we investigate the radial metallicity gradient, structural and kinematical properties, and detailed chemical abundance patterns of the thick disk. Our numerical simulations show that the ancient minor merger event can significantly flatten the original radial metallicity gradient of the FGTD, in particular, in the outer part, and also can be responsible for migration of inner metal-rich stars into the outer part (R > 10 kpc). The simulations show that the central region of the thick disk can develop a bar due to dynamical effects of a separate bar in the thin disk. Whether or not rotational velocities (V{sub {phi}}) can correlate with metallicities ([Fe/H]) for the simulated thick disks depends on the initial metallicity gradients of the FGTDs. The simulated orbital eccentricity distributions in the thick disk for models with higher mass ratios ({approx}0.2) and lower orbital eccentricities ({approx}0.5) of minor mergers are in good agreement with the corresponding observations. The simulated V{sub {phi}}-|z| relation of the thick disk in models with low orbital inclination angles of mergers are also in good agreement with the latest observational results. The vertical metallicity gradient of the simulated thick disk is rather flat or very weakly negative in the solar neighborhood. Our Galactic chemical evolution models show that if we choose two distinctive timescales for star formation in the thin and thick disks, then the models can explain both the observed metallicity distribution functions and correlations between [Mg/Fe] and [Fe/H] for the two disks in a self-consistent manner. We discuss how the early star formation history and chemical evolution of the Galactic thin disk can be influenced by the pre-existing thick disk.

  1. Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation

    SciTech Connect (OSTI)

    Dumpala, Santoshrupa; Broderick, Scott R.; Rajan, Krishna; Khalilov, Umedjon; Neyts, Erik C.; Duin, Adri C. T. van; Provine, J; Howe, Roger T.

    2015-01-05

    In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO{sub 2} and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature.

  2. A Molecular Dynamics Study of Chemical Reactions of Solid Pentaerythritol Tetranitrate at Extreme Conditions

    SciTech Connect (OSTI)

    Wu, C J; Manaa, M R; Fried, L E

    2006-05-30

    We have carried out density functional based tight binding (DFTB) molecular dynamics (MD) simulation to study energetic reactions of solid Pentaerythritol Tetranitrate (PETN) at conditions approximating the Chapman-Jouguet (CJ) detonation state. We found that the initial decomposition of PETN molecular solid is characterized by uni-molecular dissociation of the NO{sub 2}groups. Interestingly, energy release from this powerful high explosive was found to proceed in several stages. The large portion of early stage energy release was found to be associated with the formation of H{sub 2}O molecules within a few picoseconds of reaction. It took nearly four times as long for majority of CO{sub 2} products to form, accompanied by a slow oscillatory conversion between CO and CO{sub 2}. The production of N{sub 2} starts after NO{sub 2} loses its oxygen atoms to hydrogen or carbon atoms to form H{sub 2}O or CO. We identified many intermediate species that emerge and contribute to reaction kinetics, and compared our simulation with a thermo-chemical equilibrium calculation. In addition, a detailed chemical kinetics of formation of H{sub 2}O, CO, and CO{sub 2} were developed. Rate constants of formations of H{sub 2}O, CO{sub 2} and N{sub 2} were reported.

  3. Coupled molecular dynamics-Monte Carlo model to study the role of chemical processes during laser ablation of polymeric materials

    SciTech Connect (OSTI)

    Prasad, Manish; Conforti, Patrick F.; Garrison, Barbara J.

    2007-08-28

    The coarse grained chemical reaction model is enhanced to build a molecular dynamics (MD) simulation framework with an embedded Monte Carlo (MC) based reaction scheme. The MC scheme utilizes predetermined reaction chemistry, energetics, and rate kinetics of materials to incorporate chemical reactions occurring in a substrate into the MD simulation. The kinetics information is utilized to set the probabilities for the types of reactions to perform based on radical survival times and reaction rates. Implementing a reaction involves changing the reactants species types which alters their interaction potentials and thus produces the required energy change. We discuss the application of this method to study the initiation of ultraviolet laser ablation in poly(methyl methacrylate). The use of this scheme enables the modeling of all possible photoexcitation pathways in the polymer. It also permits a direct study of the role of thermal, mechanical, and chemical processes that can set off ablation. We demonstrate that the role of laser induced heating, thermomechanical stresses, pressure wave formation and relaxation, and thermochemical decomposition of the polymer substrate can be investigated directly by suitably choosing the potential energy and chemical reaction energy landscape. The results highlight the usefulness of such a modeling approach by showing that various processes in polymer ablation are intricately linked leading to the transformation of the substrate and its ejection. The method, in principle, can be utilized to study systems where chemical reactions are expected to play a dominant role or interact strongly with other physical processes.

  4. Computational fluid dynamics modeling of chemical looping combustion process with calcium sulphate oxygen carrier - article no. A19

    SciTech Connect (OSTI)

    Baosheng Jin; Rui Xiao; Zhongyi Deng; Qilei Song

    2009-07-01

    To concentrate CO{sub 2} in combustion processes by efficient and energy-saving ways is a first and very important step for its sequestration. Chemical looping combustion (CLC) could easily achieve this goal. A chemical-looping combustion system consists of a fuel reactor and an air reactor. Two reactors in the form of interconnected fluidized beds are used in the process: (1) a fuel reactor where the oxygen carrier is reduced by reaction with the fuel, and (2) an air reactor where the reduced oxygen carrier from the fuel reactor is oxidized with air. The outlet gas from the fuel reactor consists of CO{sub 2} and H{sub 2}O, while the outlet gas stream from the air reactor contains only N{sub 2} and some unused O{sub 2}. The water in combustion products can be easily removed by condensation and pure carbon dioxide is obtained without any loss of energy for separation. Until now, there is little literature about mathematical modeling of chemical-looping combustion using the computational fluid dynamics (CFD) approach. In this work, the reaction kinetic model of the fuel reactor (CaSO{sub 4}+ H{sub 2}) is developed by means of the commercial code FLUENT and the effects of partial pressure of H{sub 2} (concentration of H{sub 2}) on chemical looping combustion performance are also studied. The results show that the concentration of H{sub 2} could enhance the CLC performance.

  5. NEW - DOE O 333.1, Administering Work Force Discipline

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    The order provides requirements and responsibilities for administering work force discipline and corrective actions.

  6. Application of computational fluid dynamics to regional dosimetry of inhaled chemicals in the upper respiratory tract of the rat

    SciTech Connect (OSTI)

    Kimbell, J.S.; Gross, E.A.; Joyner, D.R.; Godo, M.N.; Morgan, K.T. (Chemical Industry Institute of Toxicology, Research Triangle Park, NC (United States))

    1993-08-01

    For certain inhaled air pollutants, such as reactive, water soluble gases, the distribution of nasal lesions observed in F344 rats may be closely related to regional gas uptake patterns in the nose. These uptake patterns can be influenced by the currents of air flowing through the upper respiratory tract during the breathing cycle. Since data on respiratory tract lesions in F344 rats are extrapolated to humans to make predictions of risk to human health, a better understanding of the factors affecting these responses is needed. To assess potential effects of nasal airflow on lesion location and severity, a methodology was developed for creation of computer simulations of steady-state airflow and gas transport using a three-dimensional finite element grid reconstructed from serial step-sections of the nasal passages of a male F344 rat. Simulations on a supercomputer used the computational fluid dynamics package FIDAP (FDI, Evanston, IL). Distinct streams of bulk flow evident in the simulations matched inspiratory streams reported for the F344 rat. Moreover, simulated regional flow velocities matched measured velocities in concurrent laboratory experiments with a hollow nasal mold. Computer-predicted flows were used in simulations of gas transport to nasal passage walls, with formaldehyde as a test case. Results from the uptake simulations were compared with the reported distribution of formaldehyde-induced nasal lesions observed in the F344 rat, and indicated that airflow-driven uptake patterns probably play an important role in determining the location of certain nasal lesions induced by formaldehyde. This work demonstrated the feasibility of applying computational fluid dynamics to airflow-driven dosimetry of inhaled chemicals in the upper respiratory tract.

  7. A common-view disciplined oscillator

    SciTech Connect (OSTI)

    Lombardi, Michael A.; Dahlen, Aaron P.

    2010-05-15

    This paper describes a common-view disciplined oscillator (CVDO) that locks to a reference time scale through the use of common-view global positioning system (GPS) satellite measurements. The CVDO employs a proportional-integral-derivative controller that obtains near real-time common-view GPS measurements from the internet and provides steering corrections to a local oscillator. A CVDO can be locked to any time scale that makes real-time common-view data available and can serve as a high-accuracy, self-calibrating frequency and time standard. Measurement results are presented where a CVDO is locked to UTC(NIST), the coordinated universal time scale maintained at the National Institute of Standards and Technology in Boulder, Colorado.

  8. DRAFT - DOE O 333.1, Administering Work Force Discipline

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    To provide requirements and responsibilities for administering workforce discipline that includes disciplinary, adverse, and alternative corrective actions in the Department of Energy (DOE).

  9. Dynamic

    Office of Legacy Management (LM)

    Dynamic , and Static , Res.ponse of the Government Oil Shale Mine at ' , . , Rifle, Colorado, to the Rulison Event. , . ; . . DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document. p ( y c - - a 2-1 0 -4- REPORT AT (29-2) 914 USBM 1 0 0 1 UNITED STATES DEPARTMENT O F THE I NTERIOR BUREAU OF MINES e s.09 P. L. R U S S E L L RESEARCH D l RECTOR Februory 2, lB7O DYNAMIC AND STATIC RESPONSE 'OF THE GOVERNMENT

  10. Penn State Multi-Discipline Tribology Group and Energy Institute Studies.

    SciTech Connect (OSTI)

    Perez, Joseph

    2001-08-05

    This presentation is a summary of the current research activities on fuels and lubricants in the Multi-discipline Tribology group and the engine test group in the Combustion Laboratory of the Pennsylvania State University. The progress areas discussed in this summary include those found in Table 1. Table 1. RESEARCH AREAS: Diesel Engine Emission Reduction; Oxygenated Fuels; Improved Friction Fuels; Vegetable Oil Lubricants; Extended Drain Lubricants; Effect of Chemical Structure on Friction and Wear. The research is of interest either directly or indirectly to the goal of this workshop, diesel engine emissions reduction. The current projects at Penn State in the areas listed above will be discussed.

  11. Fluid dynamics, particulate segregation, chemical processes, and natural ore analog discussions that relate to the potential for criticality in Hanford tanks

    SciTech Connect (OSTI)

    Barney, G.S.

    1996-09-27

    This report presents an in-depth review of the potential for nuclear criticality to occur in Hanford defense waste tanks during past, current and future safe storage and maintenance operations. The report also briefly discusses the potential impacts of proposed retrieval activities, although retrieval was not a main focus of scope. After thorough review of fluid dynamic aspects that focus on particle segregation, chemical aspects that focus on solubility and adsorption processes that might concentrate plutonium and/or separate plutonium from the neutron absorbers in the tank waste, and ore-body formation and mining operations, the interdisciplinary team has come to the conclusion that there is negligible risk of nuclear critically under existing storage conditions in Hanford site underground waste storage tanks. Further, for the accident scenarios considered an accidental criticality is incredible.

  12. Browse by Discipline -- E-print Network Subject Pathways: Biology...

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    ... for Artificial Intelligence Chinese Ceramic Society Chinese Chemical Society (CCS) Chinese Chemical Society (Taiwan) Chinese Environmental Mutagen Society (CEMS) Chinese ...

  13. Browse by Discipline -- E-print Network Subject Pathways: Fossil...

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    - Department of Chemical and Biomolecular Engineering, Tulane University Ostermeier, Marc (Marc Ostermeier) - Department of Biomolecular and Chemical Engineering, Johns ...

  14. Physical and chemical dynamics of the hydrogeologic system in wetlands along the southern shore of Lake Michigan

    SciTech Connect (OSTI)

    Doss, P.K.

    1991-01-01

    The Miller Woods wetland system is established in the progradational beach deposits along the shore of Lake Michigan in the Indiana Dunes National Lakeshore. Long-term study of a detailed monitoring network has identified the large and small scale characteristics of the physical and chemical hydrogeology of the wetland system. The wetlands and related ground water display a complex hydrogeologic behavior, the transient nature of which is a function of stresses imposed by climatic factors and evapotranspiration. Transient hydrogeologic features vary in their scale and include mobile hydrologic boundaries that shift through time and space, and individual wetlands that regularly change their hydrologic regime and function within the whole wetland system. A conceptual model is developed that links different types of hydrologic behavior with different physical characteristics imposed by the progradational nature of the wetland system. Most waters in Miller Woods are near neutral pH, calcium bicarbonate type. Smaller-scale variations in the chemistry of bicarbonate, sulfate, and some metals result from micro and macrobiological influences. Observable impacts on water chemistry have occurred in some parts of the study area as a result of a nearby industrial landfill. Concentrations of essentially all ions are enriched, and found at their maximum values in the vicinity of the landfill.

  15. Browse by Discipline -- E-print Network Subject Pathways: Geosciences...

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    ... of Chemistry and Chemical Biology, Harvard University Lim, Sang-Hyun (Sang-Hyun Lim) ... of Chemistry and Chemical Biology, Harvard University Liu, Gang-yu (Gang-yu Liu) - ...

  16. Chemical Engineering

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    ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ... SunShot Grand Challenge: Regional Test Centers Chemical Engineering HomeTag:Chemical ...

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    of Biological and Ecological Engineering, Oregon State University Semprini, Lewis (Lewis Semprini) - School of Chemical, Biological, and Environmental Engineering, Oregon ...

  18. Browse by Discipline -- E-print Network Subject Pathways: Biotechnolog...

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    (Dongxiao Zhang) - Departments of Chemical Engineering and Materials Science & Civil and Environmental Engineering, University of Southern California Zhang, Fuqing (Fuqing ...

  19. Browse by Discipline -- E-print Network Subject Pathways: Physics...

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    - Department of Chemical Engineering, Queen's University (Kingston) Waldron, Kenneth J. (Kenneth J. Waldron) - Department of Mechanical Engineering, Stanford University Waleffe, ...

  20. Browse by Discipline -- E-print Network Subject Pathways: Environmenta...

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    Narayan, Ramani (Ramani Narayan) - Department of Chemical Engineering and Materials Science, Michigan State University Nash, Gregory D. (Gregory D. Nash) - Department of Civil and ...

  1. Browse by Discipline -- E-print Network Subject Pathways: Geosciences...

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    of Engineering and Applied Sciences, Harvard University Martnez, Todd J. (Todd J. ... of Chemistry and Chemical Biology, Harvard University Mller, Peter (Peter Mller) ...

  2. Browse by Discipline -- E-print Network Subject Pathways: Geosciences...

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    Xie, Xiaoliang Sunney (Xiaoliang Sunney Xie) - Department of Chemistry and Chemical Biology, Harvard University Xing, Bengang (Bengang Xing) - Division of Chemistry and Biological ...

  3. Browse by Discipline -- E-print Network Subject Pathways: Geosciences...

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    Jackson, Sophie (Sophie Jackson) - Department of Chemistry, University of Cambridge Jacobsen, Eric N. (Eric N. Jacobsen) - Department of Chemistry and Chemical Biology, Harvard ...

  4. Browse by Discipline -- E-print Network Subject Pathways: Fossil...

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    Xie, Xiaoliang Sunney (Xiaoliang Sunney Xie) - Department of Chemistry and Chemical Biology, Harvard University Xing, Bengang (Bengang Xing) - Division of Chemistry and Biological ...

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    Ray, Asok (Asok Ray) - Department of Mechanical and Nuclear Engineering, Pennsylvania State University Rochelle, Gary T. (Gary T. Rochelle) - Department of Chemical Engineering, ...

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    of Petroleum and Minerals Al-Khattaf, Sulaiman (Sulaiman Al-Khattaf) - Department of Chemical Engineering, King Fahd University of Petroleum and Minerals Al-Majed, Abdulaziz ...

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    W X Y Z Van Zee, John W. (John W. Van Zee) - Department of Chemical Engineering, University of South Carolina Varaiya, Pravin (Pravin Varaiya) - Department of Electrical ...

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    Carbon Dynamics and Estimation for Sustainable Management Program USDA Forest Service, ... States Utah State Universit - Department of Fisheries and Wildlife, Berryman Institute

  9. Chemical Sciences

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

    Chemical Sciences - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us ... ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ...

  10. Chemical Science

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    Chemical Science science-innovationassetsimagesicon-science.jpg Chemical Science National security depends on science and technology. The United States relies on Los Alamos ...

  11. Browse by Discipline -- E-print Network Subject Pathways: Geosciences...

    Office of Scientific and Technical Information (OSTI)

    H I J K L M N O P Q R S T U V W X Y Z Gao, Song (Song Gao) - College of Chemistry, Peking University Garfunkel, Eric (Eric Garfunkel) - Department of Chemistry and Chemical ...

  12. Browse by Discipline -- E-print Network Subject Pathways: Plasma...

    Office of Scientific and Technical Information (OSTI)

    F G H I J K L M N O P Q R S T U V W X Y Z Elimelech, Menachem (Menachem Elimelech) - Department of Chemical and Environmental Engineering, Yale University Go back to Individual ...

  13. Browse by Discipline -- E-print Network Subject Pathways: Fossil...

    Office of Scientific and Technical Information (OSTI)

    A B C D E F G H I J K L M N O P Q R S T U V W X Y Z Korea Advanced Institute of Science and Technology, Department of Chemical and Biomolecular Engineering, Metabolic & ...

  14. Browse by Discipline -- E-print Network Subject Pathways: Biology...

    Office of Scientific and Technical Information (OSTI)

    N O P Q R S T U V W X Y Z Mallinson, Richard (Richard Mallinson) - School of Chemical Engineering and Materials Science, University of Oklahoma Mohaghegh, Shahab (Shahab Mohaghegh) ...

  15. Studies in combustion dynamics

    SciTech Connect (OSTI)

    Koszykowski, M.L.

    1993-12-01

    The goal of this program is to develop a fundamental understanding and a quantitative predictive capability in combustion modeling. A large part of the understanding of the chemistry of combustion processes comes from {open_quotes}chemical kinetic modeling.{close_quotes} However, successful modeling is not an isolated activity. It necessarily involves the integration of methods and results from several diverse disciplines and activities including theoretical chemistry, elementary reaction kinetics, fluid mechanics and computational science. Recently the authors have developed and utilized new tools for parallel processing to implement the first numerical model of a turbulent diffusion flame including a {open_quotes}full{close_quotes} chemical mechanism.

  16. Communication: Ro-vibrational control of chemical reactivity in H+CH{sub 4}→ H{sub 2}+CH{sub 3} : Full-dimensional quantum dynamics calculations and a sudden model

    SciTech Connect (OSTI)

    Welsch, Ralph Manthe, Uwe

    2014-08-07

    The mode-selective chemistry of the title reaction is studied by full-dimensional quantum dynamics simulation on an accurate ab initio potential energy surface for vanishing total angular momentum. Using a rigorous transition state based approach and multi-configurational time-dependent Hartree wave packet propagation, initial state-selected reaction probabilities for many ro-vibrational states of methane are calculated. The theoretical results are compared with experimental trends seen in reactions of methane. An intuitive interpretation of the ro-vibrational control of the chemical reactivity provided by a sudden model based on the quantum transition state concept is discussed.

  17. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Print To study the origins of different ... of California, San Diego is using ALS Chemical Dynamics Beamline 9.0.2 to mimic ...

  18. Chemical Management

    Energy Savers [EERE]

    DOE-HDBK-11391-2006 May 2006 DOE HANDBOOK CHEMICAL MANAGEMENT (Volume 1 of 3) U.S. ... and contractor managers in assessing chemical hazard management and is approved for ...

  19. Multi-discipline Waste Acceptance Process at the Nevada National Security Site - 13573

    SciTech Connect (OSTI)

    Carilli, Jhon T. [US Department Of Energy, Nevada Site Office, P. O. Box 98518, Las Vegas, Nevada 89193-8518 (United States)] [US Department Of Energy, Nevada Site Office, P. O. Box 98518, Las Vegas, Nevada 89193-8518 (United States); Krenzien, Susan K. [Navarro-Intera, LLC, P. O. Box 98952, Las Vegas, Nevada 89193-8952 (United States)] [Navarro-Intera, LLC, P. O. Box 98952, Las Vegas, Nevada 89193-8952 (United States)

    2013-07-01

    The Nevada National Security Site low-level radioactive waste disposal facility acceptance process requires multiple disciplines to ensure the protection of workers, the public, and the environment. These disciplines, which include waste acceptance, nuclear criticality, safety, permitting, operations, and performance assessment, combine into the overall waste acceptance process to assess low-level radioactive waste streams for disposal at the Area 5 Radioactive Waste Management Site. Four waste streams recently highlighted the integration of these disciplines: the Oak Ridge Radioisotope Thermoelectric Generators and Consolidated Edison Uranium Solidification Project material, West Valley Melter, and classified waste. (authors)

  20. Chemical Recycling | Y-12 National Security Complex

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

    Chemical Recycling Chemical Recycling

  1. Chemical microsensors

    DOE Patents [OSTI]

    Li, DeQuan; Swanson, Basil I.

    1995-01-01

    An article of manufacture is provided including a substrate having an oxide surface layer and a selective thin film of a cyclodextrin derivative chemically bound upon said substrate, said film is adapted for the inclusion of a selected organic compound therewith. Such an article can be either a chemical sensor capable of detecting a resultant mass change from inclusion of the selected organic compound or a chemical separator capable of reversibly selectively separating a selected organic compound.

  2. Chemical sensors

    DOE Patents [OSTI]

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1991-07-02

    Sensors responsive to small changes in the concentration of chemical species are disclosed. The sensors comprise a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment. They are operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical response. 9 figures.

  3. Chemical preconcentrator

    DOE Patents [OSTI]

    Manginell, Ronald P.; Frye-Mason, Gregory C.

    2001-01-01

    A chemical preconcentrator is disclosed with applications to chemical sensing and analysis. The preconcentrator can be formed by depositing a resistive heating element (e.g. platinum) over a membrane (e.g. silicon nitride) suspended above a substrate. A coating of a sorptive material (e.g. a microporous hydrophobic sol-gel coating or a polymer coating) is formed on the suspended membrane proximate to the heating element to selective sorb one or more chemical species of interest over a time period, thereby concentrating the chemical species in the sorptive material. Upon heating the sorptive material with the resistive heating element, the sorbed chemical species are released for detection and analysis in a relatively high concentration and over a relatively short time period. The sorptive material can be made to selectively sorb particular chemical species of interest while not substantially sorbing other chemical species not of interest. The present invention has applications for use in forming high-sensitivity, rapid-response miniaturized chemical analysis systems (e.g. a "chem lab on a chip").

  4. Chemical sensors

    DOE Patents [OSTI]

    Lowell, Jr., James R.; Edlund, David J.; Friesen, Dwayne T.; Rayfield, George W.

    1991-01-01

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising (a) a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, operatively coupled to (b) a transducer capable of directly converting said expansion or contraction to a measurable electrical response.

  5. DOE Chair of Excellence Professorship in Environmental Disciplines

    SciTech Connect (OSTI)

    Shoou-Yuh Chang

    2013-01-31

    The United States (US) nuclear weapons program during the Cold War left a legacy of radioactive, hazardous, chemical wastes and facilities that may seriously harm the environment and people even today. Widespread public concern about the environmental pollution has created an extraordinary demand for the treatment and disposal of wastes in a manner to protect the public health and safety. The pollution abatement and environmental protection require an understanding of technical, regulatory, economic, permitting, institutional, and public policy issues. Scientists and engineers have a major role in this national effort to clean our environment, especially in developing alternative solutions and evaluation criteria and designing the necessary facilities to implement the solutions. The objective of the DOE Chair of Excellence project is to develop a high quality educational and research program in environmental engineering at North Carolina A&T State University (A&T). This project aims to increase the number of graduate and undergraduate students trained in environmental areas while developing a faculty concentrated in environmental education and research. Although A&T had a well developed environmental program prior to the Massie Chair grant, A&T's goal is to become a model of excellence in environmental engineering through the program's support. The program will provide a catalyst to enhance collaboration of faculty and students among various engineering departments to work together in a focus research area. The collaboration will be expanded to other programs at A&T. The past research focus areas include: hazardous and radioactive waste treatment and disposal fate and transport of hazardous chemicals in the environment innovative technologies for hazardous waste site remediation pollution prevention Starting from 2005, the new research focus was in the improvement of accuracy for radioactive contaminant transport models by ensemble based data assimilation. The specific objectives are to: 1). improve model accuracy for use in minimizing health and environmental risk, and 2). improve the decision making process in the selection and application of available technologies for long-term monitoring and safeguard operation at NNSA sites.

  6. Chemical sensors

    DOE Patents [OSTI]

    Lowell, Jr., James R.; Edlund, David J.; Friesen, Dwayne T.; Rayfield, George W.

    1992-01-01

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising a mechanicochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, either operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical or optical response, or adhered to a second inert polymeric strip, or doped with a conductive material.

  7. Chemical sensors

    DOE Patents [OSTI]

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1992-06-09

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising a mechanicochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, either operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical or optical response, or adhered to a second inert polymeric strip, or doped with a conductive material. 12 figs.

