National Library of Energy BETA

Sample records for m-area chemical oxidation

  1. Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation

    SciTech Connect (OSTI)

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

    2006-11-10

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 Published and unpublished data from the Lille rapid compression machine, as well as jet-stirred reactor data are used to validate the mechanism.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

  2. Fe(III) Oxide Reactivity Toward Biological versus Chemical

    E-Print Network [OSTI]

    Roden, Eric E.

    size, surface area, and solubility of the mineral. Such variations lead to a continuum of Fe(III) oxideFe(III) Oxide Reactivity Toward Biological versus Chemical Reduction E R I C E . R O D E N of synthetic Fe(III) oxides with a broad range of crystallinity and specific surface area were examined

  3. Chemical and Physical Modification of Graphitic Materials by Oxidative Processes and Solvent Intercalation 

    E-Print Network [OSTI]

    Werke, Carrie Beth

    2014-08-27

    is by chemical functionalization, such as oxidation. This work looks at two different oxidation techniques for graphite; UV/O3 exposure and biased AFM lithography for broad and local oxidation, respectively. For the supported graphitic samples including graphene...

  4. A chemical approach to understanding oxide surfaces James A. Enterkin a,b,c

    E-Print Network [OSTI]

    Marks, Laurence D.

    A chemical approach to understanding oxide surfaces James A. Enterkin a,b,c , Andres E. Becerra-Toledo d , Kenneth R. Poeppelmeier a,b,c , Laurence D. Marks c,d, a Chemical Sciences and Engineering Keywords: Bond valence sum Coordination Chemical bond Surface structure Metal oxide Chemical bonding has

  5. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    be good catalysts for catalytic oxidation of small organicsolution, indicative of catalytic oxidation of urea presentactive catalytic species for water oxidation. The catalytic

  6. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

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

    2007-09-17

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

  7. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

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

    2007-09-20

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

  8. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

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

    2008-08-15

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

  9. Isomer-Specific Biodegradation and Chemical Oxidation of Nonylphenol

    E-Print Network [OSTI]

    Lu, Zhijiang

    2014-01-01

    in U.S. sewage sludges and chemical fate in outdoor soilendocrine disrupting chemicals by potassium permanganate inconfidential 2006 IUR company/chemical records." Retrieved

  10. Oxidative chemical vapor deposition of conductive polymers for use in novel photovoltaic device architectures

    E-Print Network [OSTI]

    Howden, Rachel M. (Rachel Mary)

    2013-01-01

    The conductive polymer poly(3,4-ethylenedioxythiophene), (PEDOT), deposited via oxidative chemical vapor deposition (oCVD) has been investigated for use in organic electronic devices. The oCVD process as well as the ...

  11. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    Abstract Hydrogen energy with high energy density representsWang Hydrogen gas is chemical fuel with high energy density,

  12. Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide

    E-Print Network [OSTI]

    for the preparation of graphene sheets from graphite. After numerous failed attempts to create graphene-based sheetsSynthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide Sasha of a colloidal suspension of exfoliated graphene oxide sheets in water with hydrazine hydrate results

  13. Evaluation of Novel Ceria-Supported Metal Oxides As Oxygen Carriers for Chemical-Looping Combustion

    E-Print Network [OSTI]

    Azad, Abdul-Majeed

    for copper-based materials, and at 950 °C for iron- and manganese-based materials. Methane or syngas (50% COEvaluation of Novel Ceria-Supported Metal Oxides As Oxygen Carriers for Chemical-Looping Combustion of Chemical and Biological Engineering, Chalmers University of Technology, SE-412 96 Goteborg, Sweden

  14. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    the reported solar conversion efficiency of hematitelead to a good solar conversion efficiency. 16, 24, 26, 27for urea oxidation, the solar conversion efficiency of TiO 2

  15. Plasma enhanced chemical vapor deposition (PECVD) method of forming vanadium oxide films and vanadium oxide thin-films prepared thereby

    DOE Patents [OSTI]

    Zhang, Ji-Guang (Golden, CO); Tracy, C. Edwin (Golden, CO); Benson, David K. (Golden, CO); Turner, John A. (Littleton, CO); Liu, Ping (Lakewood, CO)

    2000-01-01

    A method is disclosed of forming a vanadium oxide film on a substrate utilizing plasma enhanced chemical vapor deposition. The method includes positioning a substrate within a plasma reaction chamber and then forming a precursor gas comprised of a vanadium-containing chloride gas in an inert carrier gas. This precursor gas is then mixed with selected amounts of hydrogen and oxygen and directed into the reaction chamber. The amounts of precursor gas, oxygen and hydrogen are selected to optimize the final properties of the vanadium oxide film An rf plasma is generated within the reaction chamber to chemically react the precursor gas with the hydrogen and the oxygen to cause deposition of a vanadium oxide film on the substrate while the chamber deposition pressure is maintained at about one torr or less. Finally, the byproduct gases are removed from the plasma reaction chamber.

  16. Aerosol chemical vapor deposition of metal oxide films

    DOE Patents [OSTI]

    Ott, K.C.; Kodas, T.T.

    1994-01-11

    A process of preparing a film of a multicomponent metal oxide including: forming an aerosol from a solution comprised of a suitable solvent and at least two precursor compounds capable of volatilizing at temperatures lower than the decomposition temperature of said precursor compounds; passing said aerosol in combination with a suitable oxygen-containing carrier gas into a heated zone, said heated zone having a temperature sufficient to evaporate the solvent and volatilize said precursor compounds; and passing said volatilized precursor compounds against the surface of a substrate, said substrate having a sufficient temperature to decompose said volatilized precursor compounds whereby metal atoms contained within said volatilized precursor compounds are deposited as a metal oxide film upon the substrate is disclosed. In addition, a coated article comprising a multicomponent metal oxide film conforming to the surface of a substrate selected from the group consisting of silicon, magnesium oxide, yttrium-stabilized zirconium oxide, sapphire, or lanthanum gallate, said multicomponent metal oxide film characterized as having a substantially uniform thickness upon said substrate.

  17. Cyclic catalytic upgrading of chemical species using metal oxide materials

    DOE Patents [OSTI]

    White, James H; Schutte, Erick J; Rolfe, Sara L

    2013-05-07

    Processes are disclosure which comprise alternately contacting an oxygen-carrying catalyst with a reducing substance, or a lower partial pressure of an oxidizing gas, and then with the oxidizing gas or a higher partial pressure of the oxidizing gas, whereby the catalyst is alternately reduced and then regenerated to an oxygenated state. In certain embodiments, the oxygen-carrying catalyst comprises at least one metal oxide-containing material containing a composition having the following formulas: (a) Ce.sub.xB.sub.yB'.sub.zB''O.sub..delta., wherein B=Ba, Sr, Ca, or Zr; B'=Mn, Co, and/or Fe; B''=Cu; 0.01oxides.

  18. Cyclic catalytic upgrading of chemical species using metal oxide materials

    DOE Patents [OSTI]

    White, James H. (Boulder, CO); Schutte, Erick J. (Thornton, CO); Rolfe, Sara L. (Loveland, CO)

    2010-11-02

    Processes are disclosure which comprise alternately contacting an oxygen-carrying catalyst with a reducing substance, or a lower partial pressure of an oxidizing gas, and then with the oxidizing gas or a higher partial pressure of the oxidizing gas, whereby the catalyst is alternately reduced and then regenerated to an oxygenated state. In certain embodiments, the oxygen-carrying catalyst comprises at least one metal oxide-containing material containing a composition having one of the following formulas: (a) Ce.sub.xB.sub.yB'.sub.zB''O.sub..delta., wherein B=Ba, Sr, Ca, or Zr; B'=Mn, Co, or Fe; B''=Cu; 0.01

  19. Chemical vapor deposition of fluorine-doped zinc oxide

    DOE Patents [OSTI]

    Gordon, Roy G. (Cambridge, MA); Kramer, Keith (Avon Lake, OH); Liang, Haifan (Santa Clara, CA)

    2000-06-06

    Fims of fluorine-doped zinc oxide are deposited from vaporized precursor compounds comprising a chelate of a dialkylzinc, such as an amine chelate, an oxygen source, and a fluorine source. The coatings are highly electrically conductive, transparent to visible light, reflective to infrared radiation, absorbing to ultraviolet light, and free of carbon impurity.

  20. Synergetic effects of mixed copper-iron oxides oxygen carriers in chemical looping combustion

    SciTech Connect (OSTI)

    Siriwardane, Ranjani; Tian, Hanjing; Simonyi, Thomas; Poston, James

    2013-06-01

    Chemical looping combustion (CLC) is an emerging technology for clean energy production from fuels. CLC produces sequestration-ready CO{sub 2}-streams without a significant energy penalty. Development of efficient oxygen carriers is essential to successfully operate a CLC system. Copper and iron oxides are promising candidates for CLC. Copper oxide possesses high reactivity but it has issues with particle agglomeration due to its low melting point. Even though iron oxide is an inexpensive oxygen carrier it has a slower reactivity. In this study, mixed metal oxide carriers containing iron and copper oxides were evaluated for coal and methane CLC. The components of CuO and Fe{sub 2}O{sub 3} were optimized to obtain good reactivity while maintaining physical and chemical stability during cyclic reactions for methane-CLC and solid-fuel CLC. Compared with single metal oxygen carriers, the optimized Cu–Fe mixed oxide oxygen carriers demonstrated high reaction rate, better combustion conversion, greater oxygen usage and improved physical stability. Thermodynamic calculations, XRD, TGA, flow reactor studies and TPR experiments suggested that there is a strong interaction between CuO and Fe{sub 2}O{sub 3} contributing to a synergistic effect during CLC reactions. The amount of oxygen release of the mixed oxide carrier in the absence of a fuel was similar to that of the single metal oxides. However, in the presence of fuels, the oxygen consumption and the reaction profiles of the mixed oxide carriers were significantly better than that of the single metal oxides. The nature of the fuel not only influenced the reactivity, but also the final reduction status of the oxygen carriers during chemical looping combustion. Cu oxide of the mixed oxide was fully reduced metallic copper with both coal and methane. Fe oxide of the mixed oxide was fully reduced Fe metal with methane but it was reduced to only FeO with coal. Possible mechanisms of how the presence of CuO enhances the reduction of Fe{sub 2}O{sub 3} are discussed.

  1. A quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst surface

    E-Print Network [OSTI]

    Senkan, Selim M.

    for the selective catalytic reduction (SCR) of nitric oxide by ammonia on (0 1 0) V2O5 surface represented by a V2O9; Density functional theory; DFT; V2O5 1. Introduction Selective catalytic reduction (SCR) of nitric oxideA quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst

  2. Correlation of Chemical and Mechanical Property Changes During Oxidative Degradation of Neoprene

    SciTech Connect (OSTI)

    Celina, M.; Wise, J.; Ottesen, D.K.; Gillen, K.T.; Clough, R.L.

    1999-07-01

    The thermal degradation of a commercial, stabilized, unfilled neoprene (chloroprene) rubber was investigated at temperatures up to 140 C. The degradation of this material is dominated by oxidation rather than dehydrochlorination. Important heterogeneous oxidation effects were observed at the various temperatures investigated using infrared micro-spectroscopy and modulus profiling. Intensive degradation-related spectral changes in the IR occurred in the conjugated carbonyl and hydroxyl regions. Quantitative analysis revealed some differences in the development of the IR oxidation profiles, particularly towards the sample surface. These chemical degradation profiles were compared with modulus profiles (mechanical properties). It is concluded that the profile development is fundamentally described by a diffusion-limited autoxidation mechanism. Oxygen consumption measurements showed that the oxidation rates display non-Arrhenius behavior (curvature) at low temperatures. The current results, when compared to those of a previously studied, clay-filled commercial neoprene formulation, indicate that the clay filler acts as an antioxidant, but only at low temperatures.

  3. Synthesis of Metal Oxide Nanomaterials for Chemical Sensors by Molecular Beam Epitaxy

    SciTech Connect (OSTI)

    Nandasiri, Manjula I.; Kuchibhatla, Satyanarayana V N T; Thevuthasan, Suntharampillai

    2013-12-01

    Since the industrial revolution, detection and monitoring of toxic matter, chemical wastes, and air pollutants has become an important environmental issue. Thus, it leads to the development of chemical sensors for various environmental applications. The recent disastrous oil spills over the near-surface of ocean due to the offshore drilling emphasize the use of chemical sensors for prevention and monitoring of the processes that might lead to these mishaps.1, 2 Chemical sensors operated on a simple principle that the sensing platform undergoes a detectable change when exposed to the target substance to be sensed. Among all the types of chemical sensors, solid state gas sensors have attracted a great deal of attention due to their advantages such as high sensitivity, greater selectivity, portability, high stability and low cost.3, 4 Especially, semiconducting metal oxides such as SnO2, TiO2, and WO3 have been widely used as the active sensing platforms in solid state gas sensors.5 For the enhanced properties of solid state gas sensors, finding new sensing materials or development of existing materials will be needed. Thus, nanostructured materials such as nanotubes,6-8 nanowires,9-11 nanorods,12-15 nanobelts,16, 17 and nano-scale thin films18-23 have been synthesized and studied for chemical sensing applications.

  4. On-line coating of glass with tin oxide by atmospheric pressure chemical vapor deposition.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Sopko, J.F. (PPF Industries, Pittsburgh, PA); Houf, William G.; Chae, Yong Kee; McDaniel, Anthony H.; Li, M. (PPF Industries, Pittsburgh, PA); McCamy, J.W. (PPF Industries, Pittsburgh, PA)

    2006-11-01

    Atmospheric pressure chemical vapor deposition (APCVD) of tin oxide is a very important manufacturing technique used in the production of low-emissivity glass. It is also the primary method used to provide wear-resistant coatings on glass containers. The complexity of these systems, which involve chemical reactions in both the gas phase and on the deposition surface, as well as complex fluid dynamics, makes process optimization and design of new coating reactors a very difficult task. In 2001 the U.S. Dept. of Energy Industrial Technologies Program Glass Industry of the Future Team funded a project to address the need for more accurate data concerning the tin oxide APCVD process. This report presents a case study of on-line APCVD using organometallic precursors, which are the primary reactants used in industrial coating processes. Research staff at Sandia National Laboratories in Livermore, CA, and the PPG Industries Glass Technology Center in Pittsburgh, PA collaborated to produce this work. In this report, we describe a detailed investigation of the factors controlling the growth of tin oxide films. The report begins with a discussion of the basic elements of the deposition chemistry, including gas-phase thermochemistry of tin species and mechanisms of chemical reactions involved in the decomposition of tin precursors. These results provide the basis for experimental investigations in which tin oxide growth rates were measured as a function of all major process variables. The experiments focused on growth from monobutyltintrichloride (MBTC) since this is one of the two primary precursors used industrially. There are almost no reliable growth-rate data available for this precursor. Robust models describing the growth rate as a function of these variables are derived from modeling of these data. Finally, the results are used to conduct computational fluid dynamic simulations of both pilot- and full-scale coating reactors. As a result, general conclusions are reached concerning the factors affecting the growth rate in on-line APCVD reactors. In addition, a substantial body of data was generated that can be used to model many different industrial tin oxide coating processes. These data include the most extensive compilation of thermochemistry for gas-phase tin-containing species as well as kinetic expressions describing tin oxide growth rates over a wide range of temperatures, pressures, and reactant concentrations.

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

    SciTech Connect (OSTI)

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

    2010-05-15

    Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet-stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines. (author)

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

    SciTech Connect (OSTI)

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

    2009-07-21

    Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines.

  7. Chemical Synthesis of Nano-Sized particles of Lead Oxide and their Characterization Studies

    E-Print Network [OSTI]

    M. Alagar; T. Theivasanthi; A. Kubera Raja

    2012-04-04

    The quantum dots of semiconductor display novel and interesting phenomena that have not been in the bulk material. The color tunability is one of the most attractive characteristics in II-VI semiconductor nanoparticles such as CdS, ZnS, CdSe, ZnSe and PbO. In this work, the semiconductor lead oxide nanoparticles are prepared by chemical method. The average particle size, specific surface area, crystallinity index are estimated from XRD analysis. The structural, functional groups and optical characters are analyzed with using of SEM, FTIR and UV- Visible techniques. The optical band gap value has also been determined.

  8. Chemical Synthesis of Nano-Sized particles of Lead Oxide and their Characterization Studies

    E-Print Network [OSTI]

    Alagar, M; Raja, A Kubera; 10.3923/jas.2012.398.401

    2012-01-01

    The quantum dots of semiconductor display novel and interesting phenomena that have not been in the bulk material. The color tunability is one of the most attractive characteristics in II-VI semiconductor nanoparticles such as CdS, ZnS, CdSe, ZnSe and PbO. In this work, the semiconductor lead oxide nanoparticles are prepared by chemical method. The average particle size, specific surface area, crystallinity index are estimated from XRD analysis. The structural, functional groups and optical characters are analyzed with using of SEM, FTIR and UV- Visible techniques. The optical band gap value has also been determined.

  9. Survey: Destruction of chemical agent simulants in supercritical water oxidation. Master's thesis

    SciTech Connect (OSTI)

    Blank, M.R.