  8. DOE contractor's meeting on chemical toxicity

    SciTech Connect (OSTI)

    Not Available

    1987-01-01

    The Office of Health and Environmental Research (OHER) is required to determine the potential health and environmental effects associated with energy production and use. To ensure appropriate communication among investigators and scientific disciplines that these research studies represent, OHER has sponsored workshops. This document provides a compilation of activities at the Third Annual DOE/OHER Workshop. This year's workshop was broadened to include all OHER activities identified as within the chemical effects area. The workshop consisted of eight sessions entitled Isolation and Detection of Toxic chemicals; Adduct Formation and Repair; Chemical Toxicity (Posters); Metabolism and Genotoxicity; Inhalation Toxicology; Gene Regulation; Metals Toxicity; and Biological Mechanisms. This document contains abstracts of the information presented by session.

  9. Chemical Occurrences

    Broader source: Energy.gov [DOE]

    Classification of Chemical Occurrence Reports into the following four classes: Occurrences characterized by serious energy release, injury or exposure requiring medical treatment, or severe environmental damage, Occurrences characterized by minor injury or exposure, or reportable environmental release, Occurrences that were near misses including notable safety violations and Minor occurrences.

  10. CAMD Cleanroom Chemical List

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

    CAMD Cleanroom Chemical List Chemicals on this list are routine use chemicals in the CAMD ... Data Sheets and or Website. All chemical MSDS sheets are the hyperlink "(MSDS)" ...

  11. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Studying the Solar System's Chemical Recipe Print Tuesday, 26 March 2013 00:00 To study the origins of different isotope ratios among the elements that make up today's smorgasbord of planets, moons, comets, asteroids, and interplanetary ice and dust, a team of scientists from the University of California, San Diego is using ALS Chemical Dynamics Beamline 9.0.2 to mimic radiation from the protosun when the solar system was forming. For more than three

  12. System Dynamics Model | NISAC

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

    NISACSystem Dynamics Model

  13. Microfluidic chemical reaction circuits

    DOE Patents [OSTI]

    Lee, Chung-cheng; Sui, Guodong; Elizarov, Arkadij; Kolb, Hartmuth C.; Huang, Jiang; Heath, James R.; Phelps, Michael E.; Quake, Stephen R.; Tseng, Hsian-rong; Wyatt, Paul; Daridon, Antoine

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  14. Chemical Management System

    Energy Science and Technology Software Center (OSTI)

    1998-10-30

    CMS provides an inventory of all chemicals on order or being held in the laboratory, to provide a specific location for all chemical containers, to ensure that health and safety regulatory codes are being upheld, and to provide PNNL staff with hazardous chemical information to better manage their inventories. CMS is comprised of five major modules: 1) chemical purchasing, 2) chemical inventory, 3) chemical names, properties, and hazard groups, 4) reporting, and 5) system administration.

  15. Chemical Industry Corrosion Management

    SciTech Connect (OSTI)

    2003-02-01

    Improved Corrosion Management Could Provide Significant Cost and Energy Savings for the Chemical Industry. In the chemical industry, corrosion is often responsible for significant shutdown and maintenance costs.

  16. Chemical Sector Analysis | NISAC

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

    NISACChemical Sector Analysis content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed ...

  17. Electro-Chemical Processes

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

    Electro-Chemical Processes - Sandia Energy Energy Search Icon Sandia Home Locations ... ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ...

  18. Chemical Processing Qualification Standard

    Office of Environmental Management (EM)

    6-2010 February 2010 DOE STANDARD CHEMICAL PROCESSING QUALIFICATION STANDARD DOE Defense ... River Operations Office is the sponsor for the Chemical Processing Qualification Standard. ...

  19. Chemical Diagnostics and Engineering

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

    CDE Chemical Diagnostics and Engineering We support stockpile manufacturing, surveillance, ... for nuclear safeguard monitoring The Chemical Diagnostics and Engineering (C-CDE) ...

  20. Chemical & Engineering News

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

    ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ... SunShot Grand Challenge: Regional Test Centers Chemical & Engineering News Home...

  1. Chemical Sciences Project Description

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

    & Simulation for the Chemical Sciences Project Description Almos every scientific activity at Los Alamos involves data analysis and modeling. From a chemical sciences point of ...

  2. Dudley Herschbach: Chemical Reactions and Molecular Beams

    Office of Scientific and Technical Information (OSTI)

    Dudley Herschbach: Chemical Reactions and Molecular Beams Resources with Additional Information Dudley Herschbach Courtesy of Texas A&M University As a co-recipient of the 1986 Nobel Prize in Chemistry, 'Dudley Herschbach was cited for "providing a much more detailed understanding of how chemical reactions take place". Using molecular beams, he studied elementary reactions such as K + CH3I and K + Br2, where it became possible to correlate reaction dynamics with the electronic

  3. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Print To study the origins of different isotope ratios among the elements that make up today's smorgasbord of planets, moons, comets, asteroids, and interplanetary ice and dust, a team of scientists from the University of California, San Diego is using ALS Chemical Dynamics Beamline 9.0.2 to mimic radiation from the protosun when the solar system was forming. For more than three decades, Mark Thiemens, Dean of the Division of Physical Sciences at UCSD,

  4. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Print To study the origins of different isotope ratios among the elements that make up today's smorgasbord of planets, moons, comets, asteroids, and interplanetary ice and dust, a team of scientists from the University of California, San Diego is using ALS Chemical Dynamics Beamline 9.0.2 to mimic radiation from the protosun when the solar system was forming. For more than three decades, Mark Thiemens, Dean of the Division of Physical Sciences at UCSD,

  5. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Print To study the origins of different isotope ratios among the elements that make up today's smorgasbord of planets, moons, comets, asteroids, and interplanetary ice and dust, a team of scientists from the University of California, San Diego is using ALS Chemical Dynamics Beamline 9.0.2 to mimic radiation from the protosun when the solar system was forming. For more than three decades, Mark Thiemens, Dean of the Division of Physical Sciences at UCSD,

  6. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Print To study the origins of different isotope ratios among the elements that make up today's smorgasbord of planets, moons, comets, asteroids, and interplanetary ice and dust, a team of scientists from the University of California, San Diego is using ALS Chemical Dynamics Beamline 9.0.2 to mimic radiation from the protosun when the solar system was forming. For more than three decades, Mark Thiemens, Dean of the Division of Physical Sciences at UCSD,

  7. ITP Chemicals: Chemical Industry of the Future: New Biocatalysts...

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

    Chemical Industry of the Future: New Biocatalysts: Essential Tools for a Sustainable 21st Century Chemical Industry ITP Chemicals: Chemical Industry of the Future: New ...

  8. Institute of Chemical Engineering and High Temperature Chemical...

    Open Energy Info (EERE)

    Chemical Engineering and High Temperature Chemical Processes ICEHT Jump to: navigation, search Name: Institute of Chemical Engineering and High Temperature Chemical Processes...

  9. Multimedia regulated chemicals

    SciTech Connect (OSTI)

    Lee, C.C.; Huffman, G.L.; Mao, Y.L.

    1999-10-01

    This article examines those chemicals that are listed in either environmental laws or regulations. Its objective is to help readers determine which laws regulate what types of chemicals and which types of chemicals are regulated by what laws. It is multimedia in scope, describing the various chemicals that are regulated in the different media (i.e., air, water, or land).

  10. Chemical Safety Program

    Office of Energy Efficiency and Renewable Energy (EERE)

    The Department of Energy's (DOE's) Chemical Safety Program provides a forum for the exchange of best practices, lessons learned, and guidance in the area of chemical management. This content is supported by the Chemical Safety Topical Committee which was formed to identify chemical safety-related issues of concern to the DOE and pursue solutions to issues identified.

  11. Chemical Management Contacts

    Broader source: Energy.gov [DOE]

    Contacts for additional information on Chemical Management and brief description on Energy Facility Contractors Group

  12. Chemical Sciences Division annual report 1994

    SciTech Connect (OSTI)

    1995-06-01

    The division is one of ten LBL research divisions. It is composed of individual research groups organized into 5 scientific areas: chemical physics, inorganic/organometallic chemistry, actinide chemistry, atomic physics, and chemical engineering. Studies include structure and reactivity of critical reaction intermediates, transients and dynamics of elementary chemical reactions, and heterogeneous and homogeneous catalysis. Work for others included studies of superconducting properties of high-{Tc} oxides. In FY 1994, the division neared completion of two end-stations and a beamline for the Advanced Light Source, which will be used for combustion and other studies. This document presents summaries of the studies.

  13. PINS chemical identification software

    DOE Patents [OSTI]

    Caffrey, Augustine J.; Krebs, Kennth M.

    2004-09-14

    An apparatus and method for identifying a chemical compound. A neutron source delivers neutrons into the chemical compound. The nuclei of chemical elements constituting the chemical compound emit gamma rays upon interaction with the neutrons. The gamma rays are characteristic of the chemical elements constituting the chemical compound. A spectrum of the gamma rays is generated having a detection count and an energy scale. The energy scale is calibrated by comparing peaks in the spectrum to energies of pre-selected chemical elements in the spectrum. A least-squares fit completes the calibration. The chemical elements constituting the chemical compound can be readily determined, which then allows for identification of the chemical compound.

  14. Chemicals | Department of Energy

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

    Chemicals Chemicals The U.S. chemicals industry is maturing and optimizing its business portfolio for more competitive global markets. Over the past decade, the industry has reduced its energy use, shifting its status from the largest to the second-largest energy user among U.S. industries. The chemicals industry has worked in partnership with AMO to develop a range of resources for improving energy efficiency. Some current R&D projects and Energy Management resources will benefit chemicals

  15. Capacitive chemical sensor

    DOE Patents [OSTI]

    Manginell, Ronald P; Moorman, Matthew W; Wheeler, David R

    2014-05-27

    A microfabricated capacitive chemical sensor can be used as an autonomous chemical sensor or as an analyte-sensitive chemical preconcentrator in a larger microanalytical system. The capacitive chemical sensor detects changes in sensing film dielectric properties, such as the dielectric constant, conductivity, or dimensionality. These changes result from the interaction of a target analyte with the sensing film. This capability provides a low-power, self-heating chemical sensor suitable for remote and unattended sensing applications. The capacitive chemical sensor also enables a smart, analyte-sensitive chemical preconcentrator. After sorption of the sample by the sensing film, the film can be rapidly heated to release the sample for further analysis. Therefore, the capacitive chemical sensor can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

  16. Chemical Industry Bandwidth Study

    SciTech Connect (OSTI)

    none,

    2006-12-01

    The Chemical Bandwidth Study provides a snapshot of potentially recoverable energy losses during chemical manufacturing. The advantage of this study is the use of "exergy" analysis as a tool for pinpointing inefficiencies.

  17. Chemicals Industry Vision

    SciTech Connect (OSTI)

    none,

    1996-12-01

    Chemical industry leaders articulated a long-term vision for the industry, its markets, and its technology in the groundbreaking 1996 document Technology Vision 2020 - The U.S. Chemical Industry. (PDF 310 KB).

  18. ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A...

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

    chemicalbandwidthreport.pdf More Documents & Publications ITP Chemicals: Final Report: ... Acid, December 2007 Bandwidth Study U.S. Chemical Manufacturing ITP Chemicals: Energy and ...

  19. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Real-Time Chemical Imaging of Bacterial Biofilm Development Print Wednesday, 25 August 2010 00:00 Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively,

  20. Gas Phase Chemical Physics | U.S. DOE Office of Science (SC)

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

    Gas Phase Chemical Physics Chemical Sciences, Geosciences, & Biosciences (CSGB) Division CSGB Home About Research Areas Energy Frontier Research Centers (EFRCs) DOE Energy Innovation Hubs Reports and Activities Science Highlights Principal Investigators' Meetings BES Home Research Areas Gas Phase Chemical Physics Print Text Size: A A A FeedbackShare Page Gas Phase Chemical Physics (GPCP) research emphasizes studies of the dynamics and rates of chemical reactions at energies characteristic of

  1. Apparatus for chemical synthesis

    DOE Patents [OSTI]

    Kong, Peter C.; Herring, J. Stephen; Grandy, Jon D.

    2011-05-10

    A method and apparatus for forming a chemical hydride is described and which includes a pseudo-plasma-electrolysis reactor which is operable to receive a solution capable of forming a chemical hydride and which further includes a cathode and a movable anode, and wherein the anode is moved into and out of fluidic, ohmic electrical contact with the solution capable of forming a chemical hydride and which further, when energized produces an oxygen plasma which facilitates the formation of a chemical hydride in the solution.

  2. Field emission chemical sensor

    DOE Patents [OSTI]

    Panitz, J.A.

    1983-11-22

    A field emission chemical sensor for specific detection of a chemical entity in a sample includes a closed chamber enclosing two field emission electrode sets, each field emission electrode set comprising (a) an electron emitter electrode from which field emission electrons can be emitted when an effective voltage is connected to the electrode set; and (b) a collector electrode which will capture said electrons emitted from said emitter electrode. One of the electrode sets is passive to the chemical entity and the other is active thereto and has an active emitter electrode which will bind the chemical entity when contacted therewith.

  3. Process Intensification - Chemical Sector Focus

    Energy Savers [EERE]

    Process Intensification - Chemical Sector Focus 1 Technology Assessment 2 Contents 3 1. ......... 5 5 2.1 Chemical Industry Focus ......

  4. Tortuous path chemical preconcentrator

    DOE Patents [OSTI]

    Manginell, Ronald P.; Lewis, Patrick R.; Adkins, Douglas R.; Wheeler, David R.; Simonson, Robert J.

    2010-09-21

    A non-planar, tortuous path chemical preconcentrator has a high internal surface area having a heatable sorptive coating that can be used to selectively collect and concentrate one or more chemical species of interest from a fluid stream that can be rapidly released as a concentrated plug into an analytical or microanalytical chain for separation and detection. The non-planar chemical preconcentrator comprises a sorptive support structure having a tortuous flow path. The tortuosity provides repeated twists, turns, and bends to the flow, thereby increasing the interfacial contact between sample fluid stream and the sorptive material. The tortuous path also provides more opportunities for desorption and readsorption of volatile species. Further, the thermal efficiency of the tortuous path chemical preconcentrator is comparable or superior to the prior non-planar chemical preconcentrator. Finally, the tortuosity can be varied in different directions to optimize flow rates during the adsorption and desorption phases of operation of the preconcentrator.

  5. ITP Chemicals: Chemical Industry of the Future: New Biocatalysts: Essential

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

    Tools for a Sustainable 21st Century Chemical Industry | Department of Energy Chemical Industry of the Future: New Biocatalysts: Essential Tools for a Sustainable 21st Century Chemical Industry ITP Chemicals: Chemical Industry of the Future: New Biocatalysts: Essential Tools for a Sustainable 21st Century Chemical Industry PDF icon biocatalysis_roadmap.pdf More Documents & Publications TECHNOLOGY VISION 2020: The U.S. Chemical Industry Gasoline Biodesulfurization Fact Sheet Breaking the

  6. Chemical process hazards analysis

    SciTech Connect (OSTI)

    1996-02-01

    The Office of Worker Health and Safety (EH-5) under the Assistant Secretary for the Environment, Safety and Health of the US Department (DOE) has published two handbooks for use by DOE contractors managing facilities and processes covered by the Occupational Safety and Health Administration (OSHA) Rule for Process Safety Management of Highly Hazardous Chemicals (29 CFR 1910.119), herein referred to as the PSM Rule. The PSM Rule contains an integrated set of chemical process safety management elements designed to prevent chemical releases that can lead to catastrophic fires, explosions, or toxic exposures. The purpose of the two handbooks, ``Process Safety Management for Highly Hazardous Chemicals`` and ``Chemical Process Hazards Analysis,`` is to facilitate implementation of the provisions of the PSM Rule within the DOE. The purpose of this handbook ``Chemical Process Hazards Analysis,`` is to facilitate, within the DOE, the performance of chemical process hazards analyses (PrHAs) as required under the PSM Rule. It provides basic information for the performance of PrHAs, and should not be considered a complete resource on PrHA methods. Likewise, to determine if a facility is covered by the PSM rule, the reader should refer to the handbook, ``Process Safety Management for Highly Hazardous Chemicals`` (DOE- HDBK-1101-96). Promulgation of the PSM Rule has heightened the awareness of chemical safety management issues within the DOE. This handbook is intended for use by DOE facilities and processes covered by the PSM rule to facilitate contractor implementation of the PrHA element of the PSM Rule. However, contractors whose facilities and processes not covered by the PSM Rule may also use this handbook as a basis for conducting process hazards analyses as part of their good management practices. This handbook explains the minimum requirements for PrHAs outlined in the PSM Rule. Nowhere have requirements been added beyond what is specifically required by the rule.

  7. Selecting chemical treatment programs

    SciTech Connect (OSTI)

    Miller, J.E. )

    1988-09-01

    Many process equipment performance and reliability problems can be solved economically by the proper selection and application of chemical treatment programs. It is important to choose an experienced chemical vendor and to work closely with the vendor to develop a good chemical treatment program. This requires devoting sufficient manpower to ensure that the treatment program development is thorough and timely. After the treatment program is installed, the system operation and performance should be routinely monitored to ensure that expected benefits are achieved and unexpected problems do not develop.

  8. Simple Dynamic Gasifier Model That Runs in Aspen Dynamics

    SciTech Connect (OSTI)

    Robinson, P.J.; Luyben, W.L.

    2008-10-15

    Gasification (or partial oxidation) is a vital component of 'clean coal' technology. Sulfur and nitrogen emissions can be reduced, overall energy efficiency is increased, and carbon dioxide recovery and sequestration are facilitated. Gasification units in an electric power generation plant produce a fuel for driving combustion turbines. Gasification units in a chemical plant generate gas, which can be used to produce a wide spectrum of chemical products. Future plants are predicted to be hybrid power/chemical plants with gasification as the key unit operation. The widely used process simulator Aspen Plus provides a library of models that can be used to develop an overall gasifier model that handles solids. So steady-state design and optimization studies of processes with gasifiers can be undertaken. This paper presents a simple approximate method for achieving the objective of having a gasifier model that can be exported into Aspen Dynamics. The basic idea is to use a high molecular weight hydrocarbon that is present in the Aspen library as a pseudofuel. This component should have the same 1:1 hydrogen-to-carbon ratio that is found in coal and biomass. For many plantwide dynamic studies, a rigorous high-fidelity dynamic model of the gasifier is not needed because its dynamics are very fast and the gasifier gas volume is a relatively small fraction of the total volume of the entire plant. The proposed approximate model captures the essential macroscale thermal, flow, composition, and pressure dynamics. This paper does not attempt to optimize the design or control of gasifiers but merely presents an idea of how to dynamically simulate coal gasification in an approximate way.

  9. Enhanced Chemical Cleaning

    SciTech Connect (OSTI)

    Spires, Renee H.

    2010-11-01

    Renee Spires, Project Manager at Savannah River Remediation, opens Session 3 (Accelerated Waste Retrieval and Closure: Key Technologies) at the 2010 EM Waste Processing Technical Exchange with a talk on enhanced chemical cleaning.

  10. Chemicals from coal

    SciTech Connect (OSTI)

    Harold A. Wittcoff; Bryan G. Reuben; Jeffrey S. Plotkin

    2004-12-01

    This chapter contains sections titled: Chemicals from Coke Oven Distillate; The Fischer-Tropsch Reaction; Coal Hydrogenation; Substitute Natural Gas (SNG); Synthesis Gas Technology; Calcium Carbide; Coal and the Environment; and Notes and References

  11. American Chemical Society Fellows

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

    selected as American Chemical Society Fellows August 7, 2014 Chamberlin and Porterfield named ACS Fellows LOS ALAMOS, N.M., Aug. 7, 2014-Rebecca Chamberlin and Donivan Porterfield, both of Los Alamos National Laboratory's Actinide Analytical Chemistry group, have been selected as a 2014 Fellows of the American Chemical Society (ACS). Rebecca Chamberlin An inorganic chemist and radiochemist, Chamberlin is currently the co-principal investigator for development of novel microreactor-based systems

  12. ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool

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

    for Identifying Process Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary Report, December 2006 | Department of Energy Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary Report, December 2006 ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical

  13. Quantitative genetic activity graphical profiles for use in chemical evaluation

    SciTech Connect (OSTI)

    Waters, M.D.; Stack, H.F.; Garrett, N.E.; Jackson, M.A.

    1990-12-31

    A graphic approach, terms a Genetic Activity Profile (GAP), was developed to display a matrix of data on the genetic and related effects of selected chemical agents. The profiles provide a visual overview of the quantitative (doses) and qualitative (test results) data for each chemical. Either the lowest effective dose or highest ineffective dose is recorded for each agent and bioassay. Up to 200 different test systems are represented across the GAP. Bioassay systems are organized according to the phylogeny of the test organisms and the end points of genetic activity. The methodology for producing and evaluating genetic activity profile was developed in collaboration with the International Agency for Research on Cancer (IARC). Data on individual chemicals were compiles by IARC and by the US Environmental Protection Agency (EPA). Data are available on 343 compounds selected from volumes 1-53 of the IARC Monographs and on 115 compounds identified as Superfund Priority Substances. Software to display the GAPs on an IBM-compatible personal computer is available from the authors. Structurally similar compounds frequently display qualitatively and quantitatively similar profiles of genetic activity. Through examination of the patterns of GAPs of pairs and groups of chemicals, it is possible to make more informed decisions regarding the selection of test batteries to be used in evaluation of chemical analogs. GAPs provided useful data for development of weight-of-evidence hazard ranking schemes. Also, some knowledge of the potential genetic activity of complex environmental mixtures may be gained from an assessment of the genetic activity profiles of component chemicals. The fundamental techniques and computer programs devised for the GAP database may be used to develop similar databases in other disciplines. 36 refs., 2 figs.

  14. Dynamic imaging with electron microscopy

    ScienceCinema (OSTI)

    Campbell, Geoffrey; McKeown, Joe; Santala, Melissa

    2014-05-30

    Livermore researchers have perfected an electron microscope to study fast-evolving material processes and chemical reactions. By applying engineering, microscopy, and laser expertise to the decades-old technology of electron microscopy, the dynamic transmission electron microscope (DTEM) team has developed a technique that can capture images of phenomena that are both very small and very fast. DTEM uses a precisely timed laser pulse to achieve a short but intense electron beam for imaging. When synchronized with a dynamic event in the microscope's field of view, DTEM allows scientists to record and measure material changes in action. A new movie-mode capability, which earned a 2013 R&D 100 Award from R&D Magazine, uses up to nine laser pulses to sequentially capture fast, irreversible, even one-of-a-kind material changes at the nanometer scale. DTEM projects are advancing basic and applied materials research, including such areas as nanostructure growth, phase transformations, and chemical reactions.

  15. Chemical Inventory | Sample Preparation Laboratories

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

    Chemical Inventory Use the following dropdown menus to filter the results for chemical records. To reset the results clear the entries and click "update". Facility - Any - SSRL ...

  16. Chemical Kinetics of Combustion Processes

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

    Combustion (work-in-progress) * Chemical kinetic submodel of iso-butanol ... oxidation of isobutane and isobutene. * Chemical kinetic submodel of iso-butanol ...

  17. Chemical Supply Chain Analysis | NISAC

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

    Chemical Supply Chain Analysis NISAC has developed a range of capabilities for analyzing the consequences of disruptions to the chemical manufacturing industry. Each capability ...

  18. Chemical Physics | The Ames Laboratory

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

    Key Scientific Personnel: Da-Jiang Liu, Michael Schmidt. The theoretical Chemical Physics ... of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences ...

  19. Photodissociation Dynamics

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

    Photodissociation Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs

  20. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  1. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  2. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  3. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  4. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  5. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  6. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  7. Real-Time Chemical Imaging of Bacterial Biofilm Development

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

    Real-Time Chemical Imaging of Bacterial Biofilm Development Print Scientists have developed a robust and label-free method to probe the chemical underpinnings of developing bacterial biofilms. Almost all bacteria can form biofilms-dynamic communities of cells enclosed in self-produced matrices of polymers that stick to other bacteria or surfaces in water-containing environments. Coordinated collectively, these bacteria defend against antagonists, break down recalcitrant materials, and produce

  8. Theoretical studies of the dynamics of chemical reactions

    SciTech Connect (OSTI)

    Wagner, A.F.

    1993-12-01

    Recent research effort has focussed on several reactions pertinent to combustion. The formation of the formyl radical from atomic hydrogen and carbon monoxide, recombination of alkyl radicals and halo-alkyl radicals with halogen atoms, and the thermal dissociation of hydrogen cyanide and acetylene have been studied by modeling. In addition, the inelastic collisions of NCO with helium have been investigated.

  9. Micromachined chemical jet dispenser

    DOE Patents [OSTI]

    Swierkowski, S.P.

    1999-03-02

    A dispenser is disclosed for chemical fluid samples that need to be precisely ejected in size, location, and time. The dispenser is a micro-electro-mechanical systems (MEMS) device fabricated in a bonded silicon wafer and a substrate, such as glass or silicon, using integrated circuit-like fabrication technology which is amenable to mass production. The dispensing is actuated by ultrasonic transducers that efficiently produce a pressure wave in capillaries that contain the chemicals. The 10-200 {micro}m diameter capillaries can be arranged to focus in one spot or may be arranged in a larger dense linear array (ca. 200 capillaries). The dispenser is analogous to some ink jet print heads for computer printers but the fluid is not heated, thus not damaging certain samples. Major applications are in biological sample handling and in analytical chemical procedures such as environmental sample analysis, medical lab analysis, or molecular biology chemistry experiments. 4 figs.

  10. Micromachined chemical jet dispenser

    DOE Patents [OSTI]

    Swierkowski, Steve P.

    1999-03-02

    A dispenser for chemical fluid samples that need to be precisely ejected in size, location, and time. The dispenser is a micro-electro-mechanical systems (MEMS) device fabricated in a bonded silicon wafer and a substrate, such as glass or silicon, using integrated circuit-like fabrication technology which is amenable to mass production. The dispensing is actuated by ultrasonic transducers that efficiently produce a pressure wave in capillaries that contain the chemicals. The 10-200 .mu.m diameter capillaries can be arranged to focus in one spot or may be arranged in a larger dense linear array (.about.200 capillaries). The dispenser is analogous to some ink jet print heads for computer printers but the fluid is not heated, thus not damaging certain samples. Major applications are in biological sample handling and in analytical chemical procedures such as environmental sample analysis, medical lab analysis, or molecular biology chemistry experiments.

  11. Equilibria in Chemical Systems

    Energy Science and Technology Software Center (OSTI)

    1992-01-01

    SOLGASMIX-PV calculates equilibrium relationships in complex chemical systems. Chemical equilibrium calculations involve finding the system composition, within certain constraints, which contains the minimum free energy. The constraints are the preservation of the masses of each element present and either constant pressure or volume. SOLGASMIX-PV can calculate equilibria in systems containing a gaseous phase, condensed phase solutions, and condensed phases of invariant and variable stoichiometry. Either a constant total gas volume or a constant total pressuremore » can be assumed. Unit activities for condensed phases and ideality for solutions are assumed, although nonideal systems can be handled provided activity coefficient relationships are available.« less

  12. Earth materials and earth dynamics

    SciTech Connect (OSTI)

    Bennett, K; Shankland, T.

    2000-11-01

    In the project ''Earth Materials and Earth Dynamics'' we linked fundamental and exploratory, experimental, theoretical, and computational research programs to shed light on the current and past states of the dynamic Earth. Our objective was to combine different geological, geochemical, geophysical, and materials science analyses with numerical techniques to illuminate active processes in the Earth. These processes include fluid-rock interactions that form and modify the lithosphere, non-linear wave attenuations in rocks that drive plate tectonics and perturb the earth's surface, dynamic recrystallization of olivine that deforms the upper mantle, development of texture in high-pressure olivine polymorphs that create anisotropic velocity regions in the convecting upper mantle and transition zone, and the intense chemical reactions between the mantle and core. We measured physical properties such as texture and nonlinear elasticity, equation of states at simultaneous pressures and temperatures, magnetic spins and bonding, chemical permeability, and thermal-chemical feedback to better characterize earth materials. We artificially generated seismic waves, numerically modeled fluid flow and transport in rock systems and modified polycrystal plasticity theory to interpret measured physical properties and integrate them into our understanding of the Earth. This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  13. NETL - Chemical Looping Reactor

    ScienceCinema (OSTI)

    None

    2014-06-26

    NETL's Chemical Looping Reactor unit is a high-temperature integrated CLC process with extensive instrumentation to improve computational simulations. A non-reacting test unit is also used to study solids flow at ambient temperature. The CLR unit circulates approximately 1,000 pounds per hour at temperatures around 1,800 degrees Fahrenheit.

  14. NETL - Chemical Looping Reactor

    SciTech Connect (OSTI)

    2013-07-24

    NETL's Chemical Looping Reactor unit is a high-temperature integrated CLC process with extensive instrumentation to improve computational simulations. A non-reacting test unit is also used to study solids flow at ambient temperature. The CLR unit circulates approximately 1,000 pounds per hour at temperatures around 1,800 degrees Fahrenheit.

  15. Scattering Dynamics

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

    Scattering Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs Advanced

  16. Chemicals Industry Profile | Department of Energy

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

    Chemicals Industry Profile Chemicals Industry Profile Chemical products are essential to ... Economic The United States is the top chemical producer in the world, accounting for ...

  17. Category:Chemical Logging | Open Energy Information

    Open Energy Info (EERE)

    Chemical Logging Jump to: navigation, search Geothermalpower.jpg Looking for the Chemical Logging page? For detailed information on Chemical Logging, click here. Category:Chemical...

  18. Chemical segregation in metallic glass nanowires

    SciTech Connect (OSTI)

    Zhang, Qi; Li, Mo; Li, Qi-Kai

    2014-11-21

    Nanowires made of metallic glass have been actively pursued recently due to the superb and unique properties over those of the crystalline materials. The amorphous nanowires are synthesized either at high temperature or via mechanical disruption using focused ion beam. These processes have potential to cause significant changes in structure and chemical concentration, as well as formation of defect or imperfection, but little is known to date about the possibilities and mechanisms. Here, we report chemical segregation to surfaces and its mechanisms in metallic glass nanowires made of binary Cu and Zr elements from molecular dynamics simulation. Strong concentration deviation are found in the nanowires under the conditions similar to these in experiment via focused ion beam processing, hot imprinting, and casting by rapid cooling from liquid state. Our analysis indicates that non-uniform internal stress distribution is a major cause for the chemical segregation, especially at low temperatures. Extension is discussed for this observation to multicomponent metallic glass nanowires as well as the potential applications and side effects of the composition modulation. The finding also points to the possibility of the mechanical-chemical process that may occur in different settings such as fracture, cavitation, and foams where strong internal stress is present in small length scales.

  19. Electro-Chemical Processes

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

    Electro-Chemical Processes - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs

  20. Spectroscopic probes of vibrationally excited molecules at chemically significant energies

    SciTech Connect (OSTI)

    Rizzo, T.R.

    1993-12-01

    This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

  1. Chemical Management Volume 3 of 3 - Consolidated Chemical User...

    Energy Savers [EERE]

    DOE-HDBK-11393-2008 July 2008 DOE HANDBOOK CHEMICAL MANAGEMENT (Volume 3 of 3) Consolidated Chemical User Safety and Health Requirements U.S. Department of Energy AREA SAFT ...

  2. SIAM conference on applications of dynamical systems

    SciTech Connect (OSTI)

    Not Available

    1992-01-01

    A conference (Oct.15--19, 1992, Snowbird, Utah; sponsored by SIAM (Society for Industrial and Applied Mathematics) Activity Group on Dynamical Systems) was held that highlighted recent developments in applied dynamical systems. The main lectures and minisymposia covered theory about chaotic motion, applications in high energy physics and heart fibrillations, turbulent motion, Henon map and attractor, integrable problems in classical physics, pattern formation in chemical reactions, etc. The conference fostered an exchange between mathematicians working on theoretical issues of modern dynamical systems and applied scientists. This two-part document contains abstracts, conference program, and an author index.

  3. CHEMICAL STORAGE: MYTHS VERSUS REALITY

    SciTech Connect (OSTI)

    Simmons, F

    2007-03-19

    A large number of resources explaining proper chemical storage are available. These resources include books, databases/tables, and articles that explain various aspects of chemical storage including compatible chemical storage, signage, and regulatory requirements. Another source is the chemical manufacturer or distributor who provides storage information in the form of icons or color coding schemes on container labels. Despite the availability of these resources, chemical accidents stemming from improper storage, according to recent reports (1) (2), make up almost 25% of all chemical accidents. This relatively high percentage of chemical storage accidents suggests that these publications and color coding schemes although helpful, still provide incomplete information that may not completely mitigate storage risks. This manuscript will explore some ways published storage information may be incomplete, examine the associated risks, and suggest methods to help further eliminate chemical storage risks.

  4. Devices for collecting chemical compounds

    DOE Patents [OSTI]

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  5. ARM - Measurement - Inorganic chemical composition

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

    govMeasurementsInorganic chemical composition ARM Data Discovery Browse Data Comments? We ... Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Inorganic chemical ...

  6. Chemical sensing flow probe

    DOE Patents [OSTI]

    Laguna, G.R.; Peter, F.J.; Butler, M.A.

    1999-02-16

    A new chemical probe determines the properties of an analyte using the light absorption of the products of a reagent/analyte reaction. The probe places a small reaction volume in contact with a large analyte volume. Analyte diffuses into the reaction volume. Reagent is selectively supplied to the reaction volume. The light absorption of the reaction in the reaction volume indicates properties of the original analyte. The probe is suitable for repeated use in remote or hostile environments. It does not require physical sampling of the analyte or result in significant regent contamination of the analyte reservoir. 7 figs.

  7. Chemical sensing flow probe

    DOE Patents [OSTI]

    Laguna, George R.; Peter, Frank J.; Butler, Michael A.

    1999-01-01

    A new chemical probe determines the properties of an analyte using the light absorption of the products of a reagent/analyte reaction. The probe places a small reaction volume in contact with a large analyte volume. Analyte diffuses into the reaction volume. Reagent is selectively supplied to the reaction volume. The light absorption of the reaction in the reaction volume indicates properties of the original analyte. The probe is suitable for repeated use in remote or hostile environments. It does not require physical sampling of the analyte or result in significant regent contamination of the analyte reservoir.

  8. Chemical kinetics modeling

    SciTech Connect (OSTI)

    Westbrook, C.K.; Pitz, W.J.

    1993-12-01

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

  9. Chemical sensor system

    DOE Patents [OSTI]

    Darrow, Christopher B.; Satcher, Jr., Joe H.; Lane, Stephen M.; Lee, Abraham P.; Wang, Amy W.

    2002-01-01

    An implantable chemical sensor system for medical applications is described which permits selective recognition of an analyte using an expandable biocompatible sensor, such as a polymer, that undergoes a dimensional change in the presence of the analyte. The expandable polymer is incorporated into an electronic circuit component that changes its properties (e.g., frequency) when the polymer changes dimension. As the circuit changes its characteristics, an external interrogator transmits a signal transdermally to the transducer, and the concentration of the analyte is determined from the measured changes in the circuit. This invention may be used for minimally invasive monitoring of blood glucose levels in diabetic patients.

  10. Reaction dynamics in polyatomic molecular systems

    SciTech Connect (OSTI)

    Miller, W.H.

    1993-12-01

    The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

  11. LLNL Chemical Kinetics Modeling Group

    SciTech Connect (OSTI)

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

    2008-09-24

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

  12. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard

    1984-01-01

    A chemical heat pump system is disclosed for use in heating and cooling structures such as residences or commercial buildings. The system is particularly adapted to utilizing solar energy, but also increases the efficiency of other forms of thermal energy when solar energy is not available. When solar energy is not available for relatively short periods of time, the heat storage capacity of the chemical heat pump is utilized to heat the structure, as during nighttime hours. The design also permits home heating from solar energy when the sun is shining. The entire system may be conveniently rooftop located. In order to faciliate installation on existing structures, the absorber and vaporizer portions of the system may each be designed as flat, thin wall, thin pan vessels which materially increase the surface area available for heat transfer. In addition, this thin, flat configuration of the absorber and its thin walled (and therefore relatively flexible) construction permits substantial expansion and contraction of the absorber material during vaporization and absorption without generating voids which would interfere with heat transfer.

  13. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard

    1981-01-01

    A chemical heat pump system is disclosed for use in heating and cooling structures such as residences or commercial buildings. The system is particularly adapted to utilizing solar energy, but also increases the efficiency of other forms of thermal energy when solar energy is not available. When solar energy is not available for relatively short periods of time, the heat storage capacity of the chemical heat pump is utilized to heat the structure, as during nighttime hours. The design also permits home heating from solar energy when the sun is shining. The entire system may be conveniently rooftop located. In order to facilitate installation on existing structures, the absorber and vaporizer portions of the system may each be designed as flat, thin wall, thin pan vessels which materially increase the surface area available for heat transfer. In addition, this thin, flat configuration of the absorber and its thin walled (and therefore relatively flexible) construction permits substantial expansion and contraction of the absorber material during vaporization and absorption without generating voids which would interfere with heat transfer.

  14. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard

    1984-01-01

    A chemical heat pump system is disclosed for use in heating and cooling structures such as residences or commercial buildings. The system is particularly adapted to utilizing solar energy, but also increases the efficiency of other forms of thermal energy when solar energy is not available. When solar energy is not available for relatively short periods of time, the heat storage capacity of the chemical heat pump is utilized to heat the structure, as during nighttime hours. The design also permits home heating from solar energy when the sun is shining. The entire system may be conveniently rooftop located. In order to facilitate installation on existing structures, the absorber and vaporizer portions of the system may each be designed as flat, thin wall, thin pan vessels which materially increase the surface area available for heat transfer. In addition, this thin, flat configuration of the absorber and its thin walled (and therefore relatively flexible) construction permits substantial expansion and contraction of the absorber material during vaporization and absorption without generating voids which would interfere with heat transfer.

  15. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard

    1984-01-01

    A chemical heat pump system is disclosed for use in heating and cooling structures such as residences or commercial buildings. The system is particularly adapted to utilizing solar energy, but also increases the efficiency of other forms of thermal energy when solar energy is not available. When solar energy is not available for relatively short periods of time, the heat storage capacity of the chemical heat pump is utilized to heat the structure, as during nighttime hours. The design also permits home heating from solar energy when the sun is shining. The entire system may be conveniently rooftop located. In order to facilitate intallation on existing structures, the absorber and vaporizer portions of the system may each be designed as flat, thin wall, thin pan vessels which materially increase the surface area available for heat transfer. In addition, this thin, flat configuration of the absorber and its thin walled (and therefore relatively flexible) construction permits substantial expansion and contraction of the absorber material during vaporization and absorption without generating voids which would interfere with heat transfer.

  16. Storage by Scientific Discipline

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

    Heat & Cool » Water Heating » Storage Water Heaters Storage Water Heaters Consider energy efficiency when selecting a conventional storage water heater to avoid paying more over its lifetime. | Photo courtesy of ©iStockphoto/JulNichols. Consider energy efficiency when selecting a conventional storage water heater to avoid paying more over its lifetime. | Photo courtesy of ©iStockphoto/JulNichols. Conventional storage water heaters remain the most popular type of water heating system

  17. Volatile chemical reagent detector

    DOE Patents [OSTI]

    Chen, Liaohai; McBranch, Duncan; Wang, Rong; Whitten, David

    2004-08-24

    A device for detecting volatile chemical reagents based on fluorescence quenching analysis that is capable of detecting neutral electron acceptor molecules. The device includes a fluorescent material, a contact region, a light source, and an optical detector. The fluorescent material includes at least one polymer-surfactant complex. The polymer-surfactant complex is formed by combining a fluorescent ionic conjugated polymer with an oppositely charged surfactant. The polymer-surfactant complex may be formed in a polar solvent and included in the fluorescent material as a solution. Alternatively, the complex may be included in the fluorescent material as a thin film. The use of a polymer-surfactant complex in the fluorescent material allows the device to detect both neutral and ionic acceptor molecules. The use of a polymer-surfactant complex film allows the device and the fluorescent material to be reusable after exposing the fluorescent material to a vacuum for limited time.

  18. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard

    1980-01-01

    A chemical heat pump system is disclosed for use in heating and cooling structures such as residences or commercial buildings. The system is particularly adapted to utilizing solar energy, but also increases the efficiency of other forms of thermal energy when solar energy is not available. When solar energy is not available for relatively short periods of time, the heat storage capacity of the chemical heat pump is utilized to heat the structure as during nighttime hours. The design also permits home heating from solar energy when the sun is shining. The entire system may be conveniently rooftop located. In order to facilitate installation on existing structures, the absorber and vaporizer portions of the system may each be designed as flat, thin wall, thin pan vessels which materially increase the surface area available for heat transfer. In addition, this thin, flat configuration of the absorber and its thin walled (and therefore relatively flexible) construction permits substantial expansion and contraction of the absorber material during vaporization and absorption without generating voids which would interfere with heat transfer. The heat pump part of the system heats or cools a house or other structure through a combination of evaporation and absorption or, conversely, condensation and desorption, in a pair of containers. A set of automatic controls change the system for operation during winter and summer months and for daytime and nighttime operation to satisfactorily heat and cool a house during an entire year. The absorber chamber is subjected to solar heating during regeneration cycles and is covered by one or more layers of glass or other transparent material. Daytime home air used for heating the home is passed at appropriate flow rates between the absorber container and the first transparent cover layer in heat transfer relationship in a manner that greatly reduce eddies and resultant heat loss from the absorbant surface to ambient atmosphere.

  19. Gas phase chemical detection with an integrated chemical analysis system

    SciTech Connect (OSTI)

    CASALNUOVO,STEPHEN A.; FRYE-MASON,GREGORY CHARLES; KOTTENSTETTE,RICHARD; HELLER,EDWIN J.; MATZKE,CAROLYN M.; LEWIS,PATRICK R.; MANGINELL,RONALD P.; BACA,ALBERT G.; HIETALA,VINCENT M.

    2000-04-12

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample preconcentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described.

  20. Shanghai TL Chemical Company | Open Energy Information

    Open Energy Info (EERE)

    Shanghai TL Chemical Company Place: Shanghai, China Zip: 200240 Product: Focuses on novel chemical structure PEM and PE Resin, PEM FC materials and parts, Key chemical...

  1. Platts 2nd Annual Renewable Chemicals Conference

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Chemicals & Advanced Biofuels 3. Derivates as chemical building blocks - butanol an example 3 Sugar, Fuel & Chemical Agenda - Where are we? 4 Aggregate Biotechnology ...

  2. Corsicana Chemical Company | Open Energy Information

    Open Energy Info (EERE)

    Corsicana Chemical Company Jump to: navigation, search Name: Corsicana Chemical Company Place: Corsicana, Texas Zip: 75110 Product: Chemical company and biodiesel producer in...

  3. Atlanta Chemical Engineering LLC | Open Energy Information

    Open Energy Info (EERE)

    Atlanta Chemical Engineering LLC Jump to: navigation, search Logo: Atlanta Chemical Engineering LLC Name: Atlanta Chemical Engineering LLC Place: Marietta, Georgia Country: United...

  4. Gas Phase Chemical Detection with an Integrated Chemical Analysis System

    SciTech Connect (OSTI)

    Baca, Albert G.; Casalnuovo, Stephen A.; Frye-Mason, Gregory C.; Heller, Edwin J.; Hietala, Susan L.; Hietala, Vincent M.; Kottenstette, Richard J.; Lewis, Patrick R.; Manginell, Ronald P.; Matzke, Carloyn M.; Reno, John L.; Sasaki, Darryl Y.; Schubert, W. Kent

    1999-07-08

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample concentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described. The design and performance of novel micromachined acoustic wave devices, with the potential for improved chemical sensitivity, are also described.

  5. Chemical Resources | Sample Preparation Laboratories

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

    SciTech Connect Chemical Industry Vision 2020. Annual Report 2004 Citation Details In-Document Search Title: Chemical Industry Vision 2020. Annual Report 2004 This publication is an annual report on the activities of the Chemical Industry Vision 2020 Technology Partnership. Authors: None, None Publication Date: 2005-06-01 OSTI Identifier: 1218618 Resource Type: Technical Report Research Org: EERE Publication and Product Library Sponsoring Org: USDOE Office of Energy Efficiency and Renewable

  6. Enhancing chemical reactions

    DOE Patents [OSTI]

    Morrey, John R.

    1978-01-01

    Methods of enhancing selected chemical reactions. The population of a selected high vibrational energy state of a reactant molecule is increased substantially above its population at thermal equilibrium by directing onto the molecule a beam of radiant energy from a laser having a combination of frequency and intensity selected to pump the selected energy state, and the reaction is carried out with the temperature, pressure, and concentrations of reactants maintained at a combination of values selected to optimize the reaction in preference to thermal degradation by transforming the absorbed energy into translational motion. The reaction temperature is selected to optimize the reaction. Typically a laser and a frequency doubler emit radiant energy at frequencies of .nu. and 2.nu. into an optical dye within an optical cavity capable of being tuned to a wanted frequency .delta. or a parametric oscillator comprising a non-centrosymmetric crystal having two indices of refraction, to emit radiant energy at the frequencies of .nu., 2.nu., and .delta. (and, with a parametric oscillator, also at 2.nu.-.delta.). Each unwanted frequency is filtered out, and each desired frequency is focused to the desired radiation flux within a reaction chamber and is reflected repeatedly through the chamber while reactants are fed into the chamber and reaction products are removed therefrom.

  7. Chemical Looping | Open Energy Information

    Open Energy Info (EERE)

    to convert fossil fuels to electricity and provide carbon capture without significant efficiency or cost penalties. Chemical looping combustion is very similar to oxy-fuel...

  8. Chemical Logging | Open Energy Information

    Open Energy Info (EERE)

    concentrations.1 Use in Geothermal Exploration During a chemical logging study at the Raft River Geothermal Test Site, returned drilling fluid samples were collected every...

  9. Chemical substructure analysis in toxicology

    SciTech Connect (OSTI)

    Beauchamp, R.O. Jr.

    1990-12-31

    A preliminary examination of chemical-substructure analysis (CSA) demonstrates the effective use of the Chemical Abstracts compound connectivity file in conjunction with the bibliographic file for relating chemical structures to biological activity. The importance of considering the role of metabolic intermediates under a variety of conditions is illustrated, suggesting structures that should be examined that may exhibit potential activity. This CSA technique, which utilizes existing large files accessible with online personal computers, is recommended for use as another tool in examining chemicals in drugs. 2 refs., 4 figs.

  10. FAQS Reference Guide- Chemical Processing

    Broader source: Energy.gov [DOE]

    This reference guide addresses the competency statements in the February 2010 edition of DOE-STD-1176-2010, Chemical Processing Functional Area Qualification Standard.

  11. FAQS Gap Analysis Qualification Card - Chemical Processing |...

    Office of Environmental Management (EM)

    Chemical Processing FAQS Gap Analysis Qualification Card - Chemical Processing Functional Area Qualification Standard Gap Analysis Qualification Cards outline the differences ...

  12. Multidimensional simulation and chemical kinetics development...

    Office of Environmental Management (EM)

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

  13. Final Report: "Collaborative Project. Understanding the Chemical...

    Office of Scientific and Technical Information (OSTI)

    Report: "Collaborative Project. Understanding the Chemical Processes That Affect Growth ... Title: Final Report: "Collaborative Project. Understanding the Chemical Processes That ...

  14. Dynamic Testing of Gasifier Refractory

    SciTech Connect (OSTI)

    Michael D. Mann; Devdutt Shukla; John P. Hurley

    2003-09-27

    The University of North Dakota (UND) Chemical Engineering Department in conjunction with the UND Energy & Environmental Research Center (EERC) have initiated a program to thoroughly examine the combined chemical (reaction and phase change) and physical (erosion) effects experienced by a variety of refractory materials during both normal operation and thermal cycling under slagging coal gasification conditions. The goal of this work is to devise a mechanism of refractory loss under these conditions. The controlled-atmospheric dynamic corrodent application furnace (CADCAF) is being utilized to simulate refractory/slag interactions under dynamic conditions that more realistically simulate the environment in a slagging coal gasifier than any of the static tests used previously by refractory manufacturers and researchers. Shakedown testing of the CADCAF is in progress. Samples of slag and refractory from the Tampa Electric Polk Power Station have been obtained for testing in the CADCAF. The slag has been dried and sieved to the size needed for our flowing slag corrosion tests. Testing is expected to begin in October.

  15. Dynamic Testing of Gasifier Refractory

    SciTech Connect (OSTI)

    Michael D. Mann; Devdutt Shukla; Xi Hong; John P. Hurley

    2004-09-27

    The University of North Dakota (UND) Chemical Engineering Department in conjunction with the UND Energy & Environmental Research Center (EERC) have initiated a program to thoroughly examine the combined chemical (reaction and phase change) and physical (erosion) effects experienced by a variety of refractory materials during both normal operation and thermal cycling under slagging coal gasification conditions. The goal of this work is to devise a mechanism of refractory loss under these conditions. The controlled-atmospheric dynamic corrodent application furnace (CADCAF) is being utilized to simulate refractory/slag interactions under dynamic conditions that more realistically simulate the environment in a slagging coal gasifier than any of the static tests used previously by refractory manufacturers and researchers. Shakedown testing of the CADCAF has been completed. Samples of slag and refractory from the Tampa Electric Polk Power Station have been obtained for testing in the CADCAF. The slag has been dried and sieved to the size needed for our flowing slag corrosion tests. Screening tests are in currently in progress. Detailed analysis of corrosion rates from the first tests is in progress.

  16. Ultrafast studies of solution dynamics

    SciTech Connect (OSTI)

    Woodruff, W.H.; Dyer, R.B.; Callender, R.H.

    1997-10-01

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). Fast chemical dynamics generally must be initiated photochemically. This limits the applicability of modern laser methods for following the structural changes that occur during chemical and biological reactions to those systems that have an electronic chromophore that has a significant yield of photoproduct when excited. This project has developed a new and entirely general approach to ultrafast initiation of reactions in solution: laser-induced temperature jump (T-jump). The results open entire new fields of study of ultrafast molecular dynamics in solution. The authors have demonstrated the T-jump technique on time scales of 50 ps and longer, and have applied it to study of the fast events in protein folding. They find that a general lifetime of alpha-helix formation is ca 100 ns, and that tertiary folds (in apomyoglobin) form in ca 100 {mu}s.