    1992-07-01

    The supercritical water oxidation (SCWO) process exhibits distinct advantages for destruction of toxic wastes. Examples of these wastes are two chemical agent simulants, dimethyl methylphosphonate (DMMP) and thiodiglycol (2,2'-thiodiethanol). DMMP is similar to the nerve agent GB Sarin in structure, and thiodiglycol is a hydrolysis product of the blister agent HD Sulfur Mustard. Both simulants are miscible in water and relatively non-toxic in comparison to the actual chemical agents. Using a Laboratory-scale, batch three temperatures were investigated: 425 deg C, 450 deg C, and 500 deg C with an initial concentration of one percent by volume, 11,450 mg/L for DMMP and 12,220 mg/L for thiodiglycol. Residence times investigated were: 1, 2, 3, 6, and 8 minutes. Reactor beat-up (H.U.) was determined to be one minute. Both pyrolysis and oxidation tests were conducted. Oxygen levels were uniformly set at 200% of stoichiometric requirements for the parent compounds.

  10. Studies on the chemical synthesis and characterization of lead oxide nanoparticles with different organic capping agents

    SciTech Connect (OSTI)

    Arulmozhi, K. T., E-mail: arulsheelphy@gmail.com [Physics Wing (DDE), Annamalai University, Tamil Nadu, India - 608 002 (India); Mythili, N. [Department of Physics, Annamalai University, Tamil Nadu, India - 608 002 (India)] [Department of Physics, Annamalai University, Tamil Nadu, India - 608 002 (India)

    2013-12-15

    Lead oxide (PbO) nanoparticles were chemically synthesized using Lead (II) acetate as precursor. The effects of organic capping agents such as Oleic acid, Ethylene Diamine Tetra Acetic acid (EDTA) and Cetryl Tri Methyl Butoxide (CTAB) on the size and morphology of the nanoparticles were studied. Characterization techniques such as X-ray diffraction (XRD), Fourier Transform-Infrared spectroscopy (FT-IR), Photoluminescence (PL) Field Emission Scanning Electron Microscopy (FE-SEM), Energy Dispersive Spectroscopy (EDS) and Transmission Electron Microscopy (TEM) were used to analyse the prepared nanoparticles for their physical, structural and optical properties. The characterization studies reveal that the synthesized PbO nanoparticles had well defined crystalline structure and sizes in the range of 25 nm to 36 nm for capping agents used and 40 nm for pure PbO nanoparticles.

  11. Co-generation of electricity and chemicals from propane fuel in solid oxide fuel cells with anode containing nano-bimetallic catalyst

    E-Print Network [OSTI]

    Frenkel, Anatoly

    as an anode in direct propane fueled solid oxide fuel cells (SOFCs). After exposure of the initial single systems. Ó 2014 Elsevier B.V. All rights reserved. 1. Introduction Solid oxide fuel cells (SOFCsCo-generation of electricity and chemicals from propane fuel in solid oxide fuel cells with anode

  12. The Statistical Evolution of Multiple Generations of Oxidation Products in the Photochemical Aging of Chemically Reduced Organic Aerosol

    SciTech Connect (OSTI)

    Wilson, Kevin R.; Smith, Jared D.; Kessler, Sean; Kroll, Jesse H.

    2011-10-03

    The heterogeneous reaction of hydroxyl radicals (OH) with squalane and bis(2-ethylhexyl) sebacate (BES) particles are used as model systems to examine how distributions of reactionproducts evolve during the oxidation of chemically reduced organic aerosol. A kinetic model of multigenerational chemistry, which is compared to previously measured (squalane) and new(BES) experimental data, reveals that it is the statistical mixtures of different generations of oxidation products that control the average particle mass and elemental composition during thereaction. The model suggests that more highly oxidized reaction products, although initially formed with low probability, play a large role in the production of gas phase reaction products.In general, these results highlight the importance of considering atmospheric oxidation as a statistical process, further suggesting that the underlying distribution of molecules could playimportant roles in aerosol formation as well as in the evolution of key physicochemical properties such as volatility and hygroscopicity.

  13. Liquidus temperature and chemical durability of selected glasses to immobilize rare earth oxides waste

    SciTech Connect (OSTI)

    Mohd Fadzil, Syazwani Binti; Hrma, Pavel R.; Schweiger, Michael J.; Riley, Brian J.

    2015-06-30

    Pyroprocessing is a reprocessing method for managing and reusing used nuclear fuel (UNF) by dissolving it in an electrorefiner with a molten alkali or alkaline earth chloride salt mixture while avoiding wet reprocessing. Pyroprocessing UNF with a LiCl-KCl eutectic salt releases the fission products from the fuel and generates a variety of metallic and salt-based species, including rare earth (RE) chlorides. If the RE-chlorides are converted to oxides, borosilicate glass is a prime candidate for their immobilization because of its durability and ability to dissolve almost any RE waste component into the matrix at high loadings. Crystallization that occurs in waste glasses as the waste loading increases may complicate glass processing and affect the product quality. This work compares three types of borosilicate glasses in terms of liquidus temperature (TL): the International Simple Glass designed by the International Working Group, sodium borosilicate glass developed by Korea Hydro and Nuclear Power, and the lanthanide aluminoborosilicate (LABS) glass established in the United States. The LABS glass allows the highest waste loadings (over 50 mass% RE2O3) while possessing an acceptable chemical durability.

  14. Chemical and Radiochemical Composition of Thermally Stabilized Plutonium Oxide from the Plutonium Finishing Plant Considered as Alternate Feedstock for the Mixed Oxide Fuel Fabrication Facility

    SciTech Connect (OSTI)

    Tingey, Joel M.; Jones, Susan A.

    2005-07-01

    Eighteen plutonium oxide samples originating from the Plutonium Finishing Plant (PFP) on the Hanford Site were analyzed to provide additional data on the suitability of PFP thermally stabilized plutonium oxides and Rocky Flats oxides as alternate feedstock to the Mixed Oxide Fuel Fabrication Facility (MFFF). Radiochemical and chemical analyses were performed on fusions, acid leaches, and water leaches of these 18 samples. The results from these destructive analyses were compared with nondestructive analyses (NDA) performed at PFP and the acceptance criteria for the alternate feedstock. The plutonium oxide materials considered as alternate feedstock at Hanford originated from several different sources including Rocky Flats oxide, scrap from the Remote Mechanical C-Line (RMC) and the Plutonium Reclamation Facility (PRF), and materials from other plutonium conversion processes at Hanford. These materials were received at PFP as metals, oxides, and solutions. All of the material considered as alternate feedstock was converted to PuO2 and thermally stabilized by heating the PuO2 powder at 950 C in an oxidizing environment. The two samples from solutions were converted to PuO2 by precipitation with Mg(OH)2. The 18 plutonium oxide samples were grouped into four categories based on their origin. The Rocky Flats oxide was divided into two categories, low- and high-chloride Rocky Flats oxides. The other two categories were PRF/RMC scrap oxides, which included scrap from both process lines and oxides produced from solutions. The two solution samples came from samples that were being tested at Pacific Northwest National Laboratory because all of the plutonium oxide from solutions at PFP had already been processed and placed in 3013 containers. These samples originated at the PFP and are from plutonium nitrate product and double-pass filtrate solutions after they had been thermally stabilized. The other 16 samples originated from thermal stabilization batches before canning at PFP. Samples varied in appearance depending on the original source of material. Rocky Flats items were mostly dark olive green with clumps that crushed easily with a mortar and pestle. PRF/RMC items showed more variability. These items were mostly rust colored. One sample contained white particles that were difficult to crush, and another sample was a dark grey with a mixture of fines and large, hard fragments. The appearance and feel of the fragments indicated they might be an alloy. The color of the solution samples was indicative of the impurities in the sample. The double-pass filtrate solution was a brown color indicative of the iron impurities in the sample. The other solution sample was light gray in color. Radiochemical analyses, including thermal ionization mass spectrometry (TIMS), alpha and gamma energy analysis (AEA and GEA), and kinetic phosphorescence analysis (KPA), indicate that these materials are all weapons-grade plutonium with consistent plutonium isotopics. A small amount of uranium (<0.14 wt%) is also present in these samples. The isotopic composition of the uranium varied widely but was consistent among each category of material. The primary water-soluble anions in these samples were Cl-, NO3-, SO42-, and PO43-. The only major anion observed in the Rocky Flats materials was Cl-, but the PRF/RMC samples had significant quantities of all of the primary anions observed. Prompt gamma measurements provide a representative analysis of the Cl- concentration in the bulk material. The primary anions observed in the solution samples were NO3-, and PO43-. The concentration of these anions did not exceed the mixed oxide (MOX) specification limits. Cations that exceeded the MOX specification limits included Cr, Fe, Ni, Al, Cu, and Si. All of the samples exceeded at least the 75% specification limit in one element.

  15. Volatile organometallic complexes suitable for use in chemical vapor depositions on metal oxide films

    DOE Patents [OSTI]

    Giolando, Dean M.

    2003-09-30

    Novel ligated compounds of tin, titanium, and zinc are useful as metal oxide CVD precursor compounds without the detriments of extreme reactivity yet maintaining the ability to produce high quality metal oxide coating by contact with heated substrates.

  16. Short communication Chemically abrupt interface between Ce oxide and Fe films

    E-Print Network [OSTI]

    Kim, Sehun

    of an Fe film followed by deposition of Ce metal. Once a Ce oxide layer is formed on top of Fe, it acts.90.+f; 74.25.jb; 79.60 Ài; 79.60.Dp Keywords: MTJ; Ce oxide layer; XPS Magnetic tunneling junctions (MTJ of the oxide layer, resulting in decreased tunneling magneto- resistance and fluctuations in the local

  17. Regenerable MgO promoted metal oxide oxygen carriers for chemical looping combustion

    DOE Patents [OSTI]

    Siriwardane, Ranjani V.; Miller, Duane D.

    2014-08-19

    The disclosure provides an oxygen carrier comprised of a plurality of metal oxide particles in contact with a plurality of MgO promoter particles. The MgO promoter particles increase the reaction rate and oxygen utilization of the metal oxide when contacting with a gaseous hydrocarbon at a temperature greater than about 725.degree. C. The promoted oxide solid is generally comprised of less than about 25 wt. % MgO, and may be prepared by physical mixing, incipient wetness impregnation, or other methods known in the art. The oxygen carrier exhibits a crystalline structure of the metal oxide and a crystalline structure of MgO under XRD crystallography, and retains these crystalline structures over subsequent redox cycles. In an embodiment, the metal oxide is Fe.sub.2O.sub.3, and the gaseous hydrocarbon is comprised of methane.

  18. Photocatalytic and chemical oxidation of organic compounds in supercritical carbon dioxide. Progress report for FY97

    SciTech Connect (OSTI)

    Blake, D.M.; Bryant, D.L.; Reinsch, V.

    1997-09-30

    'The background for the project is briefly reviewed and the work done during the nine months since funding was received is documented. Work began in January, 1997. A post doctoral fellow joined the team in April. The major activities completed this fiscal year were: staffing the project, design of the experimental system, procurement of components, assembly of the system. preparation of the Safe Operating Procedure and ES and H compliance, pressure testing, establishing data collection and storage methodology, and catalyst preparation. Objective The objective of the project is to develop new chemistry for the removal of organic contaminants from supercritical carbon dioxide. This has application in processes used for continuous cleaning and extraction of parts and waste materials. A secondary objective is to increase the fundamental understanding of photocatalytic chemistry. Cleaning and extraction using supercritical carbon dioxide (scCO{sub 2}) can be applied to the solution of a wide range of environmental and pollution prevention problems in the DOE complex. Work is being done that explores scCO{sub 2} in applications ranging from cleaning contaminated soil to cleaning components constructed from plutonium. The rationale for use of scCO{sub 2} are based on the benign nature, availability and low cost, attractive solvent properties, and energy efficient separation of the extracted solute from the solvent by moderate temperature or pressure changes. To date, R and D has focussed on the methods and applications of the extraction steps of the process. Little has been done that addresses methods to polish the scCO{sub 2} for recycle in the cleaning or extraction operations. In many applications it will be desirable to reduce the level of contamination from that which would occur at steady state operation of a process. This proposal addresses chemistry to achieve that. This would be an alternative to removing a fraction of the contaminated scCO{sub 2} for disposal and using makeup scCO{sub 2}. A chemical polishing operation can reduce the release of CO{sub 2} from the process. It can also reduce the consumption of reagents that may be used in the process to enhance extraction and cleaning. A polishing operation will also reduce or avoid formation of an additional waste stream. Photocatalytic and other photochemical oxidation chemistry have not been investigated in scCO{sub 2}. The large base of information for these reactions in water, organic solvents, or air suggest that the chemistry will work in carbon dioxide. There are compelling reasons to believe that the properties of scCO{sub 2} should increase the performance of photocatalytic chemistry over that found in more conventional fluid phases.'

  19. Effect of oxidant concentration, exposure time, and seed particles on secondary organic aerosol chemical composition and yield

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

    Lambe, A. T.; Chhabra, P. S.; Onasch, T. B.; Brune, W. H.; Hunter, J. F.; Kroll, J. H.; Cummings, M. J.; Brogan, J. F.; Parmar, Y.; Worsnop, D. R.; et al

    2015-03-18

    We performed a systematic intercomparison study of the chemistry and yields of secondary organic aerosol (SOA) generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous flow reactor and several environmental chambers. In the flow reactor, SOA precursors were oxidized using OH concentrations ranging from 2.0 × 108 to 2.2 × 1010 molec cm-3 over exposure times of 100 s. In the environmental chambers, precursors were oxidized using OH concentrations ranging from 2 × 106 to 2 × 107 molec cm-3 over exposure times of several hours. The OH concentration in themore »chamber experiments is close to that found in the atmosphere, but the integrated OH exposure in the flow reactor can simulate atmospheric exposure times of multiple days compared to chamber exposure times of only a day or so. In most cases, for a specific SOA type the most-oxidized chamber SOA and the least-oxidized flow reactor SOA have similar mass spectra, oxygen-to-carbon and hydrogen-to-carbon ratios, and carbon oxidation states at integrated OH exposures between approximately 1 × 1011 and 2 × 1011 molec cm-3 s, or about 1–2 days of equivalent atmospheric oxidation. This observation suggests that in the range of available OH exposure overlap for the flow reactor and chambers, SOA elemental composition as measured by an aerosol mass spectrometer is similar whether the precursor is exposed to low OH concentrations over long exposure times or high OH concentrations over short exposure times. This similarity in turn suggests that both in the flow reactor and in chambers, SOA chemical composition at low OH exposure is governed primarily by gas-phase OH oxidation of the precursors rather than heterogeneous oxidation of the condensed particles. In general, SOA yields measured in the flow reactor are lower than measured in chambers for the range of equivalent OH exposures that can be measured in both the flow reactor and chambers. The influence of sulfate seed particles on isoprene SOA yield measurements was examined in the flow reactor. The studies show that seed particles increase the yield of SOA produced in flow reactors by a factor of 3 to 5 and may also account in part for higher SOA yields obtained in the chambers, where seed particles are routinely used.« less

  20. Enhanced electrical, optical and chemical properties of graphene oxide through a novel phase transformation

    E-Print Network [OSTI]

    Kumar, Priyank Vijaya

    2015-01-01

    Graphene oxide (GO) is a versatile, solution-processable candidate material for next-generation, large-area, ultrathin electronics, optoelectronics, energy conversion and storage technologies. GO is an atom-thick sheet of ...

  1. Quantum Chemical Study of Arsenic (III, V) Adsorption on Mn-Oxides

    E-Print Network [OSTI]

    Sparks, Donald L.

    sites under simulated acidic pH conditions. Therefore, we propose that As(V) adsorption inhibits As(III) oxidation by blocking adsorption sites. Under simulated acidic pH conditions, Mn(IV) sites exhibited

  2. Dresden Unit 2 hydrogen water chemistry: Chemical surveillance, oxide-film characterization, and recontamination during Cycle 10: Final report

    SciTech Connect (OSTI)

    Ruiz, C.P.; Peterson, J.P.; Robinson, R.N.; Sundberg, L.L.

    1989-03-01

    This document provides an Executive Summary of work performed under Project RP1930-7, BWR Hydrogen Water Chemistry - Chemical Surveillance. It describes the work performed to monitor chemical and radiological performance at Commonwealth Edison's Dresden Nuclear Power Station Unit 2 during Cycle 10, its second full fuel cycle on Hydrogen Water Chemistry. It includes the results of water chemistry measurements, shutdown gamma scan/dose rate measurements, and the results of stainless steel oxide film characterization. This experience at Dresden-2 continues to demonstrate that a plant can operate on Hydrogen Water Chemistry with only minor impact on plant parameters, compared with the beneficial effect on intergranular stress corrosion cracking (IGSCC) mitigation of sensitized stainless steel components. 4 figs., 2 tabs.

  3. Standard test methods for chemical, mass spectrometric, and spectrochemical analysis of nuclear-grade aluminum oxide and aluminum oxide-boron carbide composite pellets

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    1994-01-01

    1.1 These test methods cover procedures for the chemical, mass spectrometric, and spectrochemical analysis of nuclear-grade aluminum oxide and aluminum oxide-boron carbide composite pellets to determine compliance with specifications. 1.2 The analytical procedures appear in the following order: Sections Boron by Titrimetry 7 to 13 Separation of Boron for Mass Spectrometry 14 to 19 Isotopic Composition by Mass Spectrometry 20 to 23 Separation of Halides by Pyrohydrolysis 24 to 27 Fluoride by Ion-Selective Electrode 28 to 30 Chloride, Bromide, and Iodide by Amperometric Microtitrimetry 31 to 33 Trace Elements by Emission Spectroscopy 34 to 46 1.3 The values stated in SI units are to be regarded as the standard. 1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use. (F...