  17. Boltzmann equation solver adapted to emergent chemical non-equilibrium

    SciTech Connect (OSTI)

    Birrell, Jeremiah; Wilkening, Jon; Rafelski, Johann

    2015-01-15

    We present a novel method to solve the spatially homogeneous and isotropic relativistic Boltzmann equation. We employ a basis set of orthogonal polynomials dynamically adapted to allow for emergence of chemical non-equilibrium. Two time dependent parameters characterize the set of orthogonal polynomials, the effective temperature T(t) and phase space occupation factor ?(t). In this first paper we address (effectively) massless fermions and derive dynamical equations for T(t) and ?(t) such that the zeroth order term of the basis alone captures the particle number density and energy density of each particle distribution. We validate our method and illustrate the reduced computational cost and the ability to easily represent final state chemical non-equilibrium by studying a model problem that is motivated by the physics of the neutrino freeze-out processes in the early Universe, where the essential physical characteristics include reheating from another disappearing particle component (e{sup }-annihilation)

  18. Chemically Induced Surface Evolutions with Level Sets

    Energy Science and Technology Software Center (OSTI)

    2006-11-17

    ChISELS is used for the theoretical modeling of detailed surface chemistry and consomitant surface evolutions occurring during microsystem fabrication processes conducted at low pressures. Examples include physical vapor deposition (PVD), low pressure chemical vapor deposition (PECVD), and plasma etching. Evolving interfaces are represented using the level-set method and the evolution equations time integrated using a Semi-Lagrangian approach. A Ballistic transport model is employed to solve for the fluxes incident on each of the surface elements.more » Surface chemistry leading to etching or deposition is computed by either coupling to Surface Chemkin (a commercially available code) or by providing user defined subroutines. The computational meshes used are quad-trees (2-D) and oct-trees (3-D), constructed such that grid refinement is localized to regions near the surface interfaces. As the interface evolves, the mesh is dynamically reconstructed as needed for the grid to remain fine only around the interface. For parallel computation, a domain decomposition scheme with dynamic load balancing is used to distribute the computational work across processors.« less

  19. Chemical Microsensors For Detection Of Explosives And Chemical Warfare Agents

    DOE Patents [OSTI]

    Yang, Xiaoguang; Swanson, Basil I.

    2001-11-13

    An article of manufacture is provided including a substrate having an oxide surface layer and a layer of a cyclodextrin derivative chemically bonded to said substrate, said layer of a cyclodextrin derivative adapted for the inclusion of selected compounds, e.g., nitro-containing organic compounds, therewith. Such an article can be a chemical microsensor capable of detecting a resultant mass change from inclusion of the nitro-containing organic compound.

  20. Method of forming a chemical composition

    DOE Patents [OSTI]

    Bingham, Dennis N.; Wilding, Bruce M.; Klingler, Kerry M.; Zollinger, William T.; Wendt, Kraig M.

    2007-10-09

    A method of forming a chemical composition such as a chemical hydride is described and which includes the steps of selecting a composition having chemical bonds and which is capable of forming a chemical hydride; providing a source of hydrogen; and exposing the selected composition to an amount of ionizing radiation to encourage the changing of the chemical bonds of the selected composition, and chemically reacting the selected composition with the source of hydrogen to facilitate the formation of a chemical hydride.

  1. Non-planar chemical preconcentrator

    DOE Patents [OSTI]

    Manginell, Ronald P.; Adkins, Douglas R.; Sokolowski, Sara S.; Lewis, Patrick R.

    2006-10-10

    A non-planar chemical preconcentrator comprises a high-surface area, low mass, three-dimensional, flow-through sorption support structure that can be coated or packed with a sorptive material. The sorptive material can collect and concentrate a chemical analyte from a fluid stream and rapidly release it as a very narrow temporal plug for improved separations in a microanalytical system. The non-planar chemical preconcentrator retains most of the thermal and fabrication benefits of a planar preconcentrator, but has improved ruggedness and uptake, while reducing sorptive coating concerns and extending the range of collectible analytes.

  2. Chemical microreactor and method thereof

    DOE Patents [OSTI]

    Morse, Jeffrey D.; Jankowski, Alan

    2011-08-09

    A method for forming a chemical microreactor includes forming at least one capillary microchannel in a substrate having at least one inlet and at least one outlet, integrating at least one heater into the chemical microreactor, interfacing the capillary microchannel with a liquid chemical reservoir at the inlet of the capillary microchannel, and interfacing the capillary microchannel with a porous membrane near the outlet of the capillary microchannel, the porous membrane being positioned beyond the outlet of the capillary microchannel, wherein the porous membrane has at least one catalyst material imbedded therein.

  3. Mass-sensitive chemical preconcentrator

    DOE Patents [OSTI]

    Manginell, Ronald P.; Adkins, Douglas R.; Lewis, Patrick R.

    2007-01-30

    A microfabricated mass-sensitive chemical preconcentrator actively measures the mass of a sample on an acoustic microbalance during the collection process. The microbalance comprises a chemically sensitive interface for collecting the sample thereon and an acoustic-based physical transducer that provides an electrical output that is proportional to the mass of the collected sample. The acoustic microbalance preferably comprises a pivot plate resonator. A resistive heating element can be disposed on the chemically sensitive interface to rapidly heat and release the collected sample for further analysis. Therefore, the mass-sensitive chemical preconcentrator can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

  4. ITP Chemicals: Energy and Environmental Profile of the U.S. Chemical...

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

    Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries Bandwidth Study U.S. Chemical Manufacturing ITP Chemicals: ...

  5. Chemical Science | Department of Energy

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

    Chemical Science Chemical Science Plant fatty acids are used in a vast range of products, from polymers to plastics and soaps to industrial feed stocks -- making up an estimated $150 billion market annually. A new discovery of inserting double bonds in the fatty acids could show the way to the designer production of plant fatty acids, and, in turn, to new industrial applications and new products. <a href

  6. MECS 2006 - Chemicals | Department of Energy

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

    Chemicals MECS 2006 - Chemicals Manufacturing Energy and Carbon Footprint for Chemicals Sector (NAICS 325) with Total Energy Input, October 2012 (MECS 2006) All available footprints and supporting documents Manufacturing Energy and Carbon Footprint PDF icon Chemicals More Documents & Publications Chemicals (2010 MECS) MECS 2006 - Alumina and Aluminum MECS 2006 - Cement

  7. Coatings with controlled porosity and chemical properties

    DOE Patents [OSTI]

    Frye, G.C.; Brinker, C.J.; Doughty, D.H.; Bein, T.; Moller, K.

    1996-12-31

    Coatings and sensors are disclosed having both steric and chemical selectivity. Controlled porosity provides the steric selectivity, whereas chemically tailored film properties, using controlled composition or modification by coupling agents, chemical species replacement, or chemical species within pores, provide the chemical selectivity. Single or multiple layers may be provided. 7 figs.

  8. Coatings with controlled porosity and chemical properties

    DOE Patents [OSTI]

    Frye, G.C.; Brinker, C.J.; Doughty, D.H.; Bein, T.; Moller, K.

    1993-07-06

    Coatings and sensors are described having both steric and chemical selectivity. Controlled porosity provides the steric selectivity, whereas chemically tailored film properties, using controlled composition or modification by coupling agents, chemical species replacement, or chemical species within pores, provide the chemical selectivity. Single or multiple layers may be provided.

  9. Coatings with controlled porosity and chemical properties

    DOE Patents [OSTI]

    Frye, Gregory C.; Brinker, C. Jeffrey; Doughty, Daniel H.; Bein, Thomas; Moller, Karin

    1993-01-01

    Coatings and sensors having both steric and chemical selectivity. Controlled porosity provides the steric selectivity, whereas chemically tailored film properties, using controlled composition or modification by coupling agents, chemical species replacement, or chemical species within pores, provide the chemical selectivity. Single or multiple layers may be provided.

  10. Coatings with controlled porosity and chemical properties

    DOE Patents [OSTI]

    Frye, Gregory C.; Brinker, C. Jeffrey; Doughty, Daniel H.; Bein, Thomas; Moller, Karin

    1996-01-01

    Coatings and sensors having both steric and chemical selectivity. Controlled porosity provides the steric selectivity, whereas chemically tailored film properties, using controlled composition or modification by coupling agents, chemical species replacement, or chemical species within pores, provide the chemical selectivity. Single or multiple layers may be provided.

  11. Molecular beam studies of reaction dynamics

    SciTech Connect (OSTI)

    Lee, Y.T.

    1993-12-01

    The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

  12. Ultrafast Core-Hole Induced Dynamics in Water

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

    Ultrafast Core-Hole Induced Dynamics in Water Print A thorough understanding of the chemical processes that are initiated when radiation interacts with aqueous systems is essential for many diverse fields, from condensed matter physics to medicine to environmental science. An incoming photon with enough energy to produce a core hole in a water molecule sets off motions that can affect bonding configurations, which in turn affect subsequent chemical-reaction pathways. However, it is a fundamental

  13. Ultrafast Core-Hole Induced Dynamics in Water

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

    Ultrafast Core-Hole Induced Dynamics in Water Print A thorough understanding of the chemical processes that are initiated when radiation interacts with aqueous systems is essential for many diverse fields, from condensed matter physics to medicine to environmental science. An incoming photon with enough energy to produce a core hole in a water molecule sets off motions that can affect bonding configurations, which in turn affect subsequent chemical-reaction pathways. However, it is a fundamental

  14. Ultrafast Core-Hole Induced Dynamics in Water

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

    Ultrafast Core-Hole Induced Dynamics in Water Print A thorough understanding of the chemical processes that are initiated when radiation interacts with aqueous systems is essential for many diverse fields, from condensed matter physics to medicine to environmental science. An incoming photon with enough energy to produce a core hole in a water molecule sets off motions that can affect bonding configurations, which in turn affect subsequent chemical-reaction pathways. However, it is a fundamental

  15. Ultrafast Core-Hole Induced Dynamics in Water

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

    Ultrafast Core-Hole Induced Dynamics in Water Print A thorough understanding of the chemical processes that are initiated when radiation interacts with aqueous systems is essential for many diverse fields, from condensed matter physics to medicine to environmental science. An incoming photon with enough energy to produce a core hole in a water molecule sets off motions that can affect bonding configurations, which in turn affect subsequent chemical-reaction pathways. However, it is a fundamental

  16. Ultrafast Core-Hole Induced Dynamics in Water

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

    Ultrafast Core-Hole Induced Dynamics in Water Print A thorough understanding of the chemical processes that are initiated when radiation interacts with aqueous systems is essential for many diverse fields, from condensed matter physics to medicine to environmental science. An incoming photon with enough energy to produce a core hole in a water molecule sets off motions that can affect bonding configurations, which in turn affect subsequent chemical-reaction pathways. However, it is a fundamental

  17. Shared and Dynamic Libraries

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

    Shared and Dynamic Libraries Shared and Dynamic Libraries The Edison system can support applications that use dynamic shared libraries (DSL) on the compute nodes. Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include those that support software packages found in "typical" Linux distributions, e.g. Python and Perl. To build an application that will

  18. Shared and Dynamic Libraries

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

    Shared and Dynamic Libraries Shared and Dynamic Libraries The Hopper system can support applications that use dynamic shared libraries (DSL) on the compute nodes. Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include those that support software packages found in "typical" Linux distributions, e.g. Python and Perl. To build an application that will

  19. Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependence

    SciTech Connect (OSTI)

    Davtyan, Aram; Dama, James F.; Voth, Gregory A.; Andersen, Hans C.

    2015-04-21

    Coarse-grained (CG) models of molecular systems, with fewer mechanical degrees of freedom than an all-atom model, are used extensively in chemical physics. It is generally accepted that a coarse-grained model that accurately describes equilibrium structural properties (as a result of having a well constructed CG potential energy function) does not necessarily exhibit appropriate dynamical behavior when simulated using conservative Hamiltonian dynamics for the CG degrees of freedom on the CG potential energy surface. Attempts to develop accurate CG dynamic models usually focus on replacing Hamiltonian motion by stochastic but Markovian dynamics on that surface, such as Langevin or Brownian dynamics. However, depending on the nature of the system and the extent of the coarse-graining, a Markovian dynamics for the CG degrees of freedom may not be appropriate. In this paper, we consider the problem of constructing dynamic CG models within the context of the Multi-Scale Coarse-graining (MS-CG) method of Voth and coworkers. We propose a method of converting a MS-CG model into a dynamic CG model by adding degrees of freedom to it in the form of a small number of fictitious particles that interact with the CG degrees of freedom in simple ways and that are subject to Langevin forces. The dynamic models are members of a class of nonlinear systems interacting with special heat baths that were studied by Zwanzig [J. Stat. Phys. 9, 215 (1973)]. The properties of the fictitious particles can be inferred from analysis of the dynamics of all-atom simulations of the system of interest. This is analogous to the fact that the MS-CG method generates the CG potential from analysis of equilibrium structures observed in all-atom simulation data. The dynamic models generate a non-Markovian dynamics for the CG degrees of freedom, but they can be easily simulated using standard molecular dynamics programs. We present tests of this method on a series of simple examples that demonstrate that the method provides realistic dynamical CG models that have non-Markovian or close to Markovian behavior that is consistent with the actual dynamical behavior of the all-atom system used to construct the CG model. Both the construction and the simulation of such a dynamic CG model have computational requirements that are similar to those of the corresponding MS-CG model and are good candidates for CG modeling of very large systems.

  20. Intramolecular and nonlinear dynamics

    SciTech Connect (OSTI)

    Davis, M.J.

    1993-12-01

    Research in this program focuses on three interconnected areas. The first involves the study of intramolecular dynamics, particularly of highly excited systems. The second area involves the use of nonlinear dynamics as a tool for the study of molecular dynamics and complex kinetics. The third area is the study of the classical/quantum correspondence for highly excited systems, particularly systems exhibiting classical chaos.

  1. Ultrafast Core-Hole Induced Dynamics in Water

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

    Ultrafast Core-Hole Induced Dynamics in Water Ultrafast Core-Hole Induced Dynamics in Water Print Wednesday, 22 February 2006 00:00 A thorough understanding of the chemical processes that are initiated when radiation interacts with aqueous systems is essential for many diverse fields, from condensed matter physics to medicine to environmental science. An incoming photon with enough energy to produce a core hole in a water molecule sets off motions that can affect bonding configurations, which in

  2. Nanoscale Chemical Imaging of a Working Catalyst

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

    catalysts for maximum selectivity and efficiency in a wide range of chemical processes. ... The measurements generated chemical contour maps for the species present. Quantitative ...

  3. Dainippon Ink Chemicals Inc | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search Name: Dainippon Ink & Chemicals Inc Place: Tokyo, Tokyo, Japan Zip: 103-8233 Product: Japanese diversified chemical company that primarily...

  4. Mitsui Chemicals Inc | Open Energy Information

    Open Energy Info (EERE)

    Inc Jump to: navigation, search Name: Mitsui Chemicals Inc Place: Tokyo, Tokyo, Japan Zip: 105-7117 Sector: Solar Product: Chemicals maker including plastics, industrial...

  5. Chemical incident economic impact analysis methodology. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Chemical incident economic impact analysis methodology. Citation Details In-Document Search Title: Chemical incident economic impact analysis methodology. You are accessing a ...

  6. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles ...

  7. LANSCE | Lujan Center | Chemical & Sample Prep

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

    Chemical & Sample Preparation For general questions, please contact the Lujan Center Chemical and Sample Preparation Laboratory responsible: Charles Kelsey | ckelsey@lanl.gov | ...

  8. Coalescence and Chemical Equilibrium in Multifragmentation at...

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

    Chemical Society Meeting, Boston (August 2002). Production and Deexcitation of Isotopically Diverse Nuclear Systems near the Fermi Energy, S. J. Yennello, American Chemical ...

  9. Sandia Researchers Develop Promising Chemical Technology for...

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

    Sandia Researchers Develop Promising Chemical Technology for Energy Storage Sandia Researchers Develop Promising Chemical Technology for Energy Storage March 7, 2012 - 9:50am ...

  10. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Nanoscale Chemical Imaging of a Working Catalyst Print Wednesday, 28 January 2009 00:00 The heterogeneous catalysts used in most ...

  11. Chemical incident economic impact analysis methodology. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Chemical incident economic impact analysis methodology. Citation Details In-Document Search Title: Chemical incident economic impact analysis methodology. ...

  12. Coalescence and Chemical Equilibrium in Multifragmentation at...

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

    ... of Black Chemists and Chemical Engineers, NOBCChE, Atlanta, Georgia (March 2010). ... Talk, American Chemical Society National Meeting, San Francisco, California (March 2010). ...

  13. Coalescence and Chemical Equilibrium in Multifragmentation at...

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

    ... Chemical Society National Meeting, New Orleans, Louisiana (April 2008). Nuclear Collisions and the Nuclear Equation of State, J.B. Natowitz, Invited Talk, American Chemical ...

  14. 2.3 Understanding Chemical Reactions

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

    612011 2.3 Understanding Chemical Reactions The molecular features that influence the rate of chemical reactions were poorly understood until the mid- 1960s, when Dudley ...

  15. Calculation of chemical equilibrium between aqueous solution...

    Office of Scientific and Technical Information (OSTI)

    Calculation of chemical equilibrium between aqueous solution and minerals: the EQ36 ... Citation Details In-Document Search Title: Calculation of chemical equilibrium between ...

  16. CONTENTS Chemical Control of Fluid Flow

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

    Chemical Control of Fluid Flow and Contaminant Release in Shale Microfractures ... Oil & Natural Gas Program Newsletter Fall 2015 1 Chemical Control of Fluid Flow and ...

  17. Manager, International Chemical Threat Reduction Department,...

    National Nuclear Security Administration (NNSA)

    Manager, International Chemical Threat Reduction Department, Sandia National Laboratories Nancy B. Jackson Nancy Jackson Nancy B. Jackson, manager of the International Chemical ...

  18. Nanomechanical Sensor Detects and Identifies Chemical Analytes...

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

    Nanomechanical Sensor Detects and Identifies Chemical Analytes Oak Ridge National ... It can also quickly identify a potentially harmful chemical. The invention's sensitivity ...

  19. Chemical Looping Combustion | netl.doe.gov

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

    Chemical Looping Combustion chemical-looping-combustion.jpg An economical option for using our abundant, domestic coal resources while eliminating CO2 emissions may sound like ...

  20. Coalescence and Chemical Equilibrium in Multifragmentation at...

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

    ... C.M. Folden III , 241 st American Chemical Society National Meeting, Anaheim, ... 241 st American Chemical Society National Meeting, Anaheim, California (March 2011). ...

  1. FAQS Qualification Card - Chemical Processing | Department of...

    Energy Savers [EERE]

    Chemical Processing FAQS Qualification Card - Chemical Processing A key element for the Department's Technical Qualification Programs is a set of common Functional Area ...

  2. Solutia: Massachusetts Chemical Manufacturer Uses SECURE Methodology...

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

    conducted at the Solutia Inc. chemical production facility in Springfield, Massachusetts. ... PDF icon Solutia: Massachusetts Chemical Manufacturer Uses SECURE Methodology to Identify ...

  3. Predicting Pressure-Dependent Combustion Chemical Reactions

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

    Predicting Pressure-Dependent Combustion Chemical Reactions - Sandia Energy Energy Search ... ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ...

  4. Chemical Analysis of Nanodomains | The Ames Laboratory

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

    We seek to understand the basic principles that underlie energy-relevant chemical ... Analysis activities of the Division of Chemical Science, Geoscience and Biosciences ...

  5. Keeping Tabs on the World's Dangerous Chemicals

    Broader source: Energy.gov [DOE]

    Sandia chemical engineer Nancy Jackson has worked in laboratories around the world to help ensure that chemicals are used safely and kept secure.

  6. Sandians Published in American Chemical Society's Environmental...

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

    Published in American Chemical Society's Environmental Science & Technology - Sandia ... ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ...

  7. Chemical Management, Volume 2 of 3

    Office of Environmental Management (EM)

    TS NOT MEASUREMENT SENSITIVE DOE-HDBK-11392-2002 July 2002 DOE HANDBOOK CHEMICAL ... and contractor managers in assessing chemical hazard management and is approved for ...

  8. Mr. Robert Muller, Manager General Chemical Corporation

    Office of Legacy Management (LM)

    S 1997 Mr. Robert Muller, Manager General Chemical Corporation 6300 Philadelphia Pike ... Mr. D. T. Murphy of Allied Chemical Corporation, Delaware Valley Works in Marcus Hook, was ...

  9. Chemical Characterization of Individual Particles and Residuals...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Chemical Characterization of Individual Particles and Residuals of Cloud ... Citation Details In-Document Search Title: Chemical Characterization of Individual ...

  10. Chemical Kinetic Research on HCCI & Diesel Fuels

    Energy Savers [EERE]

    Laboratory Chemical Kinetic Research on HCCI & Diesel Fuels William J. Pitz (PI), Charles ... and emission formation processes * Chemical kinetic models are critical for improved ...

  11. Plutonium-238 Production Chemical Processing Evaluations (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Plutonium-238 Production Chemical Processing Evaluations Citation Details In-Document Search Title: Plutonium-238 Production Chemical Processing Evaluations Authors: ...

  12. Hanwha Chemical Corp | Open Energy Information

    Open Energy Info (EERE)

    Chemical Corp Jump to: navigation, search Name: Hanwha Chemical Corp Place: Seoul, Seoul, Korea (Republic) Zip: 100-797 Product: Korea-based manufacturer of synthetic resins and...

  13. Silicon Chemical Corp SCC | Open Energy Information

    Open Energy Info (EERE)

    Corp SCC Jump to: navigation, search Name: Silicon Chemical Corp (SCC) Place: Vancouver, Washington State Zip: 98687 Product: US manufacturer of polysilicon and silicon chemical...

  14. Heilongjiang Fengrui Chemical Group | Open Energy Information

    Open Energy Info (EERE)

    Fengrui Chemical Group Jump to: navigation, search Name: Heilongjiang Fengrui Chemical Group Place: Shuangyashan, Heilongjiang Province, China Product: A Chinese bioethanol...

  15. Dow Chemical Co | Open Energy Information

    Open Energy Info (EERE)

    search Name: Dow Chemical Co Place: Midland, Michigan Zip: 48674 Sector: Hydro, Hydrogen Product: Michigan-based global chemical, plastic and agricultural products maker,...

  16. Uncoated microcantilevers as chemical sensors

    DOE Patents [OSTI]

    Thundat, Thomas G.

    2001-01-01

    A method and device are provided for chemical sensing using cantilevers that do not use chemically deposited, chemically specific layers. This novel device utilizes the adsorption-induced variation in the surfaces states on a cantilever. The methodology involves exciting charge carriers into or out of the surface states with photons having increasing discrete levels of energy. The excitation energy is provided as discrete levels of photon energy by scanning the wavelength of an exciting source that is illuminating the cantilever surface. When the charge carriers are excited into or out of the surface states, the cantilever bending changes due to changes in surface stress. The amount of cantilever bending with respect to an identical cantilever as a function of excitation energy is used to determine the energy levels associated with adsorbates.

  17. The chemical industry, by country

    SciTech Connect (OSTI)

    Not Available

    1995-03-01

    Beijing will be the site for the third ACHEMASIA, international petrochemical and chemical exhibition and conference, May 15--20, 1995. In preparation for this conference, Hydrocarbon Processing contacted executives of petrochemical/chemical industries and trade associations, seeking views on the state of the industry. The Asia-Pacific region is the center of new construction and expanded capacity and also a mixture of mature, developing and emerging petrochemical industries. Established countries must mold and grow with emerging economies as the newcomers access natural resources and develop their own petrochemical infrastructures. The following nation reports focus on product supply/demand trends, economic forecasts, new construction, etc. Space limitations prohibit publishing commentaries from all countries that have petrochemical/chemical capacity. Reports are published from the following countries: Australia, China, Japan, Korea, Malaysia, Philippines, Thailand, and Vietnam.

  18. Chemical Hygiene and Safety Plan

    SciTech Connect (OSTI)

    Berkner, K.

    1992-08-01

    The objective of this Chemical Hygiene and Safety Plan (CHSP) is to provide specific guidance to all LBL employees and contractors who use hazardous chemicals. This Plan, when implemented, fulfills the requirements of both the Federal OSHA Laboratory Standard (29 CFR 1910.1450) for laboratory workers, and the Federal OSHA Hazard Communication Standard (29 CFR 1910.1200) for non-laboratory operations (e.g., shops). It sets forth safety procedures and describes how LBL employees are informed about the potential chemical hazards in their work areas so they can avoid harmful exposures and safeguard their health. Generally, communication of this Plan will occur through training and the Plan will serve as a the framework and reference guide for that training.

  19. Drama in Dynamics: Boom, Splash, and Speed

    SciTech Connect (OSTI)

    Heather Marie Netzloff

    2004-12-19

    The full nature of chemistry and physics cannot be captured by static calculations alone. Dynamics calculations allow the simulation of time-dependent phenomena. This facilitates both comparisons with experimental data and the prediction and interpretation of details not easily obtainable from experiments. Simulations thus provide a direct link between theory and experiment, between microscopic details of a system and macroscopic observed properties. Many types of dynamics calculations exist. The most important distinction between the methods and the decision of which method to use can be described in terms of the size and type of molecule/reaction under consideration and the type and level of accuracy required in the final properties of interest. These considerations must be balanced with available computational codes and resources as simulations to mimic ''real-life'' may require many time steps. As indicated in the title, the theme of this thesis is dynamics. The goal is to utilize the best type of dynamics for the system under study while trying to perform dynamics in the most accurate way possible. As a quantum chemist, this involves some level of first principles calculations by default. Very accurate calculations of small molecules and molecular systems are now possible with relatively high-level ab initio quantum chemistry. For example, a quantum chemical potential energy surface (PES) can be developed ''on-the-fly'' with dynamic reaction path (DRP) methods. In this way a classical trajectory is developed without prior knowledge of the PES. In order to treat solvation processes and the condensed phase, large numbers of molecules are required, especially in predicting bulk behavior. The Effective Fragment Potential (EFP) method for solvation decreases the cost of a fully quantum mechanical calculation by dividing a chemical system into an ab initio region that contains the solute and an ''effective fragment'' region that contains the remaining solvent molecules. But, despite the reduced cost relative to fully QM calculations, the EFP method, due to its complex, QM-based potential, does require more computation time than simple interaction potentials, especially when the method is used for large scale molecular dynamics simulations. Thus, the EFP method was parallelized to facilitate these calculations within the quantum chemistry program GAMESS. The EFP method provides relative energies and structures that are in excellent agreement with the analogous fully quantum results for small water clusters. The ability of the method to predict bulk water properties with a comparable accuracy is assessed by performing EFP molecular dynamics simulations. Molecular dynamics simulations can provide properties that are directly comparable with experimental results, for example radial distribution functions. The molecular PES is a fundamental starting point for chemical reaction dynamics. Many methods can be used to obtain a PES; for example, assuming a global functional form for the PES or, as mentioned above, performing ''on-the-fly'' dynamics with Al or semi-empirical calculations at every molecular configuration. But as the size of the system grows, using electronic structure theory to build a PES and, therefore, study reaction dynamics becomes virtually impossible. The program Grow builds a PES as an interpolation of Al data; the goal is to attempt to produce an accurate PES with the smallest number of Al calculations. The Grow-GAMESS interface was developed to obtain the Al data from GAMESS. Classical or quantum dynamics can be performed on the resulting surface. The interface includes the novel capability to build multi-reference PESs; these types of calculations are applicable to problems ranging from atmospheric chemistry to photochemical reaction mechanisms in organic and inorganic chemistry to fundamental biological phenomena such as photosynthesis.

  20. Method for producing chemical energy

    DOE Patents [OSTI]

    Jorgensen, Betty S.; Danen, Wayne C.

    2004-09-21

    Fluoroalkylsilane-coated metal particles having a central metal core, a buffer layer surrounding the core, and a fluoroalkylsilane layer attached to the buffer layer are prepared by combining a chemically reactive fluoroalkylsilane compound with an oxide coated metal particle having a hydroxylated surface. The resulting fluoroalkylsilane layer that coats the particles provides them with excellent resistance to aging. The particles can be blended with oxidant particles to form energetic powder that releases chemical energy when the buffer layer is physically disrupted so that the reductant metal core can react with the oxidant.

  1. THE RADIAL METALLICITY GRADIENTS IN THE MILKY WAY THICK DISK AS FOSSIL SIGNATURES OF A PRIMORDIAL CHEMICAL DISTRIBUTION

    SciTech Connect (OSTI)

    Curir, A.; Serra, A. L.; Spagna, A.; Lattanzi, M. G.; Re Fiorentin, P.; Diaferio, A.

    2014-04-01

    In this Letter we examine the evolution of the radial metallicity gradient induced by secular processes, in the disk of an N-body Milky Way-like galaxy. We assign a [Fe/H] value to each particle of the simulation according to an initial, cosmologically motivated, radial chemical distribution and let the disk dynamically evolve for ∼6 Gyr. This direct approach allows us to take into account only the effects of dynamical evolution and to gauge how and to what extent they affect the initial chemical conditions. The initial [Fe/H] distribution increases with R in the inner disk up to R ≈ 10 kpc and decreases for larger R. We find that the initial chemical profile does not undergo major transformations after ∼6 Gyr of dynamical evolution. The final radial chemical gradients predicted by the model in the solar neighborhood are positive and of the same order as those recently observed in the Milky Way thick disk. We conclude that (1) the spatial chemical imprint at the time of disk formation is not washed out by secular dynamical processes and (2) the observed radial gradient may be the dynamical relic of a thick disk originated from a stellar population showing a positive chemical radial gradient in the inner regions.

  2. Use of comparative genomics approaches to characterize interspecies differences in response to environmental chemicals: Challenges, opportunities, and research needs

    SciTech Connect (OSTI)

    Burgess-Herbert, Sarah L.; Euling, Susan Y.

    2013-09-15

    A critical challenge for environmental chemical risk assessment is the characterization and reduction of uncertainties introduced when extrapolating inferences from one species to another. The purpose of this article is to explore the challenges, opportunities, and research needs surrounding the issue of how genomics data and computational and systems level approaches can be applied to inform differences in response to environmental chemical exposure across species. We propose that the data, tools, and evolutionary framework of comparative genomics be adapted to inform interspecies differences in chemical mechanisms of action. We compare and contrast existing approaches, from disciplines as varied as evolutionary biology, systems biology, mathematics, and computer science, that can be used, modified, and combined in new ways to discover and characterize interspecies differences in chemical mechanism of action which, in turn, can be explored for application to risk assessment. We consider how genetic, protein, pathway, and network information can be interrogated from an evolutionary biology perspective to effectively characterize variations in biological processes of toxicological relevance among organisms. We conclude that comparative genomics approaches show promise for characterizing interspecies differences in mechanisms of action, and further, for improving our understanding of the uncertainties inherent in extrapolating inferences across species in both ecological and human health risk assessment. To achieve long-term relevance and consistent use in environmental chemical risk assessment, improved bioinformatics tools, computational methods robust to data gaps, and quantitative approaches for conducting extrapolations across species are critically needed. Specific areas ripe for research to address these needs are recommended.

  3. Extended range chemical sensing apparatus

    DOE Patents [OSTI]

    Hughes, Robert C. (Albuquerque, NM); Schubert, W. Kent (Albuquerque, NM)

    1994-01-01

    An apparatus for sensing chemicals over extended range of concentrations. In particular, first and second sensors each having separate, but overlapping ranges for sensing concentrations of hydrogen are provided. Preferably, the first sensor is a MOS solid state device wherein the metal electrode or gate is a nickel alloy. The second sensor is a chemiresistor comprising a nickel alloy.

  4. Extended range chemical sensing apparatus

    DOE Patents [OSTI]

    Hughes, R.C.; Schubert, W.K.

    1994-01-18

    An apparatus is described for sensing chemicals over extended range of concentrations. In particular, first and second sensors each having separate, but overlapping ranges for sensing concentrations of hydrogen are provided. Preferably, the first sensor is a MOS solid state device wherein the metal electrode or gate is a nickel alloy. The second sensor is a chemiresistor comprising a nickel alloy. 6 figures.

  5. High energy chemical laser system

    DOE Patents [OSTI]

    Gregg, D.W.; Pearson, R.K.

    1975-12-23

    A high energy chemical laser system is described wherein explosive gaseous mixtures of a reducing agent providing hydrogen isotopes and interhalogen compounds are uniformly ignited by means of an electrical discharge, flash- photolysis or an electron beam. The resulting chemical explosion pumps a lasing chemical species, hydrogen fluoride or deuterium fluoride which is formed in the chemical reaction. The generated lasing pulse has light frequencies in the 3- micron range. Suitable interhalogen compounds include bromine trifluoride (BrF$sub 3$), bromine pentafluoride (BrF$sub 5$), chlorine monofluoride (ClF), chlorine trifluoride (ClF$sub 3$), chlorine pentafluoride (ClF$sub 5$), iodine pentafluoride (IF$sub 5$), and iodine heptafluoride (IF$sub 7$); and suitable reducing agents include hydrogen (H$sub 2$), hydrocarbons such as methane (CH$sub 4$), deuterium (D$sub 2$), and diborane (B$sub 2$H$sub 6$), as well as combinations of the gaseous compound and/or molecular mixtures of the reducing agent.

  6. Reaction Dynamics and Spectroscopy of Hydrocarbons in Plasma

    SciTech Connect (OSTI)

    Braams, Bastiaan J.

    2014-03-24

    This grant supported research in theoretical and computational Chemical Physics that resulted in numerous publications on fitting ab initio potential energy surfaces and dipole moment surfaces of polyatomic molecules and cations. This work made use of novel fitting methods that ensures that these surfaces are invariant with respect to all permutations of like atoms. The surfaces were used in various dynamics calculations, ranging from quantum vibrational dynamics to(quasi)classical trajectory calculations of reaction dynamics. A number of these studies were done in collaboration with experimental groups where the theoretical analyses turned out to be essential to give a proper understanding of the experimental results.

  7. Method of producing a chemical hydride

    DOE Patents [OSTI]

    Klingler, Kerry M.; Zollinger, William T.; Wilding, Bruce M.; Bingham, Dennis N.; Wendt, Kraig M.

    2007-11-13

    A method of producing a chemical hydride is described and which includes selecting a composition having chemical bonds and which is capable of forming a chemical hydride; providing a source of a hydrocarbon; and reacting the composition with the source of the hydrocarbon to generate a chemical hydride.

  8. Hydrogen bond dynamics in bulk alcohols

    SciTech Connect (OSTI)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamicsquantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquidalcoholshas attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  9. POISON SPIDER FIELD CHEMICAL FLOOD PROJECT, WYOMING

    SciTech Connect (OSTI)

    Douglas Arnell; Malcolm Pitts; Jie Qi

    2004-11-01

    A reservoir engineering and geologic study concluded that approximate 7,852,000 bbls of target oil exits in Poison Spider. Field pore volume, OOIP, and initial oil saturation are defined. Potential injection water has a total dissolved solids content of 1,275 mg/L with no measurable divalent cations. If the Lakota water consistently has no measurable cations, the injection water does not require softening to dissolve alkali. Produced water total dissolved solids were 2,835 mg/L and less than 20 mg/L hardness as the sum of divalent cations. Produced water requires softening to dissolve chemicals. Softened produced water was used to dissolve chemicals in these evaluations. Crude oil API gravity varies across the field from 19.7 to 22.2 degrees with a dead oil viscosity of 95 to 280 cp at 75 F. Interfacial tension reductions of up to 21,025 fold (0.001 dyne/cm) were developed with fifteen alkaline-surfactant combinations at some alkali concentration. An additional three alkaline-surfactant combinations reduced the interfacial tension greater than 5,000 fold. NaOH generally produced the lowest interfacial tension values. Interfacial tension values of less than 0.021 dyne/cm were maintained when the solutions were diluted with produced water to about 60%. Na{sub 2}CO{sub 3} when mixed with surfactants did not reduce interfacial tension values to levels at which incremental oil can be expected. NaOH without surfactant interfacial tension reduction is at a level where some additional oil might be recovered. Most of the alkaline-surfactant-polymer solutions producing ultra low interfacial tension gave type II- phase behavior. Only two solutions produced type III phase behavior. Produced water dilution resulted in maintenance of phase type for a number of solutions at produced water dilutions exceeding 80% dilution. The average loss of phase type occurred at 80% dilution. Linear corefloods were performed to determine relative permeability end points, chemical-rock compatibility, polymer injectivity, dynamic chemical retention by rock, and recommended injected polymer concentration. Average initial oil saturation was 0.796 Vp. Produced water injection recovered 53% OOIP leaving an average residual oil saturation of 0.375 Vp. Poison Spider rock was strongly water-wet with a mobility ratio for produced water displacing the 280 cp crude oil of 8.6. Core was not sensitive to either alkali or surfactant injection. Injectivity increased 60 to 80% with alkali plus surfactant injection. Low and medium molecular weight polyacrylamide polymers (Flopaam 3330S and Flopaam 3430S) dissolved in either an alkaline-surfactant solution or softened produced water injected and flowed through Poison Spider rock. Recommended injected polyacrylamide concentration is 2,100 mg/L for both polymers for a unit mobility ratio. Radial corefloods were performed to evaluate oil recovery efficiency of different chemical solutions. Waterflood oil recovery averaged 46.4 OOIP and alkaline-surfactant-polymer flood oil recovery averaged an additional 18.1% OIP for a total of 64.6% OOIP. Oil cut change due to injection of a 1.5 wt% Na{sub 2}CO{sub 3} plus 0.05 wt% Petrostep B-100 plus 0.05 wt% Stepantan AS1216 plus 2100 mg/L Flopaam 3430S was from 2% to a peak of 23.5%. Additional study might determine the impact on oil recovery of a lower polymer concentration. An alkaline-surfactant-polymer flood field implementation outline report was written.

  10. ITP Chemicals: Energy and Environmental Profile of the U.S. Chemical

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

    Industry, May 2000 | Department of Energy Energy and Environmental Profile of the U.S. Chemical Industry, May 2000 ITP Chemicals: Energy and Environmental Profile of the U.S. Chemical Industry, May 2000 PDF icon profile_full.pdf More Documents & Publications Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries Bandwidth Study U.S. Chemical Manufacturing ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful

  11. Computational Fluid Dynamics

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

    scour-tracc-cfd TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Computational Fluid Dynamics Overview of CFD: Video Clip with Audio Computational fluid dynamics (CFD) research uses mathematical and computational models of flowing fluids to describe and predict fluid response in problems of interest, such as the flow of air around a moving vehicle or the flow of water and sediment in a river. Coupled with appropriate and prototypical

  12. Dynamical principles in neuroscience

    SciTech Connect (OSTI)

    Rabinovich, Mikhail I.; Varona, Pablo; Selverston, Allen I.; Abarbanel, Henry D. I.

    2006-10-15

    Dynamical modeling of neural systems and brain functions has a history of success over the last half century. This includes, for example, the explanation and prediction of some features of neural rhythmic behaviors. Many interesting dynamical models of learning and memory based on physiological experiments have been suggested over the last two decades. Dynamical models even of consciousness now exist. Usually these models and results are based on traditional approaches and paradigms of nonlinear dynamics including dynamical chaos. Neural systems are, however, an unusual subject for nonlinear dynamics for several reasons: (i) Even the simplest neural network, with only a few neurons and synaptic connections, has an enormous number of variables and control parameters. These make neural systems adaptive and flexible, and are critical to their biological function. (ii) In contrast to traditional physical systems described by well-known basic principles, first principles governing the dynamics of neural systems are unknown. (iii) Many different neural systems exhibit similar dynamics despite having different architectures and different levels of complexity. (iv) The network architecture and connection strengths are usually not known in detail and therefore the dynamical analysis must, in some sense, be probabilistic. (v) Since nervous systems are able to organize behavior based on sensory inputs, the dynamical modeling of these systems has to explain the transformation of temporal information into combinatorial or combinatorial-temporal codes, and vice versa, for memory and recognition. In this review these problems are discussed in the context of addressing the stimulating questions: What can neuroscience learn from nonlinear dynamics, and what can nonlinear dynamics learn from neuroscience?.

  13. Protein Dynamics and Biocatalysis

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

    Protein Dynamics and Biocatalysis Protein Dynamics and Biocatalysis 1998 Annual Report Grand Challenge Projects biocatalysis.gif A model of the Michaelis complex for the TEM-1/penicillin system from molecular dynamics simulations. Investigators: P. A. Bash, Northwestern University Medical School and M. Karplus, Harvard University Research Objectives A guiding principle of molecular biology is that the structure of a biomolecule defines its function. This principle is especially true in the case

  14. Chemicals (2010 MECS) | Department of Energy

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

    Chemicals (2010 MECS) Chemicals (2010 MECS) Manufacturing Energy and Carbon Footprint for Chemicals Sector (NAICS 325) Energy use data source: 2010 EIA MECS (with adjustments) Footprint Last Revised: February 2014 View footprints for other sectors here. Manufacturing Energy and Carbon Footprint PDF icon Chemicals More Documents & Publications All Manufacturing (2010 MECS) MECS 2006 - Chemicals Cement (2010 MECS) Manufacturing Energy Sankey Diagrams Manufacturing energy Sankey diagrams map

  15. Tortuous path chemical preconcentrator (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Tortuous path chemical preconcentrator Title: Tortuous path chemical preconcentrator A non-planar, tortuous path chemical preconcentrator has a high internal surface area having a heatable sorptive coating that can be used to selectively collect and concentrate one or more chemical species of interest from a fluid stream that can be rapidly released as a concentrated plug into an analytical or microanalytical chain for separation and detection. The non-planar chemical preconcentrator comprises a

  16. Apparatus and methods for detecting chemical permeation

    DOE Patents [OSTI]

    Vo-Dinh, Tuan

    1994-01-01

    Apparatus and methods for detecting the permeation of hazardous or toxic chemicals through protective clothing are disclosed. The hazardous or toxic chemicals of interest do not possess the spectral characteristic of luminescence. The apparatus and methods utilize a spectrochemical modification technique to detect the luminescence quenching of an indicator compound which upon permeation of the chemical through the protective clothing, the indicator is exposed to the chemical, thus indicating chemical permeation.

  17. Protein Dynamics and Biocatalysis

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

    biocatalysis.gif A model of the Michaelis complex for the TEM-1penicillin system from molecular dynamics simulations. Investigators: P. A. Bash, Northwestern University Medical...

  18. Shared and Dynamic Libraries

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

    Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include...

  19. Chemical compositions, methods of making the chemical compositions, and structures made from the chemical compositions

    DOE Patents [OSTI]

    Yang, Lei; Cheng, Zhe; Liu, Ze; Liu, Meilin

    2015-01-13

    Embodiments of the present disclosure include chemical compositions, structures, anodes, cathodes, electrolytes for solid oxide fuel cells, solid oxide fuel cells, fuel cells, fuel cell membranes, separation membranes, catalytic membranes, sensors, coatings for electrolytes, electrodes, membranes, and catalysts, and the like, are disclosed.

  20. Olefin recovery via chemical absorption

    SciTech Connect (OSTI)

    Barchas, R.

    1998-06-01

    The recovery of fight olefins in petrochemical plants has generally been accomplished through cryogenic distillation, a process which is very capital and energy intensive. In an effort to simplify the recovery process and reduce its cost, BP Chemicals has developed a chemical absorption technology based on an aqueous silver nitrate solution. Stone & Webster is now marketing, licensing, and engineering the technology. The process is commercially ready for recovering olefins from olefin derivative plant vent gases, such as vents from polyethylene, polypropylene, ethylene oxide, and synthetic ethanol units. The process can also be used to debottleneck C{sub 2} or C{sub 3} splinters, or to improve olefin product purity. This paper presents the olefin recovery imp technology, discusses its applications, and presents economics for the recovery of ethylene and propylene.

  1. chemicals | netl.doe.gov

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

    chemicals Overview Key end products from coal gasification include hydrogen (and synthetic natural gas as a closely related product), electric power, fuels (mainly diesel fuel and gasoline), and fertilizer (which hinges on the large quantities of ammonia produced from gasification). In the context of liquid fuels, methanol can be added as an end product; in some locations (China in particular) methanol is a heavily-used fuel blending stock and feedstock for methyl tert-butyl ether (MTBE)

  2. Chemical vapor deposition of sialon

    DOE Patents [OSTI]

    Landingham, R.L.; Casey, A.W.

    A laminated composite and a method for forming the composite by chemical vapor deposition are described. The composite includes a layer of sialon and a material to which the layer is bonded. The method includes the steps of exposing a surface of the material to an ammonia containing atmosphere; heating the surface to at least about 1200/sup 0/C; and impinging a gas containing N/sub 2/, SiCl/sub 4/, and AlCl/sub 3/ on the surface.

  3. Chemical logging of geothermal wells

    DOE Patents [OSTI]

    Allen, Charles A.; McAtee, Richard E.

    1981-01-01

    The presence of geothermal aquifers can be detected while drilling in geothermal formations by maintaining a chemical log of the ratio of the concentrations of calcium to carbonate and bicarbonate ions in the return drilling fluid. A continuous increase in the ratio of the concentrations of calcium to carbonate and bicarbonate ions is indicative of the existence of a warm or hot geothermal aquifer at some increased depth.

  4. Chemical logging of geothermal wells

    DOE Patents [OSTI]

    Allen, C.A.; McAtee, R.E.

    The presence of geothermal aquifers can be detected while drilling in geothermal formations by maintaining a chemical log of the ratio of the concentrations of calcium to carbonate and bicarbonate ions in the return drilling fluid. A continuous increase in the ratio of the concentrations of calcium to carbonate and bicarbonate ions is indicative of the existence of a warm or hot geothermal aquifer at some increased depth.

  5. The 2011 Dynamics of Molecular Collisions Conference

    SciTech Connect (OSTI)

    Nesbitt, David J.

    2011-07-11

    The Dynamics of Molecular Collisions Conference focuses on all aspects of molecular collisions--experimental & theoretical studies of elastic, inelastic, & reactive encounters involving atoms, molecules, ions, clusters, & surfaces--as well as half collisions--photodissociation, photo-induced reaction, & photodesorption. The scientific program for the meeting in 2011 included exciting advances in both the core & multidisciplinary forefronts of the study of molecular collision processes. Following the format of the 2009 meeting, we also invited sessions in special topics that involve interfacial dynamics, novel emerging spectroscopies, chemical dynamics in atmospheric, combustion & interstellar environments, as well as a session devoted to theoretical & experimental advances in ultracold molecular samples. Researchers working inside & outside the traditional core topics of the meeting are encouraged to join the conference. We invite contributions of work that seeks understanding of how inter & intra-molecular forces determine the dynamics of the phenomena under study. In addition to invited oral sessions & contributed poster sessions, the scientific program included a formal session consisting of five contributed talks selected from the submitted poster abstracts. The DMC has distinguished itself by having the Herschbach Medal Symposium as part of the meeting format. This tradition of the Herschbach Medal was first started in the 2007 meeting chaired by David Chandler, based on a generous donation of funds & artwork design by Professor Dudley Herschbach himself. There are two such awards made, one for experimental & one for theoretical contributions to the field of Molecular Collision Dynamics, broadly defined. The symposium is always held on the last night of the meeting & has the awardees are asked to deliver an invited lecture on their work. The 2011 Herschbach Medal was dedicated to the contributions of two long standing leaders in Chemical Physics, Professor Yuan T. Lee & Professor George Schatz. Professor Lees research has been based on the development & use of advanced chemical kinetics & molecular beams to investigate & manipulate the behavior of fundamental chemical reactions. Lees work has been recognized by many awards, including the Nobel Prize for Chemistry in 1986, as well as Sloan Fellow, Dreyfus Scholar, Fellowship in the American Academy of Arts & Sciences, Fellowship in the American Physical Society, Guggenheim Fellow, Member National Academy of Sciences, Member Academia Sinica, E.O. Lawrence Award, Miller Professor, Berkeley, Fairchild Distinguished Scholar, Harrison Howe Award, Peter Debye Award, & the National Medal of Science. Lee also has served as the President of the Academia Sinica in Taiwan (ROC). Professor Schatzs research group is interested in using theory & computation to describe physical phenomena in a broad range of applications relevant to chemistry, physics, biology & engineering. Among the types of applications that we interested are: optical properties of nanoparticles & nanoparticle assemblies; using theory to model polymer properties; DNA structure, thermodynamics & dynamics; modeling self assembly & nanopatterning; & gas phase reaction dynamics. Among his many awards & distinctions have been appointment as an Alfred P. Sloan Research Fellow, Camille & Henry Dreyfus Teacher-Scholar, the Fresenius Award, Fellow of the American Physical Society, the Max Planck Research Award, Fellowship in the American Association for the Advancement of Science, & election to the International Academy of Quantum Molecular Sciences & the American Academy of Arts & Sciences. Dr Schatz is also lauded for his highly successful work as Editor for the Journal of Physical Chemistry. We requested $10,000 from DOE in support of this meeting. The money was distributed widely among the student & post doctoral fellows & some used to attract the very best scientists in the field. The organizers were committed to encouraging women & minorities as well as encourage the field of Chemical Physics in scientific

  6. Chemical tracking at the Rocky Flats Plant

    SciTech Connect (OSTI)

    Costain, D.B.

    1994-04-01

    EG&G Rocky Flats, Inc., has developed a chemical tracking system to support compliance with the Emergency Planning and community Right-to-Know Act (EPCRA) at the Rocky Flats Plant. This system, referred to as the EPCRA Chemical Control system (ECCS), uses bar code technology to uniquely identify and track the receipt, distribution, and use of chemicals. Chemical inventories are conducted using hand-held electronic scanners to update a site wide chemical database on a VAX 6000 computer. Information from the ECCS supports preparation of the EPCRA Tier II and Form R reports on chemical storage and use.

  7. Passive in-situ chemical sensor

    DOE Patents [OSTI]

    Morrell, Jonathan S.; Ripley, Edward B.

    2012-02-14

    A chemical sensor for assessing a chemical of interest. In typical embodiments the chemical sensor includes a first thermocouple and second thermocouple. A reactive component is typically disposed proximal to the second thermal couple, and is selected to react with the chemical of interest and generate a temperature variation that may be detected by a comparison of a temperature sensed by the second thermocouple compared with a concurrent temperature detected by the first thermocouple. Further disclosed is a method for assessing a chemical of interest and a method for identifying a reaction temperature for a chemical of interest in a system.

  8. Tanaka Chemical Corp | Open Energy Information

    Open Energy Info (EERE)

    Corp Jump to: navigation, search Name: Tanaka Chemical Corp Place: Fukui-shi, Fukui, Japan Zip: 910-3131 Product: Japanese chemical manufactuerer with a focus on materials for...

  9. Relationship between fabrication method and chemical stability...

    Office of Scientific and Technical Information (OSTI)

    Relationship between fabrication method and chemical stability of Ni-BaZr0.8Y0.2O3- ... Title: Relationship between fabrication method and chemical stability of ...

  10. Chemical Management (Vol. 2 of 3)

    Energy Savers [EERE]

    i TS DOE-HDBK-11392-2006 AUGUST 2006 DOE HANDBOOK CHEMICAL MANAGEMENT (Volume 2 of 3) Chemical Safety and Lifecycle Management U.S. Department of Energy AREA SAFT Washington, D.C. ...

  11. Searching for the Solar System's Chemical Recipe

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

    Searching for the Solar System's Chemical Recipe Searching for the Solar System's Chemical Recipe Print Wednesday, 20 February 2013 00:00 The ratio of isotopes in elements like ...

  12. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Studying the Solar System's Chemical Recipe Print Tuesday, 26 March 2013 00:00 To study the origins of different isotope ratios among ...