  4. Methane and methanol oxidation in supercritical water: Chemical kinetics and hydrothermal flame studies

    SciTech Connect (OSTI)

    Steeper, R.R.

    1996-01-01

    Supercritical water oxidation (SCWO) is an emerging technology for the treatment of wastes in the presence of a large concentration of water at conditions above water`s thermodynamic critical point. A high-pressure, optically accessible reaction cell was constructed to investigate the oxidation of methane and methanol in this environment. Experiments were conducted to examine both flame and non-flame oxidation regimes. Optical access enabled the use of normal and shadowgraphy video systems for visualization, and Raman spectroscopy for in situ measurement of species concentrations. Flame experiments were performed by steadily injecting pure oxygen into supercritical mixtures of water and methane or methanol at 270 bar and at temperatures from 390 to 510{degrees}C. The experiments mapped conditions leading to the spontaneous ignition of diffusion flames in supercritical water. Above 470{degrees}C, flames spontaneously ignite in mixtures containing only 6 mole% methane or methanol. This data is relevant to the design and operation of commercial SCWO processes that may be susceptible to inadvertent flame formation. Non-flame oxidation kinetics experiments measured rates of methane oxidation in supercritical water at 270 bar and at temperatures from 390 to 442{degrees}C. The initial methane concentration was nominally 0.15 gmol/L, a level representative of commercial SCWO processes. The observed methane concentration histories were fit to a one-step reaction rate expression indicating a reaction order close to two for methane and zero for oxygen. Experiments were also conducted with varying water concentrations (0 to 8 gmol/L) while temperature and initial reactant concentrations were held constant. The rate of methane oxidation rises steadily with water concentration up to about 5 gmol/L and then abruptly falls off at higher concentrations.

  5. A study of the tropospheric oxidation of volatile organic compounds using chemical ionization mass spectrometry

    E-Print Network [OSTI]

    Broekhuizen, Keith Edward, 1974-

    2002-01-01

    The mechanisms and kinetics of reactions important to the troposphere have been investigated using a high pressure, turbulent, discharge-flow technique coupled to a chemical ionization mass spectrometer. The ability to ...

  6. The aging of organic aerosol in the atmosphere : chemical transformations by heterogeneous oxidation

    E-Print Network [OSTI]

    Kessler, Sean Herbert

    2013-01-01

    The immense chemical complexity of atmospheric organic particulate matter ("aerosol") has left the general field of condensed-phase atmospheric organic chemistry relatively under-developed when compared with either gas-phase ...

  7. Chemical Sinks of Organic Aerosol: Kinetics and Products of the Heterogeneous Oxidation of Erythritol and Levoglucosan

    E-Print Network [OSTI]

    Kessler, Sean Herbert

    The heterogeneous oxidation of pure erythritol (C[subscript 4]H[subscript 10]O[subscript 4]) and levoglucosan (C[subscript 6]H[subscript 10]O[subscript 5]) particles was studied in order to evaluate the effects of atmospheric ...

  8. Reversal of the Oxidation Cycle in Saccharomyces cerevisiae for Production of Fuels and Chemicals

    E-Print Network [OSTI]

    Zhao, Huimin

    to the synthesis of n-butanol, medium-chain fatty acids (MCFAs), and medium-chain fatty acid ethyl esters (MCFAEEs to produce advanced biofuels, such as n-butanol, long-chain alcohols, fatty acid ethyl esters (FAEEs in S. cerevisiae. KEYWORDS: -oxidation, synthetic biology, advanced biofuels, fatty acid, yeast

  9. Origin of deep subgap states in amorphous indium gallium zinc oxide: Chemically disordered coordination of oxygen

    SciTech Connect (OSTI)

    Sallis, S.; Williams, D. S.; Butler, K. T.; Walsh, A.; Quackenbush, N. F.; Junda, M.; Podraza, N. J.; Fischer, D. A.; Woicik, J. C.; White, B. E.; Piper, L. F. J.

    2014-06-09

    The origin of the deep subgap states in amorphous indium gallium zinc oxide (a-IGZO), whether intrinsic to the amorphous structure or not, has serious implications for the development of p-type transparent amorphous oxide semiconductors. We report that the deep subgap feature in a-IGZO originates from local variations in the oxygen coordination and not from oxygen vacancies. This is shown by the positive correlation between oxygen composition and subgap intensity as observed with X-ray photoelectron spectroscopy. We also demonstrate that the subgap feature is not intrinsic to the amorphous phase because the deep subgap feature can be removed by low-temperature annealing in a reducing environment. Atomistic calculations of a-IGZO reveal that the subgap state originates from certain oxygen environments associated with the disorder. Specifically, the subgap states originate from oxygen environments with a lower coordination number and/or a larger metal-oxygen separation.

  10. Treatment of M-area mixed wastes at the Savannah River Site

    SciTech Connect (OSTI)

    Not Available

    1994-06-01

    The Department of Energy has prepared this environmental assessment, DOE/EA-0918, to assess the potential environmental impacts of the treatment of mixed wastes currently stored in the M-Area at the Savannah River Site, near Aiken, South Carolina. DOE is proposing to treat and stabilize approximately 700,000 gallons of mixed waste currently stored in the Interim Treatment/Storage Facility (IT/SF) and Mixed Waste Storage Shed (MWSS). This waste material is proposed to be stabilized using a vitrification process and temporarily stored until final disposal is available by the year 2005. This document has been prepared to assess the potential environmental impacts attributable to the treatment and stabilization of M-area mixed wastes, the closure of the interim storage area, and storage of the vitrified waste until disposal in onsite RCRA vaults. Based on the analyses in the environmental assessment, the Department of Energy has determined that the proposed action is not a major Federal action significantly affecting the quality of the human environment within the meaning of the National Environmental Policy Act (NEPA) of 1969. Therefore, the preparation of an environmental impact statement is not required, and the Department of Energy is issuing this finding of no significant impact.

  11. Chemical bath method to grow precipitated nanorods of iridium oxide on alumina membranes

    E-Print Network [OSTI]

    Chiao, Jung-Chih

    and chemical stability, such as ZnO, OsO2, RuO2, TiO2 and IrO2 have been used as materials for durableO2 on high-density carbon nanotubes (CNTs) to form IrO2/CNT nanocomposites. Although the growth

  12. Chemical changes in carbon Nanotube-Nickel/Nickel Oxide Core/Shell nanoparticle heterostructures treated at high temperatures

    SciTech Connect (OSTI)

    Chopra, Nitin; McWhinney, Hylton G.; Shi Wenwu

    2011-06-15

    Heterostructures composed of carbon nanotube (CNT) coated with Ni/NiO core/shell nanoparticles (denoted as CNC heterostructures) were synthesized in a wet-chemistry and single-step synthesis route involving direct nucleation of nanoparticles on CNT surface. Two different aspects of CNC heterostructures were studied here. First, it was observed that the nanoparticle coatings were more uniform on the as-produced and non-purified CNTs compared to purified (or acid treated) CNTs. These heterostructures were characterized using electron microscopy, Raman spectroscopy, and energy dispersive spectroscopy. Second, thermal stability of CNC heterostructures was studied by annealing them in N{sub 2}-rich (O{sub 2}-lean) environment between 125 and 750 deg. C for 1 h. A detailed X-ray photoelectron spectroscopy and Raman spectroscopy analysis was performed to evaluate the effects of annealing temperatures on chemical composition, phases, and stability of the heterostructures. It was observed that the CNTs present in the heterostructures completely decomposed and core Ni nanoparticle oxidized significantly between 600 and 750 deg. C. - Research Highlights: {yields} Heterostructures composed of CNTs coated with Ni/NiO core/shell nanoparticles. {yields} Poor nanoparticle coverage on purified CNT surface compared to non-purified CNTs. {yields} CNTs in heterostructures decompose between 600 and 750 deg. C in N{sub 2}-rich atmosphere. {yields} Metallic species in heterostructures were oxidized at higher temperatures.

  13. Electronic Structure, Oxidation State of Sn, and Chemical Stability of Photovoltaic Perovskite Variant Cs2SnI6

    E-Print Network [OSTI]

    Xiao, Zewen; Zhang, Xiao; Zhou, Yuanyuan; Hosono, Hideo; Kamiya, Toshio

    2015-01-01

    Cs2SnI6, a variant of perovskite CsSnI3, is expected for a photovoltaic material. Based on a simple ionic model, it is expected that Cs2SnI6 is composed of Cs+, I-, and Sn4+ ions and that the band gap is primarily made of occupied I- 5p6 valence band maximum (VBM) and unoccupied Sn4+ 5s conduction band minimum (CBM) similar to SnO2. In this work, we performed density functional theory (DFT) calculations and revealed that the real charge state of the Sn ion in this compound is +2 similar to CsSnI3. This is due to strong covalent nature between the I ion and the Sn ion, the VBM consists of I 5p - I 5p antibonding states, and the CBM of I 5p - Sn 5s antibonding states. The +2 oxidation state of Sn is realized by the apparent charge state of I-2/3, because the I 5p - Sn 5s antibonding states form the unoccupied CBM and apparently 1/18 of the I 5p orbitals are unoccupied. These results are further supported by comparing chemical bonding analyses with those of related compounds. The chemical stability of the Cs2SnI...

  14. Compliant alkali silicate sealing glass for solid oxide fuel cell applications: thermal cycle stability and chemical compatibility

    SciTech Connect (OSTI)

    Chou, Y. S.; Thomsen, Edwin C.; Williams, Riley T.; Choi, Jung-Pyung; Canfield, Nathan L.; Bonnett, Jeff F.; Stevenson, Jeffry W.; Shyam, Amit; Lara-Curzio, E.

    2011-03-01

    An alkali silicate glass (SCN-1) is currently being evaluated as a candidate sealing glass for solid oxide fuel (SOFC) applications. The glass containing ~17 mole% alkalis (K2O and Na2O) remains vitreous and compliant during SOFC operation, unlike conventional SOFC sealing glasses, which experience substantial devitrification after the sealing process. The non-crystallizing compliant sealing glass has lower glass transition and softening temperatures since the microstructure remains glassy without significant crystallite formation, and hence can relieve or reduce residual stresses and also has the potential for crack healing. Sealing approaches based on compliant glass will also need to satisfy all the mechanical, thermal, chemical, physical, and electrical requirements for SOFC applications, not only in bulk properties but also at sealing interfaces. In this first of a series of papers we will report the thermal cycle stability of the glass when sealed between two SOFC components, i.e., a NiO/YSZ anode supported YSZ bilayer and a coated ferritic stainless steel interconnect material. High temperature leak rates were monitored versus thermal cycles between 700-850oC using back pressures ranging from 0.2 psi to 1.0 psi. Isothermal stability was also evaluated in a dual environment consisting of flowing dilute H2 fuel versus ambient air. In addition, chemical compatibility at the alumina and YSZ interfaces was examined with scanning electron microscopy and energy dispersive spectroscopy. The results shed new light on the topic of SOFC glass seal development.

  15. Characterization of Chemical Speciation in Ultra Thin Uranium Oxide Films by Neutron Reflectometry

    SciTech Connect (OSTI)

    Wang, Peng

    2012-06-20

    Motivation for this project is due to more than 17 kg of HEU and 400 g of Pu have been interdicted through an international effort to control nuclear smuggling. Nuclear forensics - Detection and analysis of nuclear materials recovered from either the capture of unused materials or from the radioactive debris following a nuclear explosion or activities, which can contribute significantly for national security. Develop new nuclear forensic methods can be applied to: (a) Environmental swipes, (b) Small particulates, and (c) Thin films. Conclusions of the project are: (1) A unique approach: Neutron Reflectometry + Surface Enhanced Raman Spectroscopy; and (2) Detection of chemical speciation with {angstrom}-level resolution.

  16. Lecture Session (LeS): E.1 In-situ chemical oxidation-1 ENA OF HETEROCYCLIC HYDROCARBONS USING HYDROGEN PEROXIDE AND

    E-Print Network [OSTI]

    Cirpka, Olaf Arie

    , In situ Biological Degradation, Heterocyclic Hydrocarbons, PAH, Field Trial, Groundwater Circulation WellsLecture Session (LeS): E.1 In-situ chemical oxidation-1 ENA OF HETEROCYCLIC HYDROCARBONS USING (GCW), Hydrogen Peroxide Introduction Heterocyclic hydrocarbons (NSO-HET) containing nitrogen (N

  17. In situ metal-organic chemical vapor deposition atomic-layer deposition of aluminum oxide on GaAs using trimethyaluminum

    E-Print Network [OSTI]

    In situ metal-organic chemical vapor deposition atomic-layer deposition of aluminum oxide on Ga 26 June 2008; published online 21 July 2008 In situ atomic-layer deposition ALD of Al2O3 on p­4 Recently, many ex situ methods such as atomic-layer deposition ALD of high-k on GaAs have achieved success

  18. Atmospheric pressure chemical vapor deposition of transparent conducting films of fluorine doped zinc oxide and their application

    E-Print Network [OSTI]

    crystal flat panel displays, energy efficient windows, gas sensors, surface acoustic wave devices loss or diffusion, which can lead to degra- dation in solar cell efficiency. Zinc oxide is more stable conducting oxides. This suggests zinc oxide may lead to higher solar cell efficiency than tin oxide

  19. Methyl Formate Oxidation: Speciation Data, Laminar Burning Velocities, Ignition Delay Times and a Validated Chemical Kinetic Model

    SciTech Connect (OSTI)

    Dooley, S.; Burke, M. P.; Chaos, M.; Stein, Y.; Dryer, F. L.; Zhukov, V. P.; Finch, O.; Simmie, J. M.; Curran, H. J.

    2010-07-16

    The oxidation of methyl formate (CH{sub 3}OCHO) has been studied in three experimental environments over a range of applied combustion relevant conditions: 1. A variable-pressure flow reactor has been used to quantify reactant, major intermediate and product species as a function of residence time at 3 atm and 0.5% fuel concentration for oxygen/fuel stoichiometries of 0.5, 1.0, and 1.5 at 900 K, and for pyrolysis at 975 K. 2. Shock tube ignition delays have been determined for CH{sub 3}OCHO/O{sub 2}/Ar mixtures at pressures of ? 2.7, 5.4, and 9.2 atm and temperatures of 1275–1935 K for mixture compositions of 0.5% fuel (at equivalence ratios of 1.0, 2.0, and 0.5) and 2.5% fuel (at an equivalence ratio of 1.0). 3. Laminar burning velocities of outwardly propagating spherical CH{sub 3}OCHO/air flames have been determined for stoichiometries ranging from 0.8–1.6, at atmospheric pressure using a pressure-release-type high-pressure chamber. A detailed chemical kinetic model has been constructed, validated against, and used to interpret these experimental data. The kinetic model shows that methyl formate oxidation proceeds through concerted elimination reactions, principally forming methanol and carbon monoxide as well as through bimolecular hydrogen abstraction reactions. The relative importance of elimination versus abstraction was found to depend on the particular environment. In general, methyl formate is consumed exclusively through molecular decomposition in shock tube environments, while at flow reactor and freely propagating premixed flame conditions, there is significant competition between hydrogen abstraction and concerted elimination channels. It is suspected that in diffusion flame configurations the elimination channels contribute more significantly than in premixed environments.

  20. Unifying Chemical and Physical Principles for Oxide Superconductivity Based on an Anionic Charge Order Model

    SciTech Connect (OSTI)

    Oesterreicher, H.

    2001-05-01

    Subperoxidic O{sub 2}{sup 3-} charge ordering presents a satisfying basis for a quantitative, conceptually realistic, and unifying understanding of cuprate superconductors. The activity of O{sup -} manifests itself in a variety of ways including a universal T{sub c} scaling with O{sup -} per total O, or more generally, in the subperoxide radical concentration. Also, a characteristic crystal chemistry of O{sup -} placement is indicated. As an example, trends to preferential O{sup -} occupation of the apical sites are correlated with c axis and T{sub c} decreases providing a new crystallographic interpretation of the overdoping question. Generally, subperoxides can be created on overoxidation or through various modes of self doping through lattice pressure-related factors. Accordingly, the role of peranion formation is seen as a most general chemical principle for ameliorating stacking mismatch through electronic liquefaction under internal stress . Cases are discussed (e.g., YBa{sub 2}Cu{sub 3}O{sub 6.5}) where the tension on cooling can result in stratified self-doping steps. A variety of experiments indicating charge order properties, such as stripes and slow charge propagation, are interpreted on the anionic model. Subperoxidic pair formation and charge ordering energetics are discussed. Concepts are further generalized for other cases (e.g., carbides or nitrides) of anionic metallicity and superconductivity. Common aspects are mobile, paired charge orders of radicals coupled through bond polarizations.