  13. Chemical Management (Volume 3 of 3)

    Office of Environmental Management (EM)

    DOE-HDBK-11393-2005 April 2005 DOE HANDBOOK CHEMICAL MANAGEMENT (Volume 3 of 3) Consolidated Chemical User Safety and Health Requirements U.S. Department of Energy AREA SAFT ...

  14. Theoretical Studies in Chemical Kinetics

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

    Studies in Chemical Kinetics ^ ^ iCi| under AEC Contract A T (30-1)-3780 " ■ ' Annual Report (1970) Principal In-vestigator: Martin Karpins Institution: Harvard University The research performed under this contract can best be sunmarized under several headings. (a) Alkali-Halideg Alkali-Halide (MX^ M*X*) Exchange Reactions. This project is being continued. A careful study of certain parameters obtained from alkali-halide crystals and used in the first surface for the KCl, NaBr were not

  15. Microcomponent chemical process sheet architecture

    DOE Patents [OSTI]

    Wegeng, Robert S.; Drost, M. Kevin; Call, Charles J.; Birmingham, Joseph G.; McDonald, Carolyn Evans; Kurath, Dean E.; Friedrich, Michele

    1998-01-01

    The invention is a microcomponent sheet architecture wherein macroscale unit processes are performed by microscale components. The sheet architecture may be a single laminate with a plurality of separate microcomponent sections or the sheet architecture may be a plurality of laminates with one or more microcomponent sections on each laminate. Each microcomponent or plurality of like microcomponents perform at least one chemical process unit operation. A first laminate having a plurality of like first microcomponents is combined with at least a second laminate having a plurality of like second microcomponents thereby combining at least two unit operations to achieve a system operation.

  16. Microcomponent chemical process sheet architecture

    DOE Patents [OSTI]

    Wegeng, R.S.; Drost, M.K.; Call, C.J.; Birmingham, J.G.; McDonald, C.E.; Kurath, D.E.; Friedrich, M.

    1998-09-22

    The invention is a microcomponent sheet architecture wherein macroscale unit processes are performed by microscale components. The sheet architecture may be a single laminate with a plurality of separate microcomponent sections or the sheet architecture may be a plurality of laminates with one or more microcomponent sections on each laminate. Each microcomponent or plurality of like microcomponents perform at least one chemical process unit operation. A first laminate having a plurality of like first microcomponents is combined with at least a second laminate having a plurality of like second microcomponents thereby combining at least two unit operations to achieve a system operation. 26 figs.

  17. Chemical vapor deposition of sialon

    DOE Patents [OSTI]

    Landingham, Richard L.; Casey, Alton W.

    1982-01-01

    A laminated composite and a method for forming the composite by chemical vapor deposition. The composite includes a layer of sialon and a material to which the layer is bonded. The method includes the steps of exposing a surface of the material to an ammonia containing atmosphere; heating the surface to at least about 1200.degree. C.; and impinging a gas containing in a flowing atmosphere of air N.sub.2, SiCl.sub.4, and AlCl.sub.3 on the surface.

  18. Chemical kinetics and combustion modeling

    SciTech Connect (OSTI)

    Miller, J.A.

    1993-12-01

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

  19. Chemical Hydrogen Storage Materials | Department of Energy

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

    Storage » Materials-Based Storage » Chemical Hydrogen Storage Materials Chemical Hydrogen Storage Materials The Fuel Cell Technologies Office's (FCTO's) chemical hydrogen storage materials research focuses on improving the volumetric and gravimetric capacity, transient performance, and efficient, cost-effective regeneration of the spent storage material. Technical Overview The category of chemical hydrogen storage materials generally refers to covalently bound hydrogen in either solid or

  20. CRAD, Chemical Management Implementation- June 30, 2011

    Broader source: Energy.gov [DOE]

    Chemical Management Implementation Inspection Criteria, Approach, and Lines of Inquiry (HSS CRAD 45-31, Rev. 1)

  1. Solar Dynamics | Open Energy Information

    Open Energy Info (EERE)

    Dynamics Jump to: navigation, search Name: Solar Dynamics Place: Ottumwa, Iowa Zip: IA 52501 Sector: Solar Product: Solar Dynamics is a US-based solar powered attic roof vents...

  2. Chemical heat pump and chemical energy storage system

    DOE Patents [OSTI]

    Clark, Edward C.; Huxtable, Douglas D.

    1985-08-06

    A chemical heat pump and storage system employs sulfuric acid and water. In one form, the system includes a generator and condenser, an evaporator and absorber, aqueous acid solution storage and water storage. During a charging cycle, heat is provided to the generator from a heat source to concentrate the acid solution while heat is removed from the condenser to condense the water vapor produced in the generator. Water is then stored in the storage tank. Heat is thus stored in the form of chemical energy in the concentrated acid. The heat removed from the water vapor can be supplied to a heat load of proper temperature or can be rejected. During a discharge cycle, water in the evaporator is supplied with heat to generate water vapor, which is transmitted to the absorber where it is condensed and absorbed into the concentrated acid. Both heats of dilution and condensation of water are removed from the thus diluted acid. During the discharge cycle the system functions as a heat pump in which heat is added to the system at a low temperature and removed from the system at a high temperature. The diluted acid is stored in an acid storage tank or is routed directly to the generator for reconcentration. The generator, condenser, evaporator, and absorber all are operated under pressure conditions specified by the desired temperature levels for a given application. The storage tanks, however, can be maintained at or near ambient pressure conditions. In another form, the heat pump system is employed to provide usable heat from waste process heat by upgrading the temperature of the waste heat.

  3. TOWARD CHEMICAL CONSTRAINTS ON HOT JUPITER MIGRATION

    SciTech Connect (OSTI)

    Madhusudhan, Nikku; Amin, Mustafa A.; Kennedy, Grant M., E-mail: nmadhu@ast.cam.ac.uk [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom)

    2014-10-10

    The origin of hot Jupitersgas giant exoplanets orbiting very close to their host starsis a long-standing puzzle. Planet formation theories suggest that such planets are unlikely to have formed in situ but instead may have formed at large orbital separations beyond the snow line and migrated inward to their present orbits. Two competing hypotheses suggest that the planets migrated either through interaction with the protoplanetary disk during their formation, or by disk-free mechanisms such as gravitational interactions with a third body. Observations of eccentricities and spin-orbit misalignments of hot Jupiter systems have been unable to differentiate between the two hypotheses. In the present work, we suggest that chemical depletions in hot Jupiter atmospheres might be able to constrain their migration mechanisms. We find that sub-solar carbon and oxygen abundances in Jovian-mass hot Jupiters around Sun-like stars are hard to explain by disk migration. Instead, such abundances are more readily explained by giant planets forming at large orbital separations, either by core accretion or gravitational instability, and migrating to close-in orbits via disk-free mechanisms involving dynamical encounters. Such planets also contain solar or super-solar C/O ratios. On the contrary, hot Jupiters with super-solar O and C abundances can be explained by a variety of formation-migration pathways which, however, lead to solar or sub-solar C/O ratios. Current estimates of low oxygen abundances in hot Jupiter atmospheres may be indicative of disk-free migration mechanisms. We discuss open questions in this area which future studies will need to investigate.

  4. Multipulsed dynamic moire interferometer

    DOE Patents [OSTI]

    Deason, Vance A.

    1991-01-01

    An improved dynamic moire interferometer comprised of a lasing medium providing a plurality of beams of coherent light, a multiple q-switch producing multiple trains of 100,000 or more pulses per second, a combining means collimating multiple trains of pulses into substantially a single train and directing beams to specimen gratings affixed to a test material, and a controller, triggering and sequencing the emission of the pulses with the occurrence and recording of a dynamic loading event.

  5. Photochemical reaction dynamics

    SciTech Connect (OSTI)

    Moore, B.C.

    1993-12-01

    The purpose of the program is to develop a fundamental understanding of unimolecular and bimolecular reaction dynamics with application in combustion and energy systems. The energy dependence in ketene isomerization, ketene dissociation dynamics, and carbonyl substitution on organometallic rhodium complexes in liquid xenon have been studied. Future studies concerning unimolecular processes in ketene as well as energy transfer and kinetic studies of methylene radicals are discussed.

  6. Apparatus and methods for detecting chemical permeation

    DOE Patents [OSTI]

    Vo-Dinh, T.

    1994-12-27

    Apparatus and methods for detecting the permeation of hazardous or toxic chemicals through protective clothing are disclosed. The hazardous or toxic chemicals of interest do not possess the spectral characteristic of luminescence. The apparatus and methods utilize a spectrochemical modification technique to detect the luminescence quenching of an indicator compound which upon permeation of the chemical through the protective clothing, the indicator is exposed to the chemical, thus indicating chemical permeation. The invention also relates to the fabrication of protective clothing materials. 13 figures.

  7. Chemically assisted in situ recovery of oil shale

    SciTech Connect (OSTI)

    Ramierz, W.F.

    1993-12-31

    The purpose of the research project was to investigate the feasibility of the chemically assisted in situ retort method for recovering shale oil from Colorado oil shale. The chemically assisted in situ procedure uses hydrogen chloride (HCl), steam (H{sub 2}O), and carbon dioxide (CO{sub 2}) at moderate pressure to recovery shale oil from Colorado oil shale at temperatures substantially lower than those required for the thermal decomposition of kerogen. The process had been previously examined under static, reaction-equilibrium conditions, and had been shown to achieve significant shale oil recoveries from powdered oil shale. The purpose of this research project was to determine if these results were applicable to a dynamic experiment, and achieve penetration into and recovery of shale oil from solid oil shale. Much was learned about how to perform these experiments. Corrosion, chemical stability, and temperature stability problems were discovered and overcome. Engineering and design problems were discovered and overcome. High recovery (90% of estimated Fischer Assay) was observed in one experiment. Significant recovery (30% of estimated Fischer Assay) was also observed in another experiment. Minor amounts of freed organics were observed in two more experiments. Penetration and breakthrough of solid cores was observed in six experiments.

  8. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, A.R.

    1987-06-23

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing the evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator. 5 figs.

  9. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, Arnold R.

    1987-01-01

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer (11) at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer (11) to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator (10) to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing he evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator.

  10. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, Arnold R.

    1987-01-01

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer (11) at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer (11) to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator (10) to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing the evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator.

  11. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, A.R.

    1987-11-24

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing the evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator. 5 figs.

  12. Chemical microreactor and method thereof

    DOE Patents [OSTI]

    Morse, Jeffrey D.; Jankowski, Alan

    2005-11-01

    A chemical microreactor suitable for generation of hydrogen fuel from liquid sources such as ammonia, methanol, and butane through steam reforming processes when mixed with an appropriate amount of water contains capillary microchannels with integrated resistive heaters to facilitate the occurrence of catalytic steam reforming reactions. One such microreactor employs a packed catalyst capillary microchannel and at least one porous membrane. Another employs a porous membrane with a large surface area or a porous membrane support structure containing a plurality of porous membranes having a large surface area in the aggregate, i.e., greater than about 1 m.sup.2 /cm.sup.3. The packed catalyst capillary microchannels, porous membranes and porous membrane support structures may be formed by a variety of methods.

  13. Vertical flow chemical detection portal

    DOE Patents [OSTI]

    Linker, K.L.; Hannum, D.W.; Conrad, F.J.

    1999-06-22

    A portal apparatus is described for screening objects or persons for the presence of trace amounts of chemical substances such as illicit drugs or explosives. The apparatus has a test space, in which a person may stand, defined by two generally upright sides spanned by a horizontal transom. One or more fans in the transom generate a downward air flow (uni-directional) within the test space. The air flows downwardly from a high pressure upper zone, past the object or person to be screened. Air moving past the object dislodges from the surface thereof both volatile and nonvolatile particles of the target substance. The particles are entrained into the air flow which continues flowing downward to a lower zone of reduced pressure, where the particle-bearing air stream is directed out of the test space and toward preconcentrator and detection components. The sides of the portal are specially configured to partially contain and maintain the air flow. 3 figs.

  14. Vertical flow chemical detection portal

    DOE Patents [OSTI]

    Linker, Kevin L.; Hannum, David W.; Conrad, Frank James

    1999-01-01

    A portal apparatus for screening objects or persons for the presence of trace amounts of chemical substances such as illicit drugs or explosives. The apparatus has a test space, in which a person may stand, defined by two generally upright sides spanned by a horizontal transom. One or more fans in the transom generate a downward air flow (uni-directional) within the test space. The air flows downwardly from a high pressure upper zone, past the object or person to be screened. Air moving past the object dislodges from the surface thereof both volatile and nonvolatile particles of the target substance. The particles are entrained into the air flow which continues flowing downward to a lower zone of reduced pressure, where the particle-bearing air stream is directed out of the test space and toward preconcentrator and detection components. The sides of the portal are specially configured to partially contain and maintain the air flow.

  15. Work Force Discipline--Withdrawn

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2012-04-05

    Withdrawn 4-26-14. Significant changes from the Order include the deletion of material included in other documents such as statutes and Federal regulations. In addition, an updated Table of Penalties now includes Smoking, Cyber Security, Standards of Conduct or other Ethical Violations, and the incorporation of the Travel and Purchase Card Guidance dated January 2003.

  16. Quantum effects in unimolecular reaction dynamics

    SciTech Connect (OSTI)

    Gezelter, J.D.

    1995-12-01

    This work is primarily concerned with the development of models for the quantum dynamics of unimolecular isomerization and photodissociation reactions. We apply the rigorous quantum methodology of a Discrete Variable Representation (DVR) with Absorbing Boundary Conditions (ABC) to these models in an attempt to explain some very surprising results from a series of experiments on vibrationally excited ketene. Within the framework of these models, we are able to identify the experimental signatures of tunneling and dynamical resonances in the energy dependence of the rate of ketene isomerization. Additionally, we investigate the step-like features in the energy dependence of the rate of dissociation of triplet ketene to form {sup 3}B{sub 1} CH{sub 2} + {sup 1}{sigma}{sup +} CO that have been observed experimentally. These calculations provide a link between ab initio calculations of the potential energy surfaces and the experimentally observed dynamics on these surfaces. Additionally, we develop an approximate model for the partitioning of energy in the products of photodissociation reactions of large molecules with appreciable barriers to recombination. In simple bond cleavage reactions like CH{sub 3}COCl {yields} CH{sub 3}CO + Cl, the model does considerably better than other impulsive and statistical models in predicting the energy distribution in the products. We also investigate ways of correcting classical mechanics to include the important quantum mechanical aspects of zero-point energy. The method we investigate is found to introduce a number of undesirable dynamical artifacts including a reduction in the above-threshold rates for simple reactions, and a strong mixing of the chaotic and regular energy domains for some model problems. We conclude by discussing some of the directions for future research in the field of theoretical chemical dynamics.

  17. Nuclear energy field fascinates David Parkinson, chemical engineer

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

    Nuclear energy field fascinates David Parkinson, chemical engineer Nuclear energy field fascinates David Parkinson, chemical engineer Chemical engineer undergraduate designs and ...

  18. ITP Chemicals: Final Report: Evaluation of Alternative Technologies...

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

    More Documents & Publications ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical Industry, ...

  19. Lee Chung Yung Chemical Industry Corporation | Open Energy Information

    Open Energy Info (EERE)

    Chung Yung Chemical Industry Corporation Jump to: navigation, search Name: Lee Chung Yung Chemical Industry Corporation Place: Taipei, Taiwan Product: Chemical manufacturer...

  20. Tracking single particle rotation: Probing dynamics in four dimensions

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

    Anthony, Stephen Michael; Yu, Yan

    2015-04-29

    Direct visualization and tracking of small particles at high spatial and temporal resolution provides a powerful approach to probing complex dynamics and interactions in chemical and biological processes. Analysis of the rotational dynamics of particles adds a new dimension of information that is otherwise impossible to obtain with conventional 3-D particle tracking. In this review, we survey recent advances in single-particle rotational tracking, with highlights on the rotational tracking of optically anisotropic Janus particles. Furthermore, strengths and weaknesses of the various particle tracking methods, and their applications are discussed.

  1. The photodissociation and reaction dynamics of vibrationally excited molecules

    SciTech Connect (OSTI)

    Crim, F.F.

    1993-12-01

    This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.

  2. Dynamic Transmission Electron Microscopy

    SciTech Connect (OSTI)

    Evans, James E.; Jungjohann, K. L.; Browning, Nigel D.

    2012-10-12

    Dynamic transmission electron microscopy (DTEM) combines the benefits of high spatial resolution electron microscopy with the high temporal resolution of ultrafast lasers. The incorporation of these two components into a single instrument provides a perfect platform for in situ observations of material processes. However, previous DTEM applications have focused on observing structural changes occurring in samples exposed to high vacuum. Therefore, in order to expand the pump-probe experimental regime to more natural environmental conditions, in situ gas and liquid chambers must be coupled with Dynamic TEM. This chapter describes the current and future applications of in situ liquid DTEM to permit time-resolved atomic scale observations in an aqueous environment, Although this chapter focuses mostly on in situ liquid imaging, the same research potential exists for in situ gas experiments and the successful integration of these techniques promises new insights for understanding nanoparticle, catalyst and biological protein dynamics with unprecedented spatiotemporal resolution.

  3. SOME CHEMICAL SAFETY ASPECTS AT LANL

    SciTech Connect (OSTI)

    J. LAUL

    2001-05-01

    Recently, the Department of Energy (DOE) and its contractors have begun activities to improve the quality and consistency of chemical safety programs throughout the DOE Complex. Several working groups have been formed to assemble a framework for systematically identifying and quantifying chemical hazards and managing chemical risks. At LANL, chemical safety program is implemented through Laboratory Implementation Requirements (LIRs), which are part of the Integrated Safety Management (ISM) plan that includes Safe Work Practices, emphasizing five core functions; define work, identify and analyze hazards, develop and implement controls, perform work safely, and ensure performance. Work is authorized in medium, low and minimal risk areas and not in high risk. Some chemical safety aspects are discussed in terms of chemical hazards and identification, screening, facility hazard categorization--Category A (high), Category B (moderate), and Category C (low), and their requirements in format and content in Authorization Safety Basis documents.

  4. Toxic chemical considerations for tank farm releases

    SciTech Connect (OSTI)

    Van Keuren, J.C.; Davis, J.S., Westinghouse Hanford

    1996-08-01

    This topical report contains technical information used to determine the accident consequences of releases of toxic chemical and gases for the Tank Farm Final Safety Analysis report (FSAR).It does not provide results for specific accident scenarios but does provide information for use in those calculations including chemicals to be considered, chemical concentrations, chemical limits and a method of summing the fractional contributions of each chemical. Tank farm composites evaluated were liquids and solids for double shell tanks, single shell tanks, all solids,all liquids, headspace gases, and 241-C-106 solids. Emergency response planning guidelines (ERPGs) were used as the limits.Where ERPGs were not available for the chemicals of interest, surrogate ERPGs were developed. Revision 2 includes updated sample data, an executive summary, and some editorial revisions.

  5. Electrostatic thin film chemical and biological sensor

    DOE Patents [OSTI]

    Prelas, Mark A.; Ghosh, Tushar K.; Tompson, Jr., Robert V.; Viswanath, Dabir; Loyalka, Sudarshan K.

    2010-01-19

    A chemical and biological agent sensor includes an electrostatic thin film supported by a substrate. The film includes an electrostatic charged surface to attract predetermined biological and chemical agents of interest. A charge collector associated with said electrostatic thin film collects charge associated with surface defects in the electrostatic film induced by the predetermined biological and chemical agents of interest. A preferred sensing system includes a charge based deep level transient spectroscopy system to read out charges from the film and match responses to data sets regarding the agents of interest. A method for sensing biological and chemical agents includes providing a thin sensing film having a predetermined electrostatic charge. The film is exposed to an environment suspected of containing the biological and chemical agents. Quantum surface effects on the film are measured. Biological and/or chemical agents can be detected, identified and quantified based on the measured quantum surface effects.

  6. Substructured multibody molecular dynamics.

    SciTech Connect (OSTI)

    Grest, Gary Stephen; Stevens, Mark Jackson; Plimpton, Steven James; Woolf, Thomas B. (Johns Hopkins University, Baltimore, MD); Lehoucq, Richard B.; Crozier, Paul Stewart; Ismail, Ahmed E.; Mukherjee, Rudranarayan M. (Rensselaer Polytechnic Institute, Troy, NY); Draganescu, Andrei I.

    2006-11-01

    We have enhanced our parallel molecular dynamics (MD) simulation software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator, lammps.sandia.gov) to include many new features for accelerated simulation including articulated rigid body dynamics via coupling to the Rensselaer Polytechnic Institute code POEMS (Parallelizable Open-source Efficient Multibody Software). We use new features of the LAMMPS software package to investigate rhodopsin photoisomerization, and water model surface tension and capillary waves at the vapor-liquid interface. Finally, we motivate the recipes of MD for practitioners and researchers in numerical analysis and computational mechanics.

  7. Dynamic cable analysis models

    SciTech Connect (OSTI)

    Palo, P.A.; Meggitt, D.J.; Nordell, W.J.

    1983-05-01

    This paper presents a summary of the development and validation of undersea cable dynamics computer models by the Naval Civil Engineering Laboratory (NCEL) under the sponsorship of the Naval Facilities Engineering Command. These models allow for the analysis of both small displacement (strumming) and large displacement (static and dynamic) deformations of arbitrarily configured cable structures. All of the large displacement models described in this paper are available to the public. This paper does not emphasize the theoretical development of the models (this information is available in other references) but emphasizes the various features of the models, the comparisons between model output and experimental data, and applications for which the models have been used.

  8. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  9. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  10. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  11. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  12. chemical_methods | netl.doe.gov

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

    Chemical Methods Chemical methods focus mainly on alkaline-surfactant-polymer (ASP) processes that involve the injection of micellar-polymers into the reservoir. Chemical flooding reduces the interfacial tension between the in-place crude oil and the injected water, allowing the oil to be produced. Micellar fluids are composed largely of surfactants mixed with water. Goals of polymer floods are to shut off excess water in producing wells, and to improve sweep efficiency to produce more oil.

  13. PRELIMINARY SURVEY OF TEXAS CITY CHEMICALS, INC.

    Office of Legacy Management (LM)

    TEXAS CITY CHEMICALS, INC. (BORDEN ct1Er4IcAL DIVISION 0~ BORDEN, INC.) TEXAS CITY, TEXAS Work performed by the Health and Safety Research Division Oak Ridge National Laboratory Oak Ridge, Tennessee 37830 March 1980 OAK RIDGE NATIONAL LABORATORY operated by UNION CARBIDE CORPORATION for the DEPARTMENT OF ENERGY as part of the Formerly Utilized Sites-- Remedial Action Program TEXAS CITY CHEMICALS, INC. (BORDEN CHEMICAL DIVISION 0~ BORDEN, INC. > TEXAS CITY, TEXAS At the request of the

  14. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  15. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  16. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  17. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  18. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  19. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Nanoscale Chemical Imaging of a Working Catalyst Print Wednesday, 28 January 2009 00:00 The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support,

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

    SciTech Connect (OSTI)

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

    1996-05-01

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

  1. 2005 Chemical Reactions at Surfaces

    SciTech Connect (OSTI)

    Cynthia M. Friend

    2006-03-14

    The Gordon Research Conference (GRC) on 2005 Chemical Reactions at Surfaces was held at Ventura Beach Marriott, Ventura California from February 13, 2005 through February 18, 2005. The Conference was well-attended with 124 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. In designing the formal speakers program, emphasis was placed on current unpublished research and discussion of the future target areas in this field. There was a conscious effort to stimulate lively discussion about the key issues in the field today. Time for formal presentations was limited in the interest of group discussions. In order that more scientists could communicate their most recent results, poster presentation time was scheduled. Attached is a copy of the formal schedule and speaker program and the poster program. In addition to these formal interactions, 'free time' was scheduled to allow informal discussions. Such discussions are fostering new collaborations and joint efforts in the field.

  2. Inventure Chemical Technology | Open Energy Information

    Open Energy Info (EERE)

    Technology Jump to: navigation, search Name: Inventure Chemical Technology Address: P.O. Box 530 Place: Gig Harbor, Washington Zip: 98335 Region: Pacific Northwest Area Sector:...

  3. Chemical Design Inc CDI | Open Energy Information

    Open Energy Info (EERE)

    Design Inc CDI Jump to: navigation, search Name: Chemical Design Inc (CDI) Place: Lockport, New York Zip: 14094 Product: US-based engineer of separation and purification plants;...

  4. Workshop: Synchrotron Applications in Chemical Catalysis | Stanford...

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

    Applications in Chemical Catalysis Tuesday, October 25, 2011 - 8:00am 2011 SSRLLCLS Annual Users Conference This workshop, part of the 2011 SSRLLCLS Annual Users...

  5. Sanyo Chemical Industries | Open Energy Information

    Open Energy Info (EERE)

    Industries Jump to: navigation, search Name: Sanyo Chemical Industries Place: Tokyo, Japan Zip: 103-0023 Product: String representation "Sanyo is a petr ... uction process." is...

  6. Integrated Chemical Geothermometry System for Geothermal Exploration

    Broader source: Energy.gov [DOE]

    DOE Geothermal Peer Review 2010 - Presentation. Develop practical and reliable system to predict geothermal reservoir temperatures from integrated chemical analyses of spring and well fluids.

  7. Rejuvenating Permeable Reactive Barriers by Chemical Flushing

    Broader source: Energy.gov [DOE]

    Final Report:Rejuvenating Permeable Reactive Barriers by Chemical Flushing,U.S. Environmental Protection Agency, Region 8 Support.August 2004

  8. Fuels and Chemicals from Lignocellulosic Biomass: Valorization...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Conference: Proposed for presentation at the Beijing University of Chemical Technology held October 31 - November 4, 2014 in Beijing, People's Republic of China. ...