  1. Microstructural and chemical evolution near anode triple phase boundary in Ni/YSZ solid oxide fuel cells

    SciTech Connect (OSTI)

    Chen, Yun; Chen, Song; Hackett, Gregory; Finklea, Harry; Song, Xueyan; Gerdes, Kirk

    2011-12-12

    In this study, we report the micro-structural and chemical evolution of anode grain boundaries and triple phase boundary (TPB) junctions of Ni/YSZ anode supported solid oxide fuel cells. A NiO phase was found to develop along the Ni/YSZ interfaces extending to TPBs in the operated cells. The thickness of the NiO ribbon phase remains constant at ~ 5 nm in hydrogen for operating durations up to 540 h. When operating on synthesis gas, an increase in interphase thickness was observed from ~ 11 nm for 24 h of operation to ~ 51 nm for 550 h of operation. YSZ phases are observed to be stable in H{sub 2} over 540 h of operation. However, for the cell operated in syngas for 550 h, a 5–10 nm tetragonal YSZ (t-YSZ) interfacial layer was identified that originated from the Ni/YSZ interfaces. Yttrium species seem to segregate to the interfaces during operation, leading to the formation of t-YSZ in the Y-depleted regions.

  2. Solar Energy Materials & Solar Cells 91 (2007) 924930 Plasma-enhanced chemical vapor deposition of zinc oxide at

    E-Print Network [OSTI]

    Hicks, Robert F.

    2007-01-01

    - enhanced chemical vapor deposition (PECVD) [4], ex- panding thermal plasma [5], and vacuum arc depositionSolar Energy Materials & Solar Cells 91 (2007) 924­930 Plasma-enhanced chemical vapor deposition 2007; accepted 14 February 2007 Available online 6 April 2007 Abstract The plasma-enhanced chemical

  3. Effect of oxidant concentration, exposure time, and seed particles on secondary organic aerosol chemical composition and yield

    E-Print Network [OSTI]

    Lambe, A. T.

    We performed a systematic intercomparison study of the chemistry and yields of secondary organic aerosol (SOA) generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous ...

  4. Application of high-resolution time-of-flight chemical ionization mass spectrometry measurements to estimate volatility distributions of ?-pinene and naphthalene oxidation products

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

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2015-01-05

    Recent developments in high-resolution time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made it possible to directly detect atmospheric organic compounds in real time with high sensitivity and with little or no fragmentation, including low-volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, using ions identified by high-resolution spectra from an HR-ToF-CIMS with acetate reagent ion chemistry, we develop an algorithm to estimate the vapor pressures of measured organic acids. The algorithm uses identified ion formulas and calculated double bond equivalencies, information unavailable in quadrupole CIMS technology, as constraints for the number of possible oxygen-containing functionalmore »groups. The algorithm is tested with acetate chemical ionization mass spectrometry (acetate-CIMS) spectra of O3 and OH oxidation products of ?-pinene and naphthalene formed in a flow reactor with integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec s cm?3, corresponding to approximately 1.0 to 7.5 days of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. The predicted condensed-phase secondary organic aerosol (SOA) average acid yields and O/C and H/C ratios agree within uncertainties with previous chamber and flow reactor measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  5. Devices and chemical sensing applications of metal oxide nanowires Guozhen Shen,* Po-Chiang Chen, Koungmin Ryu and Chongwu Zhou*

    E-Print Network [OSTI]

    Zhou, Chongwu

    . Finally, we will conclude this review with some perspectives and outlook on the future developments, nanogenerators, solar cells and photo- catalysts, and field nanoemitters. In the third part, we will discuss with some perspectives and outlook on the future developments in the metal oxide nanowire research area. 2

  6. Determination of transport parameters of coincident inorganic and organic plumes in the Savannah River Plant M-Area, Aiken, South Carolina 

    E-Print Network [OSTI]

    Cauffman, Toya Lyn

    1987-01-01

    River Plant (SRP) M-Area house the facilities for fabricating fuel and target elements to be irradiated in SRP reactors. Waste effluents from M-Area operations contain metal degreasers, nitric acid, sodium hydroxide, phosphoric acid and metals...-Area are (1) the A-14 sewer outfall, which drains to a small tributary of the Time Branch, (2) the M-Area settling basin, (3) the seepage area and Lost Lake, which receive overflow from the basin, and (4) the two main sewer lines which transport waste water...

  7. Reliable wet-chemical cleaning of natively oxidized high-efficiency Cu(In,Ga)Se{sub 2} thin-film solar cell absorbers

    SciTech Connect (OSTI)

    Lehmann, Jascha; Lehmann, Sebastian; Lauermann, Iver; Rissom, Thorsten; Kaufmann, Christian A.; Lux-Steiner, Martha Ch.; Bär, Marcus; Sadewasser, Sascha

    2014-12-21

    Currently, Cu-containing chalcopyrite-based solar cells provide the highest conversion efficiencies among all thin-film photovoltaic (PV) technologies. They have reached efficiency values above 20%, the same performance level as multi-crystalline silicon-wafer technology that dominates the commercial PV market. Chalcopyrite thin-film heterostructures consist of a layer stack with a variety of interfaces between different materials. It is the chalcopyrite/buffer region (forming the p-n junction), which is of crucial importance and therefore frequently investigated using surface and interface science tools, such as photoelectron spectroscopy and scanning probe microscopy. To ensure comparability and validity of the results, a general preparation guide for “realistic” surfaces of polycrystalline chalcopyrite thin films is highly desirable. We present results on wet-chemical cleaning procedures of polycrystalline Cu(In{sub 1-x}Ga{sub x})Se{sub 2} thin films with an average x?=?[Ga]/([In]?+?[Ga])?=?0.29, which were exposed to ambient conditions for different times. The hence natively oxidized sample surfaces were etched in KCN- or NH{sub 3}-based aqueous solutions. By x-ray photoelectron spectroscopy, we find that the KCN treatment results in a chemical surface structure which is – apart from a slight change in surface composition – identical to a pristine as-received sample surface. Additionally, we discover a different oxidation behavior of In and Ga, in agreement with thermodynamic reference data, and we find indications for the segregation and removal of copper selenide surface phases from the polycrystalline material.

  8. Diphenylarsinic acid, a chemical warfare-related neurotoxicant, promotes liver carcinogenesis via activation of aryl hydrocarbon receptor signaling and consequent induction of oxidative DAN damage in rats

    SciTech Connect (OSTI)

    Wei, Min; Yamada, Takanori; Yamano, Shotaro; Kato, Minoru; Kakehashi, Anna; Fujioka, Masaki; Tago, Yoshiyuki; Kitano, Mistuaki; Wanibuchi, Hideki, E-mail: wani@med.osaka-cu.ac.jp

    2013-11-15

    Diphenylarsinic acid (DPAA), a chemical warfare-related neurotoxic organic arsenical, is present in the groundwater and soil in some regions of Japan due to illegal dumping after World War II. Inorganic arsenic is carcinogenic in humans and its organic arsenic metabolites are carcinogenic in animal studies, raising serious concerns about the carcinogenicity of DPAA. However, the carcinogenic potential of DPAA has not yet been evaluated. In the present study we found that DPAA significantly enhanced the development of diethylnitrosamine-induced preneoplastic lesions in the liver in a medium-term rat liver carcinogenesis assay. Evaluation of the expression of cytochrome P450 (CYP) enzymes in the liver revealed that DPAA induced the expression of CYP1B1, but not any other CYP1, CYP2, or CYP3 enzymes, suggesting that CYP1B1 might be the enzyme responsible for the metabolic activation of DPAA. We also found increased oxidative DNA damage, possibly due to elevated CYP1B1 expression. Induction of CYP1B1 has generally been linked with the activation of AhR, and we found that DPAA activates the aryl hydrocarbon receptor (AhR). Importantly, the promotion effect of DPAA was observed only at a dose that activated the AhR, suggesting that activation of AhR and consequent induction of AhR target genes and oxidative DNA damage plays a vital role in the promotion effects of DPAA. The present study provides, for the first time, evidence regarding the carcinogenicity of DPAA and indicates the necessity of comprehensive evaluation of its carcinogenic potential using long-term carcinogenicity studies. - Highlights: • DPAA, an environmental neurotoxicant, promotes liver carcinogenesis in rats. • DPAA is an activator of AhR signaling pathway. • DPAA promoted oxidative DNA damage in rat livers. • AhR target gene CYP 1B1 might be involved in the metabolism of DPAA.