  9. Division Director, Chemical Sciences, Geosciences and Biosciences

    Broader source: Energy.gov [DOE]

    The Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division is seeking a motivated and highly qualified individual to...

  10. Coalescence and Chemical Equilibrium in Multifragmentation at...

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

    ... Alchemy of the Universe: Nucleosynthesis of Chemical Elements, A. Banu, Saturday Morning Physics at Texas A&M University, College Station, Texas (February 2008). Determination of ...

  11. Coalescence and Chemical Equilibrium in Multifragmentation at...

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

    Coalescence and Chemical Equilibrium in Multifragmentation at Intermediate Energies, T. J. Keutgen, ACS Meeting 2001, San Diego, California, (April 2001). * Superallowed Beta ...

  12. Microbend fiber-optic chemical sensor

    DOE Patents [OSTI]

    Weiss, Jonathan D.

    2002-01-01

    A microbend fiber-optic chemical sensor for detecting chemicals in a sample, and a method for its use, is disclosed. The sensor comprises at least one optical fiber having a microbend section (a section of small undulations in its axis), for transmitting and receiving light. In transmission, light guided through the microbend section scatters out of the fiber core and interacts, either directly or indirectly, with the chemical in the sample, inducing fluorescence radiation. Fluorescence radiation is scattered back into the microbend section and returned to an optical detector for determining characteristics of the fluorescence radiation quantifying the presence of a specific chemical.

  13. Method and apparatus for chemical synthesis

    DOE Patents [OSTI]

    Kong; Peter C. , Herring; J. Stephen , Grandy; Jon D.

    2007-12-04

    A method and apparatus for forming a chemical hydride is described and which includes a pseudo-plasma-electrolysis reactor which is operable to receive a solution capable of forming a chemical hydride and which further includes a cathode and a movable anode, and wherein the anode is moved into and out of fluidic, ohmic electrical contact with the solution capable of forming a chemical hydride and which further, when energized produces an oxygen plasma which facilitates the formation of a chemical hydride in the solution.

  14. WEBINAR: MODULAR CHEMICAL PROCESS INTENSIFICATION INSTITUTE FOR...

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

    The Energy Department's Office of Energy Efficiency and Renewable Energy will conduct an informational webinar for the Modular Chemical Process Intensification Institute for Clean ...

  15. Studying the Solar System's Chemical Recipe

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

    Studying the Solar System's Chemical Recipe Print To study the origins of different isotope ratios among the elements that make up today's smorgasbord of planets, moons, comets,...

  16. ORISE: Chemical Stockpile Emergency Preparedness Program Exercise...

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

    Chemical Stockpile Emergency Preparedness Program Exercise Training and Analysis Tool Training Tool Improves Information Sharing Between CSEPP and its Response Partners In 2006,...

  17. Supercritical Carbon Dioxide / Reservoir Rock Chemical Interactions...

    Open Energy Info (EERE)

    Supercritical Carbon Dioxide Reservoir Rock Chemical Interactions Jump to: navigation, search Geothermal Lab Call Projects for Supercritical Carbon Dioxide Reservoir Rock...

  18. Characterization of Chemical Properties, Unit Cell Parameters...

    Office of Scientific and Technical Information (OSTI)

    They have been characterized by a variety of chemical and physical measurement methods: X-ray fluorescence (XRF), gravimetry, instrumental neutron activation analysis (INAA), ...

  19. Chemically stabilized ionomers containing inorganic fillers

    DOE Patents [OSTI]

    Roelofs, Mark Gerrit

    2013-12-31

    Ionomeric polymers that are chemically stabilized and contain inorganic fillers are prepared, and show reduced degradation. The ionomers care useful in membranes and electrochemical cells.

  20. Methods and compounds for chemical ligation

    DOE Patents [OSTI]

    Church, George M.; Sismour, A. Michael

    2013-07-09

    Compositions and methods for chemical ligation are provided. Methods for nucleic acid sequencing, nucleic acid assembly and nucleic acid synthesis are also provided.

  1. Nanoscale Chemical Imaging of a Working Catalyst

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

    interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction conditions is such a tall order that in some cases even...

  2. Air Products Chemicals Inc | Open Energy Information

    Open Energy Info (EERE)

    Air Products & Chemicals Inc Place: Allentown, Pennsylvania Zip: 18195 Sector: Hydro, Hydrogen, Services Product: A global supplier of merchant hydrogen with a portfolio of...

  3. Dynamics of helium films

    SciTech Connect (OSTI)

    Clements, B.E.; Epstein, J.L.; Krotscheck, E.; Tymczak, C.J.; Saarela, M.

    1992-11-01

    The authors present quantitative calculations for the static structure and the dynamics of quantum liquid films on a translationally invariant substrate. The excitation spectrum is calculated by solving the equations of motion for time-dependent one- and two-body densities. They find significant corrections to the Feynman spectrum for the phonon-like collective excitations. 8 refs., 2 figs.

  4. Chemical Transformation - Joint Center for Energy Storage Research

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

    Read More Chemical Transformation January 13, 2015, Research Highlights ... Read More Chemical Transformation December 16, 2014, Research Highlights Electrode ...

  5. Achieving atomistic understanding of solvation dynamics from X-ray

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

    free-electron laser measurements | Stanford Synchrotron Radiation Lightsource Achieving atomistic understanding of solvation dynamics from X-ray free-electron laser measurements Wednesday, April 6, 2016 - 3:00pm SLAC, Redtail Hawk Conference Room 108A Speaker: Kasper, Kjaer, PULSE Program Description The efficiency, selectivity, and rate of chemical reactions depend critically on the reaction environment. Solvation, the local organization of the solvent molecules around a solute, plays a

  6. Chemical Sputtering of Fusion Plasma-Facing Carbon Surfaces

    SciTech Connect (OSTI)

    Krstic, Predrag; Stuart, Steven J.; Reinhold, Carlos O.

    2006-12-01

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. We perform molecular dynamics simulations of the chemical sputtering of deuterated amorphous carbon surfaces irradiated by low energy deuterium atoms and molecules ( ? 30 eV/D). Particular attention was paid to the proper preparation of the surfaces, as well as to the internal (rovibrational) state of impinging molecules. Sputtered hydrocarbons are analyzed with respect to their mass, kinetic energy and angular distribution. The sputtering yields are in good agreement with recent experimental results.

  7. Chemical Safety Vulnerability Working Group Report

    SciTech Connect (OSTI)

    Not Available

    1994-09-01

    This report marks the culmination of a 4-month review conducted to identify chemical safety vulnerabilities existing at DOE facilities. This review is an integral part of DOE's efforts to raise its commitment to chemical safety to the same level as that for nuclear safety.

  8. Use and Misuse of Chemical Reactivity Spreadsheets

    SciTech Connect (OSTI)

    Simmons, F

    2005-09-20

    Misidentifying chemical hazards can have serious deleterious effects. Consequences of not identifying a chemical are obvious and include fires, explosions, injury to workers, etc. Consequences of identifying hazards that are really not present can be equally as bad. Misidentifying hazards can result in increased work with loss of productivity, increased expenses, utilization/consumption of scarce resources, and the potential to modify the work to include chemicals or processes that are actually more hazardous than those originally proposed. For these reasons, accurate hazard identification is critical to any safety program. Hazard identification in the world of chemistry is, at best, a daunting task. The knowing or understanding, of the reactions between any of approximately twelve million known chemicals that may be hazardous, is the reason for this task being so arduous. Other variables, such as adding other reactants/contaminants or changing conditions (e.g., temperature, pressure, or concentration), make hazard determination something many would construe as being more than impossibly difficult. Despite these complexities, people who do not have an extensive background in the chemical sciences can be called upon to perform chemical hazard identification. Because hazard identification in the area of chemical safety is so burdensome and because people with a wide variety of training are called upon to perform this work, tools are required to aid in chemical hazard identification. Many tools have been developed. Unfortunately, many of these tools are not seen as the limited resource that they are and are used inappropriately.

  9. Excellence in biotechnology for fuels and chemicals

    SciTech Connect (OSTI)

    Neufeld, S.

    1999-04-23

    The Biotechnology Center for Fuels and Chemicals (BCFC) leads a national effort, in cooperation with industry, to develop innovative, market-driven biotechnologies for producing fuels and chemicals from renewable resources. The BCFC researchers focus on using bioprocesses to convert renewable biomass feedstocks into valuable products.

  10. Surface wave chemical detector using optical radiation

    DOE Patents [OSTI]

    Thundat, Thomas G.; Warmack, Robert J.

    2007-07-17

    A surface wave chemical detector comprising at least one surface wave substrate, each of said substrates having a surface wave and at least one measurable surface wave parameter; means for exposing said surface wave substrate to an unknown sample of at least one chemical to be analyzed, said substrate adsorbing said at least one chemical to be sensed if present in said sample; a source of radiation for radiating said surface wave substrate with different wavelengths of said radiation, said surface wave parameter being changed by said adsorbing; and means for recording signals representative of said surface wave parameter of each of said surface wave substrates responsive to said radiation of said different wavelengths, measurable changes of said parameter due to adsorbing said chemical defining a unique signature of a detected chemical.

  11. Developing a Dynamic Pharmacophore Model for HIV-1 Integrase

    SciTech Connect (OSTI)

    Carlson, Heather A.; Masukawa, Keven M.; Rubins, Kathleen; Bushman, Frederic; Jorgensen, William L.; Lins, Roberto; Briggs, James; Mccammon, Andy

    2000-05-11

    We present the first receptor-based pharmacophore model for HIV-1 integrase. The development of ''dynamic'' pharmacophore models is a new method that accounts for the inherent flexibility of the active site and aims to reduce the entropic penalties associated with binding a ligand. Furthermore, this new drug discovery method overcomes the limitation of an incomplete crystal structure of the target protein. A molecular dynamics (MD) simulation describes the flexibility of the uncomplexed protein. Many conformational models of the protein are saved from the MD simulations and used in a series of multi-unit search for interacting conformers (MUSIC) simulations. MUSIC is a multiple-copy minimization method, available in the BOSS program; it is used to determine binding regions for probe molecules containing functional groups that complement the active site. All protein conformations from the MD are overlaid, and conserved binding regions for the probe molecules are identified. Those conserved binding regions define the dynamic pharmacophore model. Here, the dynamic model is compared to known inhibitors of the integrase as well as a three-point, ligand-based pharmacophore model from the literature. Also, a ''static'' pharmacophore model was determined in the standard fashion, using a single crystal structure. Inhibitors thought to bind in the active site of HIV-1 integrase fit the dynamic model but not the static model. Finally, we have identified a set of compounds from the Available Chemicals Directory that fit the dynamic pharmacophore model, and experimental testing of the compounds has confirmed several new inhibitors.

  12. Entanglement dynamics in chaotic systems

    SciTech Connect (OSTI)

    Ghose, Shohini [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Department of Physics and Astronomy, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Sanders, Barry C. [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Centre for Quantum Computer Technology, Macquarie University, Sydney, New South Wales (Australia)

    2004-12-01

    We study quantum chaos for systems with more than one degree of freedom, for which we present an analysis of the dynamics of entanglement. Our analysis explains the main features of entanglement dynamics and identifies entanglement-based signatures of quantum chaos. We discuss entanglement dynamics for a feasible experiment involving an atom in a magneto-optical trap and compare the results with entanglement dynamics for the well-studied quantum kicked top.

  13. Beam Dynamics for ARIA

    SciTech Connect (OSTI)

    Ekdahl, Carl August Jr.

    2014-10-14

    Beam dynamics issues are assessed for a new linear induction electron accelerator being designed for flash radiography of large explosively driven hydrodynamic experiments. Special attention is paid to equilibrium beam transport, possible emittance growth, and beam stability. It is concluded that a radiographic quality beam will be produced possible if engineering standards and construction details are equivalent to those on the present radiography accelerators at Los Alamos.

  14. Dynamic radioactive particle source

    DOE Patents [OSTI]

    Moore, Murray E.; Gauss, Adam Benjamin; Justus, Alan Lawrence

    2012-06-26

    A method and apparatus for providing a timed, synchronized dynamic alpha or beta particle source for testing the response of continuous air monitors (CAMs) for airborne alpha or beta emitters is provided. The method includes providing a radioactive source; placing the radioactive source inside the detection volume of a CAM; and introducing an alpha or beta-emitting isotope while the CAM is in a normal functioning mode.

  15. Roaming Molecule Dynamics

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

    Roaming Molecule Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs

  16. computational fluid dynamics

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

    computational fluid dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs

  17. Optimization of chemical etching process in niobium cavities

    SciTech Connect (OSTI)

    Tajima, T. (Tsuyoshi); Trabia, M.; Culbreth, W.; Subramanian, S.

    2004-01-01

    Superconducting niobium cavities are important components of linear accelerators. Buffered chemical polishing (BCP) on the inner surface of the cavity is a standard procedure to improve its performance. The quality of BCP, however, has not been optimized well in terms of the uniformity of surface smoothness. A finite element computational fluid dynamics (CFD) model was developed to simulate the chemical etching process inside the cavity. The analysis confirmed the observation of other researchers that the iris section of the cavity received more etching than the equator regions due to higher flow rate. The baffle, which directs flow towards the walls of the cavity, was redesigned using optimization techniques. The redesigned baffle significantly improves the performance of the etching process. To verify these results an experimental setup for flow visualization was created. The setup consists of a high speed, high resolution CCD camera. The camera is positioned by a computer-controlled traversing mechanism. A dye injecting arrangement is used for tracking the fluid path. Experimental results are in general agreement with CFD and optimization results.

  18. Mechanical-chemical coupling and self-organization in mudstones.

    SciTech Connect (OSTI)

    Heath, Jason E.; Dewers, Thomas A.

    2010-06-01

    Shales and other mudstones are the most abundant rock types in sedimentary basins, yet have received comparatively little attention. Common as hydrocarbon seals, these are increasingly being targeted as unconventional gas reservoirs, caprocks for CO{sub 2} sequestration, and storage repositories for waste. The small pore and grain size, large specific surface areas, and clay mineral structures lend themselves to rapid reaction rates accompanying changes in stress, pressure, temperature and chemical conditions. Under far from equilibrium conditions, mudrocks display a variety of spatio-temporal self-organized phenomena arising from the nonlinear coupling of mechanics with chemistry. Beginning with a detailed examination of nano-scale pore network structures in mudstones, we discuss the dynamics behind such self-organized phenomena as pressure solitons, chemically-induced flow self focusing and permeability transients, localized compaction, time dependent well-bore failure, and oscillatory osmotic fluxes as they occur in clay-bearing sediments. Examples are draw from experiments, numerical simulation, and the field. These phenomena bear on the ability of these rocks to serve as containment barriers.

  19. Dynamical impurity problems

    SciTech Connect (OSTI)

    Emery, V.J.; Kivelson, S.A.

    1993-12-31

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class.

  20. Gaussian approximations for stochastic systems with delay: Chemical Langevin equation and application to a Brusselator system

    SciTech Connect (OSTI)

    Brett, Tobias Galla, Tobias

    2014-03-28

    We present a heuristic derivation of Gaussian approximations for stochastic chemical reaction systems with distributed delay. In particular, we derive the corresponding chemical Langevin equation. Due to the non-Markovian character of the underlying dynamics, these equations are integro-differential equations, and the noise in the Gaussian approximation is coloured. Following on from the chemical Langevin equation, a further reduction leads to the linear-noise approximation. We apply the formalism to a delay variant of the celebrated Brusselator model, and show how it can be used to characterise noise-driven quasi-cycles, as well as noise-triggered spiking. We find surprisingly intricate dependence of the typical frequency of quasi-cycles on the delay period.

  1. Development of Computational Approaches for Simulation and Advanced Controls for Hybrid Combustion-Gasification Chemical Looping

    SciTech Connect (OSTI)

    Joshi, Abhinaya; Lou, Xinsheng; Neuschaefer, Carl; Chaudry, Majid; Quinn, Joseph

    2012-07-31

    This document provides the results of the project through September 2009. The Phase I project has recently been extended from September 2009 to March 2011. The project extension will begin work on Chemical Looping (CL) Prototype modeling and advanced control design exploration in preparation for a scale-up phase. The results to date include: successful development of dual loop chemical looping process models and dynamic simulation software tools, development and test of several advanced control concepts and applications for Chemical Looping transport control and investigation of several sensor concepts and establishment of two feasible sensor candidates recommended for further prototype development and controls integration. There are three sections in this summary and conclusions. Section 1 presents the project scope and objectives. Section 2 highlights the detailed accomplishments by project task area. Section 3 provides conclusions to date and recommendations for future work.

  2. Nonequilibrium Molecular Dynamics Simulations of the Rheology of Confined and Bulk Alkane Liquids

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

    Classical Molecular Dynamics Codes and Coupling of Length Scales Peter T. Cummings 1,2 , Normand Modine 3 and Randy Cygan 4 1 Chemical and Biomolecular Engineering, Vanderbilt U. 2 Center for Nanophase Materials Sciences, ORNL 3 Center for Integrated Nanotechnologies, SNL 4 Geochemistry Department, SNL BES / ASCR / NERSC Workshop Hilton Washington DC/Rockville Executive Meeting Center February 9-10, 2010 Tuesday, February 9, 2010 Classical Molecular Dynamics  A reminder...  For N atoms,

  3. General formulation of characteristic time for persistent chemicals in a multimedia environment

    SciTech Connect (OSTI)

    Bennett, D.H.; McKone, T.E.; Kastenberg, W.E.

    1999-02-01

    A simple yet representative method for determining the characteristic time a persistent organic pollutant remains in a multimedia environment is presented. The characteristic time is an important attribute for assessing long-term health and ecological impacts of a chemical. Calculating the characteristic time requires information on decay rates in multiple environmental media as well as the proportion of mass in each environmental medium. The authors explore the premise that using a steady-state distribution of the mass in the environment provides a means to calculate a representative estimate of the characteristic time while maintaining a simple formulation. Calculating the steady-state mass distribution incorporates the effect of advective transport and nonequilibrium effects resulting from the source terms. Using several chemicals, they calculate and compare the characteristic time in a representative multimedia environment for dynamic, steady-state, and equilibrium multimedia models, and also for a single medium model. They demonstrate that formulating the characteristic time based on the steady-state mass distribution in the environment closely approximates the dynamic characteristic time for a range of chemicals and thus can be used in decisions regarding chemical use in the environment.

  4. Molten uranium dioxide structure and dynamics

    SciTech Connect (OSTI)

    Skinner, L. B.; Parise, J. B.; Benmore, C. J.; Weber, J. K.R.; Williamson, M. A.; Tamalonis, A.; Hebden, A.; Wiencek, T.; Alderman, O. L.G.; Guthrie, M.; Leibowitz, L.

    2014-11-21

    Uranium dioxide (UO2) is the major nuclear fuel component of fission power reactors. A key concern during severe accidents is the melting and leakage of radioactive UO2 as it corrodes through its zirconium cladding and steel containment. Yet, the very high temperatures (>3140 kelvin) and chemical reactivity of molten UO2 have prevented structural studies. In this work, we combine laser heating, sample levitation, and synchrotron x-rays to obtain pair distribution function measurements of hot solid and molten UO2. The hot solid shows a substantial increase in oxygen disorder around the lambda transition (2670 K) but negligible U-O coordination change. On melting, the average U-O coordination drops from 8 to 6.7 ± 0.5. Molecular dynamics models refined to this structure predict higher U-U mobility than 8-coordinated melts.

  5. Molten uranium dioxide structure and dynamics

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

    Skinner, L. B.; Parise, J. B.; Benmore, C. J.; Weber, J. K.R.; Williamson, M. A.; Tamalonis, A.; Hebden, A.; Wiencek, T.; Alderman, O. L.G.; Guthrie, M.; et al

    2014-11-21

    Uranium dioxide (UO2) is the major nuclear fuel component of fission power reactors. A key concern during severe accidents is the melting and leakage of radioactive UO2 as it corrodes through its zirconium cladding and steel containment. Yet, the very high temperatures (>3140 kelvin) and chemical reactivity of molten UO2 have prevented structural studies. In this work, we combine laser heating, sample levitation, and synchrotron x-rays to obtain pair distribution function measurements of hot solid and molten UO2. The hot solid shows a substantial increase in oxygen disorder around the lambda transition (2670 K) but negligible U-O coordination change. Onmore » melting, the average U-O coordination drops from 8 to 6.7 ± 0.5. Molecular dynamics models refined to this structure predict higher U-U mobility than 8-coordinated melts.« less

  6. Exposure Levels for Chemical Threat Compounds; Information to Facilitate Chemical Incident Response

    SciTech Connect (OSTI)

    Hauschild, Veronique; Watson, Annetta Paule

    2013-01-01

    Exposure Standards, Limits and Guidelines for Chemical Threat Compunds ABSTRACT Exposure criteria for chemical warfare (CW) agents and certain toxic industrial chemicals (TICs) used as CW agents (such as chlorine fill in an improvised explosive device) have been developed for protection of the civilian general public, civilian employees in chemical agent processing facilities and deployed military populations. In addition, compound-specific concentrations have been developed to serve as how clean is clean enough clearance criteria guiding facility recovery following chemical terrorist or other hazardous release events. Such criteria are also useful to verify compound absence, identify containment boundaries and expedite facility recovery following chemical threat release. There is no single right value or concentration appropriate for all chemical hazard control applications. It is acknowledged that locating and comparing the many sources of CW agent and TIC exposure criteria has not been previously well-defined. This paper summarizes many of these estimates and assembles critical documentation regarding their derivation and use.

  7. Dynamic Analysis of Hybrid Energy Systems under Flexible Operation and Variable Renewable Generation -- Part I: Dynamic Performance Analysis and Part II: Dynamic Cost

    SciTech Connect (OSTI)

    Humberto E. Garcia; Amit Mohanty; Wen-Chiao Lin; Robert S. Cherry

    2013-04-01

    Dynamic analysis of hybrid energy systems (HES) under flexible operation and variable renewable generation is considered in order to better understand various challenges and opportunities associated with the high system variability arising from the integration of renewable energy into the power grid. Unique consequences are addressed by devising advanced HES solutions in which multiple forms of energy commodities, such as electricity and chemical products, may be exchanged. Dynamic models of various unit operations are developed and integrated within two different HES options. One HES option, termed traditional, produces electricity only and consists of a primary heat generator (PHG) (e.g., a small modular reactor), a steam turbine generator, a wind farm, and a battery storage. The other HES option, termed advanced, includes not only the components present in the traditional option but also a chemical plant complex to repurpose excess energy for non-electricity services, such as for the production of chemical goods (e.g., transportation fuel). In either case, a given HES is connected to the power grid at a point of common coupling and requested to deliver a certain electricity generation profile as dictated by a regional power grid operator based on a predicted demand curve. Dynamic analysis of these highly-coupled HES are performed to identify their key dynamical properties and limitations and to prescribe solutions for best managing and mitigating the high variability introduced from incorporating renewable energy into the energy mix. A comparative dynamic cost analysis is also conducted to determine best HES options. The cost function includes a set of metrics for computing fixed costs, such as fixed operations and maintenance (O&M) and overnight capital costs, and also variable operational costs, such as cost of variability, variable O&M cost, and cost of environmental impact, together with revenues. Assuming different options for implementing PHG (e.g., natural gas, coal, nuclear), preliminary results identify the level of renewable penetration at which a given advanced HES option (e.g., a nuclear hybrid) becomes increasingly more economical than a traditional electricity-only generation solution. Conditions are also revealed under which carbon resources may be better utilized as carbon sources for chemical production rather than as combustion material for electricity generation.

  8. How Do I Work with Chemicals?

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

    How Do I Work with Chemicals? Print Planning In your experiment proposal, you must indicate whether you will be working with chemicals at the ALS. In the Experiment Safety Sheet (ESS), identify each chemical that you will be working with and let ALS This e-mail address is being protected from spambots. You need JavaScript enabled to view it know if any are flammable, toxic, engineered nanomaterials or reactive items. LBNL has an on-line MSDS database that can provide information for most

  9. How Do I Work with Chemicals?

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

    How Do I Work with Chemicals? Print Planning In your experiment proposal, you must indicate whether you will be working with chemicals at the ALS. In the Experiment Safety Sheet (ESS), identify each chemical that you will be working with and let ALS This e-mail address is being protected from spambots. You need JavaScript enabled to view it know if any are flammable, toxic, engineered nanomaterials or reactive items. LBNL has an on-line MSDS database that can provide information for most

  10. How Do I Work with Chemicals?

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

    How Do I Work with Chemicals? Print Planning In your experiment proposal, you must indicate whether you will be working with chemicals at the ALS. In the Experiment Safety Sheet (ESS), identify each chemical that you will be working with and let ALS This e-mail address is being protected from spambots. You need JavaScript enabled to view it know if any are flammable, toxic, engineered nanomaterials or reactive items. LBNL has an on-line MSDS database that can provide information for most

  11. Chemically modified graphite for electrochemical cells

    DOE Patents [OSTI]

    Greinke, Ronald Alfred (Medina, OH); Lewis, Irwin Charles (Strongsville, OH)

    1998-01-01

    This invention relates to chemically modified graphite particles: (a) that are useful in alkali metal-containing electrode of a electrochemical cell comprising: (i) the electrode, (ii) a non-aqueous electrolytic solution comprising an organic aprotic solvent which solvent tends to decompose when the electrochemical cell is in use, and an electrically conductive salt of an alkali metal, and (iii) a counterelectrode; and (b) that are chemically modified with fluorine, chlorine, iodine or phosphorus to reduce such decomposition. This invention also relates to electrodes comprising such chemically modified graphite and a binder and to electrochemical cells containing such electrodes.

  12. Production of chemicals and fuels from biomass

    DOE Patents [OSTI]

    Woods, Elizabeth M.; Qiao, Ming; Myren, Paul; Cortright, Randy D.; Kania, John

    2015-12-15

    Described are methods, reactor systems, and catalysts for converting biomass to fuels and chemicals in a batch and/or continuous process. The process generally involves the conversion of water insoluble components of biomass, such as hemicellulose, cellulose and lignin, to volatile C.sub.2+O.sub.1-2 oxygenates, such as alcohols, ketones, cyclic ethers, esters, carboxylic acids, aldehydes, and mixtures thereof. In certain applications, the volatile C.sub.2+O.sub.1-2 oxygenates can be collected and used as a final chemical product, or used in downstream processes to produce liquid fuels, chemicals and other products.

  13. Chemical preconcentrator with integral thermal flow sensor

    DOE Patents [OSTI]

    Manginell, Ronald P.; Frye-Mason, Gregory C.

    2003-01-01

    A chemical preconcentrator with integral thermal flow sensor can be used to accurately measure fluid flow rate in a microanalytical system. The thermal flow sensor can be operated in either constant temperature or constant power mode and variants thereof. The chemical preconcentrator with integral thermal flow sensor can be fabricated with the same MEMS technology as the rest of the microanlaytical system. Because of its low heat capacity, low-loss, and small size, the chemical preconcentrator with integral thermal flow sensor is fast and efficient enough to be used in battery-powered, portable microanalytical systems.

  14. Chemically modified graphite for electrochemical cells

    DOE Patents [OSTI]

    Greinke, R.A.; Lewis, I.C.

    1998-05-26

    This invention relates to chemically modified graphite particles: (a) that are useful in alkali metal-containing electrode of a electrochemical cell comprising: (1) the electrode, (2) a non-aqueous electrolytic solution comprising an organic aprotic solvent which solvent tends to decompose when the electrochemical cell is in use, and an electrically conductive salt of an alkali metal, and (3) a counter electrode; and (b) that are chemically modified with fluorine, chlorine, iodine or phosphorus to reduce such decomposition. This invention also relates to electrodes comprising such chemically modified graphite and a binder and to electrochemical cells containing such electrodes. 3 figs.

  15. How Do I Work with Chemicals?

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

    How Do I Work with Chemicals? Print Planning In your experiment proposal, you must indicate whether you will be working with chemicals at the ALS. In the Experiment Safety Sheet (ESS), identify each chemical that you will be working with and let ALS This e-mail address is being protected from spambots. You need JavaScript enabled to view it know if any are flammable, toxic, engineered nanomaterials or reactive items. LBNL has an on-line MSDS database that can provide information for most

  16. How Do I Work with Chemicals?

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

    How Do I Work with Chemicals? Print Planning In your experiment proposal, you must indicate whether you will be working with chemicals at the ALS. In the Experiment Safety Sheet (ESS), identify each chemical that you will be working with and let ALS This e-mail address is being protected from spambots. You need JavaScript enabled to view it know if any are flammable, toxic, engineered nanomaterials or reactive items. LBNL has an on-line MSDS database that can provide information for most

  17. Chemical safety: asking the right questions

    SciTech Connect (OSTI)

    Whyte, Helena M; Quigley, David; Freshwater, David

    2008-01-01

    Recent reports have shown that, despite efforts to the contrary, chemical accidents continue to occur at an unacceptable rate and there is no evidence that this rate is decreasing. Based on this observation, one can conclude that previous analyses have not accurately identified and implemented appropriate fixes to eliminate identified root causes for chemical events. Based on this, it is time to reevaluate chemical accident data with a fresh eye and determine (a) what corrective actions have already been identified but have not been implemented, (b) what other root causes may be involved, and (c) what new corrective actions should be taken to eliminate these newly identified root causes.

  18. Method And Apparatus For Detecting Chemical Binding

    DOE Patents [OSTI]

    Warner, Benjamin P.; Havrilla, George J.; Miller, Thomasin C.; Wells, Cyndi A.

    2005-02-22

    The method for screening binding between a target binder and potential pharmaceutical chemicals involves sending a solution (preferably an aqueous solution) of the target binder through a conduit to a size exclusion filter, the target binder being too large to pass through the size exclusion filter, and then sending a solution of one or more potential pharmaceutical chemicals (preferably an aqueous solution) through the same conduit to the size exclusion filter after target binder has collected on the filter. The potential pharmaceutical chemicals are small enough to pass through the filter. Afterwards, x-rays are sent from an x-ray source to the size exclusion filter, and if the potential pharmaceutical chemicals form a complex with the target binder, the complex produces an x-ray fluorescence signal having an intensity that indicates that a complex has formed.

  19. Linyi Gelon Chemical | Open Energy Information

    Open Energy Info (EERE)

    China Product: Shangdong based cathode materials (LiMn2O4 and LiFePO4) maker for Lithium secondary batteries. References: Linyi Gelon Chemical1 This article is a stub. You...

  20. Chemical sensor with oscillating cantilevered probe

    DOE Patents [OSTI]

    Adams, Jesse D

    2013-02-05

    The invention provides a method of detecting a chemical species with an oscillating cantilevered probe. A cantilevered beam is driven into oscillation with a drive mechanism coupled to the cantilevered beam. A free end of the oscillating cantilevered beam is tapped against a mechanical stop coupled to a base end of the cantilevered beam. An amplitude of the oscillating cantilevered beam is measured with a sense mechanism coupled to the cantilevered beam. A treated portion of the cantilevered beam is exposed to the chemical species, wherein the cantilevered beam bends when exposed to the chemical species. A second amplitude of the oscillating cantilevered beam is measured, and the chemical species is determined based on the measured amplitudes.

  1. Coalescence and Chemical Equilibrium in Multifragmentation at...

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

    ... to the Texas A&M Radioactive Beam Upgrade, G.A. Souliotis, Invited talk, 232 nd National Meeting of the American Chemical Society, San Francisco, California, (September 2006). ...

  2. Chemical Hydrogen Storage Research and Development

    Broader source: Energy.gov [DOE]

    DOE's chemical hydrogen storage R&D is focused on developing low-cost energy-efficient regeneration systems for these irreversible hydrogen storage systems. Significant technical issues remain...

  3. Sensor for detecting and differentiating chemical analytes

    DOE Patents [OSTI]

    Yi, Dechang; Senesac, Lawrence R.; Thundat, Thomas G.

    2011-07-05

    A sensor for detecting and differentiating chemical analytes includes a microscale body having a first end and a second end and a surface between the ends for adsorbing a chemical analyte. The surface includes at least one conductive heating track for heating the chemical analyte and also a conductive response track, which is electrically isolated from the heating track, for producing a thermal response signal from the chemical analyte. The heating track is electrically connected with a voltage source and the response track is electrically connected with a signal recorder. The microscale body is restrained at the first end and the second end and is substantially isolated from its surroundings therebetween, thus having a bridge configuration.

  4. Method and apparatus for detecting chemical binding

    DOE Patents [OSTI]

    Warner, Benjamin P.; Havrilla, George J.; Miller, Thomasin C.; Wells, Cyndi A.

    2007-07-10

    The method for screening binding between a target binder and potential pharmaceutical chemicals involves sending a solution (preferably an aqueous solution) of the target binder through a conduit to a size exclusion filter, the target binder being too large to pass through the size exclusion filter, and then sending a solution of one or more potential pharmaceutical chemicals (preferably an aqueous solution) through the same conduit to the size exclusion filter after target binder has collected on the filter. The potential pharmaceutical chemicals are small enough to pass through the filter. Afterwards, x-rays are sent from an x-ray source to the size exclusion filter, and if the potential pharmaceutical chemicals form a complex with the target binder, the complex produces an x-ray fluorescence signal having an intensity that indicates that a complex has formed.

  5. Nanoscale Chemical Imaging of a Working Catalyst

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

    P.J. Kooyman, H.W. Zandbergen, C. Morin, B.M. Weckhuysen, and F.M.F. de Groot, "Nanoscale chemical imaging of a working catalyst by scanning transmission X-ray microscopy," Nature...

  6. Dow Chemical Company | Open Energy Information

    Open Energy Info (EERE)

    Company Jump to: navigation, search Name: Dow Chemical Company Place: Midland, MI Zip: 48667 Website: www.dow.com Coordinates: 43.6039709, -84.2370999 Show Map Loading map......

  7. Chemical vapor infiltration using microwave energy

    DOE Patents [OSTI]

    Devlin, David J.; Currier, Robert P.; Laia, Jr., Joseph R.; Barbero, Robert S.

    1993-01-01

    A method for producing reinforced ceramic composite articles by means of chemical vapor infiltration and deposition in which an inverted temperature gradient is utilized. Microwave energy is the source of heat for the process.

  8. Collaborating for Multi-Scale Chemical Science

    SciTech Connect (OSTI)

    William H. Green

    2006-07-14

    Advanced model reduction methods were developed and integrated into the CMCS multiscale chemical science simulation software. The new technologies were used to simulate HCCI engines and burner flames with exceptional fidelity.

  9. Chemical sensing of copper phthalocyanine sol-gel glass through organic vapors

    SciTech Connect (OSTI)

    Ridhi, R.; Gawri, Isha; Abbas, Saeed J.; Saini, G. S. S.; Tripathi, S. K.

    2015-05-15

    The sensitivities of metallophthalocyanine to vapor phase electron donors has gained significance in many areas and disciplines due to their sensing properties and ease of operation. In the present study the interaction mechanism of organic vapors in Copper Phthalocyanine (CuPc) sol-gel glass has been studied. The interaction mechanism is affected by many factors like morphology, electrical or optical properties of film. CuPc sol-gel glass has been synthesized using chemical route sol-gel method. Its structural characterization was conducted using XRD and the amorphous nature of the silicate glass was observed with characteristic ? polymorph phase of CuPc at around 6.64 with 13.30 interplanar spacing. The size of the particle as determined using Debbye Scherres formula comes out around 15.5?nm. The presence of ? phase of CuPc was confirmed using FTIR with the appearance of crystal parameter marker band at 787?cm-1. Apart from this A2u and Eu symmetry bands of CuPc have also been observed. The UV absorption spectrum of CuPc exhibits absorption peaks owing to ?? ?* and n? ?* transitions. A blue shift in the prepared CuPc glass has been observed as compared to the dopant CuPc salt indicating increase of band gap. A split in B (Soret) band and Q band appears as observed with the help of Lorentzian fitting. CuPc sol gel glass has been exposed with chemical vapors of Methanol, Benzene and Bromine individually and the electrical measurements have been carried out. These measurements show the variation in conductivity and the interaction mechanism has been analyzed.

  10. Annular gel reactor for chemical pattern formation

    DOE Patents [OSTI]

    Nosticzius, Zoltan; Horsthemke, Werner; McCormick, William D.; Swinney, Harry L.; Tam, Wing Y.

    1990-01-01

    The present invention is directed to an annular gel reactor suitable for the production and observation of spatiotemporal patterns created during a chemical reaction. The apparatus comprises a vessel having at least a first and second chamber separated one from the other by an annular polymer gel layer (or other fine porous medium) which is inert to the materials to be reacted but capable of allowing diffusion of the chemicals into it.

  11. Hobart named American Chemical Society Fellow

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

    Hobart named American Chemical Society Fellow August 21, 2013 David Hobart, long-time Chemistry Division employee and current affiliate in the National Security Education Center (NSEC), has been elected to Fellow of the American Chemical Society (ACS). The ACS honored him for his significant contributions to f-element science. The f-elements are those that have electrons in their f orbitals (lanthanides and the actinides). The ACS noted that Hobart contributed the reduction potential for the

  12. Microfabricated nitrogen-phosphorus detector : chemically mediated

    Office of Scientific and Technical Information (OSTI)

    thermionic emission. (Technical Report) | SciTech Connect Technical Report: Microfabricated nitrogen-phosphorus detector : chemically mediated thermionic emission. Citation Details In-Document Search Title: Microfabricated nitrogen-phosphorus detector : chemically mediated thermionic emission. Authors: Simonson, Robert Joseph ; Hess, Ryan Falcone ; Moorman, Matthew Wallace ; Boyle, Timothy J. Publication Date: 2012-09-01 OSTI Identifier: 1055647 Report Number(s): SAND2012-7778 DOE Contract

  13. Batteryless Chemical Detection - Energy Innovation Portal

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

    Advanced Materials Advanced Materials Find More Like This Return to Search Batteryless Chemical Detection Lawrence Livermore National Laboratory Contact LLNL About This Technology Publications: PDF Document Publication Advanced Materials, 2011, 23, 117-121. (1,804 KB) Technology Marketing Summary Existing nanosensor technologies employ gas, chemical, and biological detection methods that depend on an external power source (typically a battery) to operate. This limits conventional technologies by

  14. Real time chemical exposure and risk monitor

    DOE Patents [OSTI]

    Thrall, Karla D.; Kenny, Donald V.; Endres, George W. R.; Sisk, Daniel R.

    1997-01-01

    The apparatus of the present invention is a combination of a breath interface and an external exposure dosimeter interface to a chemical analysis device, all controlled by an electronic processor for quantitatively analyzing chemical analysis data from both the breath interface and the external exposure dosimeter for determining internal tissue dose. The method of the present invention is a combination of steps of measuring an external dose, measuring breath content, then analyzing the external dose and breath content and determining internal tissue dose.

  15. Expansion of ARAC for chemical releases

    SciTech Connect (OSTI)

    Baskett, R.L.; Blair, M.D.; Foster, C.S.; Taylor, A.G.

    1997-07-01

    In 1996 the Atmospheric Release Advisory Capability (ARAC) at Lawrence Livermore National Laboratory (LLNL) completed an effort to expand its national emergency response modeling system for chemical releases. Key components of the new capability include the integration of (1) an extensive chemical property database, (2) source modeling for tanks and evaporating pools, (3) denser-than-air dispersion, (4) public exposure guidelines, and (5) an interactive graphical user interface (GUI). Recent use and the future of the new capability are also discussed.

  16. Process safety management for highly hazardous chemicals

    SciTech Connect (OSTI)

    1996-02-01

    Purpose of this document is to assist US DOE contractors who work with threshold quantities of highly hazardous chemicals (HHCs), flammable liquids or gases, or explosives in successfully implementing the requirements of OSHA Rule for Process Safety Management of Highly Hazardous Chemicals (29 CFR 1910.119). Purpose of this rule is to prevent releases of HHCs that have the potential to cause catastrophic fires, explosions, or toxic exposures.

  17. Searching for the Solar System's Chemical Recipe

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

    Searching for the Solar System's Chemical Recipe Searching for the Solar System's Chemical Recipe Print Wednesday, 20 February 2013 00:00 The ratio of isotopes in elements like oxygen, sulfur, and nitrogen were once thought to be much the same everywhere, determined only by their different masses. Then isotope ratios in meteorites, interplanetary dust and gas, and the sun itself were found to differ from those on Earth. Planetary researchers like UC San Diego's Mark Thiemens and his colleagues,

  18. Dynamic Underground Stripping Project

    SciTech Connect (OSTI)

    Aines, R.; Newmark, R.; McConachie, W.; Udell, K.; Rice, D.; Ramirez, A.; Siegel, W.; Buettner, M.; Daily, W.; Krauter, P.; Folsom, E.; Boegel, A.J.; Bishop, D.; Udell, K.

    1992-01-01

    LLNL is collaborating with the UC Berkeley College of Engineering to develop and demonstrate a system of thermal remediation and underground imaging techniques for use in rapid cleanup of localized underground spills. Called ``Dynamic Stripping`` to reflect the rapid and controllable nature of the process, it will combine steam injection, direct electrical heating, and tomographic geophysical imaging in a cleanup of the LLNL gasoline spill. In the first 8 months of the project, a Clean Site engineering test was conducted to prove the field application of the techniques before moving the contaminated site in FY 92.

  19. Probing strong electroweak symmetry breaking dynamics through...

    Office of Scientific and Technical Information (OSTI)

    Probing strong electroweak symmetry breaking dynamics through quantum interferometry at ... Title: Probing strong electroweak symmetry breaking dynamics through quantum ...

  20. Dynamic Engineering | Open Energy Information

    Open Energy Info (EERE)

    firms to start-up ventures in the chemical, petroleum, pharmaceutical, biotech and food processing industries. Coordinates: 44.414935, -103.508979 Show Map Loading map......

  1. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

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

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature ismore » roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.« less

  2. Cantera Aerosol Dynamics Simulator

    Energy Science and Technology Software Center (OSTI)

    2004-09-01

    The Cantera Aerosol Dynamics Simulator (CADS) package is a general library for aerosol modeling to address aerosol general dynamics, including formation from gas phase reactions, surface chemistry (growth and oxidation), bulk particle chemistry, transport by Brownian diffusion, thermophoresis, and diffusiophoresis with linkage to DSMC studies, and thermal radiative transport. The library is based upon Cantera, a C++ Cal Tech code that handles gas phase species transport, reaction, and thermodynamics. The method uses a discontinuous galerkinmore » formulation for the condensation and coagulation operator that conserves particles, elements, and enthalpy up to round-off error. Both O-D and 1-D time dependent applications have been developed with the library. Multiple species in the solid phase are handled as well. The O-D application, called Tdcads (Time Dependent CADS) is distributed with the library. Tdcads can address both constant volume and constant pressure adiabatic homogeneous problems. An extensive set of sample problems for Tdcads is also provided.« less

  3. SIAM conference on applications of dynamical systems. Abstracts and author index

    SciTech Connect (OSTI)

    Not Available

    1992-12-31

    A conference (Oct.15--19, 1992, Snowbird, Utah; sponsored by SIAM (Society for Industrial and Applied Mathematics) Activity Group on Dynamical Systems) was held that highlighted recent developments in applied dynamical systems. The main lectures and minisymposia covered theory about chaotic motion, applications in high energy physics and heart fibrillations, turbulent motion, Henon map and attractor, integrable problems in classical physics, pattern formation in chemical reactions, etc. The conference fostered an exchange between mathematicians working on theoretical issues of modern dynamical systems and applied scientists. This two-part document contains abstracts, conference program, and an author index.

  4. DuPont Chemical Vapor Technical Report

    SciTech Connect (OSTI)

    MOORE, T.L.

    2003-10-03

    DuPont Safety Resources was tasked with reviewing the current chemical vapor control practices and providing preventive recommendations on best commercial techniques to control worker exposures. The increased focus of the tank closure project to meet the 2024 Tri-Party Agreement (TPA) milestones has surfaced concerns among some CH2MHill employees and other interested parties. CH2MHill is committed to providing a safe working environment for employees and desires to safely manage the tank farm operations using appropriate control measures. To address worker concerns, CH2MHill has chartered a ''Chemical Vapors Project'' to integrate the activities of multiple CH2MHill project teams, and solicit the expertise of external resources, including an independent Industrial Hygiene expert panel, a communications consultant, and DuPont Safety Resources. Over a three-month time period, DuPont worked with CH2MHill ESH&Q, Industrial Hygiene, Engineering, and the independent expert panel to perform the assessment. The process included overview presentations, formal interviews, informal discussions, documentation review, and literature review. DuPont Safety Resources concluded that it is highly unlikely that workers in the tank farms are exposed to chemicals above established standards. Additionally, the conventional and radiological chemistry is understood, the inherent chemical hazards are known, and the risk associated with chemical vapor exposure is properly managed. The assessment highlighted management's commitment to addressing chemical vapor hazards and controlling the associated risks. Additionally, we found the Industrial Hygiene staff to be technically competent and well motivated. The tank characterization data resides in a comprehensive database containing the tank chemical compositions and relevant airborne concentrations.

  5. Mr. R. M. Zielinski, Plant Manager Amoco Chemical Company

    Office of Legacy Management (LM)

    D .C. 20545 Mr. R. M. Zielinski, Plant Manager Amoco Chemical Company P.O. Box 568 Texas ... As you may be aware, the Amoco Chemical Company site (formerly Texas City Chemicals, Inc.) ...

  6. DOE - Office of Legacy Management -- Spencer Chemical Co - KS...

    Office of Legacy Management (LM)

    KS 0-01 FUSRAP Considered Sites Site: SPENCER CHEMICAL CO. (KS.0-01 ) Eliminated from ... Also see Documents Related to SPENCER CHEMICAL CO. KS.0-01-1 - Spencer Chemical Company ...

  7. DOE - Office of Legacy Management -- Spencer Chemical Co - MO...

    Office of Legacy Management (LM)

    MO 0-01 FUSRAP Considered Sites Site: SPENCER CHEMICAL CO. (MO.0-01) Eliminated from ... Also see Documents Related to SPENCER CHEMICAL CO. MO.0-01-1 - Spencer Chemical Company ...

  8. Dynamics, Spectral Geometry and Topology

    SciTech Connect (OSTI)

    Burghelea, Dan

    2011-02-10

    The paper is an informal report on joint work with Stefan Haller on Dynamics in relation with Topology and Spectral Geometry. By dynamics one means a smooth vector field on a closed smooth manifold; the elements of dynamics of concern are the rest points, instantons and closed trajectories. One discusses their counting in the case of a generic vector field which has some additional properties satisfied by a still very large class of vector fields.

  9. Los Alamos Dynamics Summer School

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

    Los Alamos Dynamics Summer School » Los Alamos Dynamics Summer School The Seventeenth Los Alamos Dynamics Summer School Program Information and Application Process Contact Institute Director Charles Farrar (505) 665-0860 Email Executive Administrator Ellie Vigil (505) 667-2718 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email How to Apply Students should email the following documents to LADSSApply@lanl.gov Application Form (pdf) A one-page cover letter describing your interest

  10. Los Alamos Dynamics Summer School

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

    Los Alamos Dynamics Summer School The Seventeenth Los Alamos Dynamics Summer School School overview and focus. Contact Institute Director Charles Farrar (505) 665-0860 Email Executive Administrator Ellie Vigil (505) 667-2818 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email The Los Alamos Dynamics Summer School is a very selective summer school in which top upper-level US-citizen undergraduate students from universities around the nation attend lectures and work in teams of three

  11. Los Alamos Dynamics Summer School

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

    The Seventeenth Los Alamos Dynamics Summer School Program Information and Application Process Contact Institute Director Charles Farrar (505) 663-5330 Email Executive...

  12. Dynamic bed reactor

    DOE Patents [OSTI]

    Stormo, Keith E. (Moscow, ID)

    1996-07-02

    A dynamic bed reactor is disclosed in which a compressible open cell foam matrix is periodically compressed and expanded to move a liquid or fluid through the matrix. In preferred embodiments, the matrix contains an active material such as an enzyme, biological cell, chelating agent, oligonucleotide, adsorbent or other material that acts upon the liquid or fluid passing through the matrix. The active material may be physically immobilized in the matrix, or attached by covalent or ionic bonds. Microbeads, substantially all of which have diameters less than 50 microns, can be used to immobilize the active material in the matrix and further improve reactor efficiency. A particularly preferred matrix is made of open cell polyurethane foam, which adsorbs pollutants such as polychlorophenol or o-nitrophenol. The reactors of the present invention allow unidirectional non-laminar flow through the matrix, and promote intimate exposure of liquid reactants to active agents such as microorganisms immobilized in the matrix.

  13. Engineered Barrier System: Physical and Chemical Environment

    SciTech Connect (OSTI)

    P. Dixon

    2004-04-26

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.

  14. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect (OSTI)

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

    2009-01-20

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

  15. Dynamic Information Architecture System

    Energy Science and Technology Software Center (OSTI)

    1997-02-12

    The Dynamic Information System (DIAS) is a flexible object-based software framework for concurrent, multidiscplinary modeling of arbitrary (but related) processes. These processes are modeled as interrelated actions caused by and affecting the collection of diverse real-world objects represented in a simulation. The DIAS architecture allows independent process models to work together harmoniously in the same frame of reference and provides a wide range of data ingestion and output capabilities, including Geographic Information System (GIS) typemore » map-based displays and photorealistic visualization of simulations in progress. In the DIAS implementation of the object-based approach, software objects carry within them not only the data which describe their static characteristics, but also the methods, or functions, which describe their dynamic behaviors. There are two categories of objects: (1) Entity objects which have real-world counterparts and are the actors in a simulation, and (2) Software infrastructure objects which make it possible to carry out the simulations. The Entity objects contain lists of Aspect objects, each of which addresses a single aspect of the Entity''s behavior. For example, a DIAS Stream Entity representing a section of a river can have many aspects correspondimg to its behavior in terms of hydrology (as a drainage system component), navigation (as a link in a waterborne transportation system), meteorology (in terms of moisture, heat, and momentum exchange with the atmospheric boundary layer), and visualization (for photorealistic visualization or map type displays), etc. This makes it possible for each real-world object to exhibit any or all of its unique behaviors within the context of a single simulation.« less

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    Open Energy Info (EERE)

    Product: Nova Chemicals has signed an agreement with Reliance Industries to construct energy efficient buildings in India. References: Nova Chemicals & Reliance Industries...

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  5. Radiation and Chemical Risk Management | Argonne National Laboratory

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    Read More Chemical Transformation June 5, 2015, Research Highlights Biphasic Electrode ... Read More Chemical Transformation Redox Flow April 27, 2015, Research Highlights ...

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  14. Los Alamos scientist wins American Chemical Society award

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    Energy Savers [EERE]

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

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  10. Los Alamos researcher named as American Chemical Society Fellow

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  19. Chemical Scientist Hendrik Bluhm Receives Bessel Research Award

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

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