  9. Chemistry of ?-pinene and naphthalene oxidation products generated in a Potential Aerosol Mass (PAM) chamber as measured by acetate chemical ionization mass spectrometry

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

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2014-07-01

    Recent developments in high resolution, time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made possible the direct detection of atmospheric organic compounds in real-time with high sensitivity and with little or no fragmentation, including low volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, for the first time, we examine gas-phase O3 and OH oxidation products of ?-pinene and naphthalene formed in the PAM flow reactor with an HR-ToF-CIMS using acetate reagent ion chemistry. Integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec cm?3 s, corresponding to approximately 1.0 to 7.5 daysmore »of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. We present a method that estimates vapor pressures of organic molecules using the measured O/C ratio, H/C ratio, and carbon number for each compound detected by the CIMS. The predicted condensed-phase SOA average acid yields and O/C and H/C ratios agree within uncertainties with previous AMS measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  10. Operando NMR and XRD study of chemically synthesized LiCx oxidation in a dry room environment

    SciTech Connect (OSTI)

    Sacci, Robert L [ORNL; Gill, Lance W [ORNL; Hagaman, Edward {Ed} W [ORNL; Dudney, Nancy J [ORNL

    2015-01-01

    We test the stability of pre-lithiated graphite anodes for Li-ion batteries in a dry room battery processing room. The reaction between LiCx and laboratory air was followed using operando NMR and x-ray diffraction as these methods are sensitive to change in Li stoichiometry in graphite. There is minimal reactivity between LiC6 and N2, CO2 or O2; however, LiC6 reacts with moisture to form lithium (hydr)oxide. The reaction rate follows zero-order kinetics with respects to intercalated lithium suggesting that lithium transport through the graphite is fast. The reaction mechanism occurs by sequential formation of higher stages LiC12, then LiC18, and then LiC24 as the hydrolysis proceeds to the formation of LixOHy and graphite end products. Slowing down the formation rate of the LixOHy passivation layer stabilizes of the higher stages.

  11. M-Area and Metallurgical Laboratory Hazardous Waste Management Facilities groundwater monitoring and corrective-action report (U). Third and fourth quarters 1996, Vol. I

    SciTech Connect (OSTI)

    NONE

    1997-03-01

    This report describes the groundwater monitoring and corrective-action program at the M-Area Hazardous Waste Management Facility (HWMF) and the Metallurgical Laboratory (Met Lab) HWMF at the Savannah River Site (SRS) during 1996.

  12. Influence of the chemical surface structure on the nanoscale friction in plasma nitrided and post-oxidized ferrous alloy

    SciTech Connect (OSTI)

    Freislebem, Márcia; Menezes, Caren M.; Cemin, Felipe; Costi, Fernanda B.; Ferreira, Patrícia A.; Aguzzoli, César; Baumvol, Israel J. R.; Alvarez, Fernando; Figueroa, Carlos A.

    2014-09-15

    Friction is a ubiquitous phenomenon in everyday activities spanning from vehicles where efficient brakes are mandatory up to mechanical devices where its minimum effects are pursued for energy efficiency issues. Recently, theoretical models succeed correlating the friction behavior with energy transference via phonons between sliding surfaces. Therefore, considering that the energy losses by friction are prompted through phonons, the chemical surface structure between sliding surfaces is very important to determine the friction phenomenon. In this work, we address the issue of friction between a conical diamond tip sliding on different functionalized flat steel surfaces by focusing the influence of the chemical bonds in the outermost layers on the sliding resistance. This geometry allows probing the coupling of the sharp tip with terminator species on the top and underneath material surface at in-depth friction measurements from 20 to 200?nm. Experimentally, the friction coefficient decreases when nitrogen atoms are substituted for oxygen in the iron network. This effect is interpreted as due to energy losses through phonons whilst lower vibrational frequency excitation modes imply lower friction coefficients and a more accurate adjustment is obtained when a theoretical model with longitudinal adsorbate vibration is used.

  13. X-ray photoelectron spectroscopy study on the chemistry involved in tin oxide film growth during chemical vapor deposition processes

    SciTech Connect (OSTI)

    Mannie, Gilbere J. A.; Gerritsen, Gijsbert; Abbenhuis, Hendrikus C. L.; Deelen, Joop van; Niemantsverdriet, J. W.; Thuene, Peter C. [Materials innovation institute (M2i), P. O. Box 5008, 2600 GA Delft (Netherlands) and Physical Chemistry of Surfaces, Eindhoven University of Technology, P. O. Box 513, 5600 MB Eindhoven (Netherlands); Hybrid Catalysis BV, P. O. Box 513, 5600 MB Eindhoven (Netherlands); TNO Science and Industry, P. O. Box 6235, 5600 HE Eindhoven (Netherlands); Physical Chemistry of Surfaces, Eindhoven University of Technology, P. O. Box 513, 5600 MB Eindhoven (Netherlands)

    2013-01-15

    The chemistry of atmospheric pressure chemical vapor deposition (APCVD) processes is believed to be complex, and detailed reports on reaction mechanisms are scarce. Here, the authors investigated the reaction mechanism of monobutyl tinchloride (MBTC) and water during SnO{sub 2} thin film growth using x-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). XPS results indicate an acid-base hydrolysis reaction mechanism, which is tested with multilayer experiments, demonstrating self-terminating growth. In-house developed TEM wafers are used to visualize nucleation during these multilayer experiments, and results are compared with TEM results of APCVD samples. Results show almost identical nucleation behavior implying that their growth mechanism is identical. Our experiments suggest that in APCVD, when using MBTC and water, SnO{sub 2} film growth occurs via a heterolytic bond splitting of the Sn-Cl bonds without the need to invoke gas-phase radical or coordination chemistry of the MBTC precursor.

  14. Operando NMR and XRD study of chemically synthesized LiCx oxidation in a dry room environment

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

    Sacci, Robert L.; Gill, Lance W.; Hagaman, Edward W.; Dudney, Nancy J.

    2015-08-01

    We test the stability of pre-lithiated graphite anodes for Li-ion batteries in a dry room battery processing room. The reaction between LiCx and laboratory air was followed using operando NMR and x-ray diffraction as these methods are sensitive to change in Li stoichiometry in graphite. There is minimal reactivity between LiC6 and N2, CO2 or O2; however, LiC6 reacts with moisture to form lithium (hydr)oxide. The reaction rate follows zero-order kinetics with respects to intercalated lithium suggesting that lithium transport through the graphite is fast. The reaction mechanism occurs by sequential formation of higher stages LiC12, then LiC18, and thenmore »LiC24 as the hydrolysis proceeds to the formation of LixOHy and graphite end products. Slowing down the formation rate of the LixOHy passivation layer stabilizes of the higher stages.« less

  15. Comprehensive chemical kinetic modeling of the oxidation of C8 and larger n-alkanes and 2-methylalkanes

    SciTech Connect (OSTI)

    Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M; Togbe, C; Dagaut, P; Wang, H; Oehlschlaeger, M; NIemann, U; Seshadri, K; Veloo, P S; Ji, C; Egolfopoulos, F; Lu, T

    2011-03-16

    Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed and reduced chemical kinetic mechanism for singly methylated iso-alkanes (i.e., 2-methylalkanes) ranging from C{sub 8} to C{sub 20}. The mechanism also includes an updated version of our previously published C{sub 8} to C{sub 16} n-alkanes model. The complete detailed mechanism contains approximately 7,200 species 31,400 reactions. The proposed model is validated against new experimental data from a variety of fundamental combustion devices including premixed and nonpremixed flames, perfectly stirred reactors and shock tubes. This new model is used to show how the presence of a methyl branch affects important combustion properties such as laminar flame propagation, ignition, and species formation.

  16. Wet chemical synthesis of quantum confined nanostructured tin oxide thin films by successive ionic layer adsorption and reaction technique

    SciTech Connect (OSTI)

    Murali, K.V., E-mail: kvmuralikv@gmail.com [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Nehru Arts and Science College, Kanhangad, Kerala 671314 (India); Ragina, A.J. [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Nehru Arts and Science College, Kanhangad, Kerala 671314 (India); Preetha, K.C. [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Sree Narayana College, Kannur, Kerala 670007 (India); Deepa, K.; Remadevi, T.L. [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Pazhassi Raja N.S.S. College, Mattannur, Kerala 670702 (India)

    2013-09-01

    Graphical abstract: - Highlights: • Quantum confined SnO{sub 2} thin films were synthesized at 80 °C by SILAR technique. • Film formation mechanism is discussed. • Films with snow like crystallite morphology offer high specific surface area. • The blue-shifted value of band gap confirmed the quantum confinement effect. • Present synthesis has advantages – low cost, low temperature and green friendly. - Abstract: Quantum confined nanostructured SnO{sub 2} thin films were synthesized at 353 K using ammonium chloride (NH{sub 4}Cl) and other chemicals by successive ionic layer adsorption and reaction technique. Film formation mechanism is discussed. Structural, morphological, optical and electrical properties were investigated and compared with the as-grown and annealed films fabricated without NH{sub 4}Cl solution. SnO{sub 2} films were polycrystalline with crystallites of tetragonal structure with grain sizes lie in the 5–8 nm range. Films with snow like crystallite morphology offer high specific surface area. The blue-shifted value of band gap of as-grown films confirmed the quantum confinement effect of grains. Refractive index of the films lies in the 2.1–2.3 range. Films prepared with NH{sub 4}Cl exhibit relatively lower resistivity of the order of 10{sup 0}–10{sup ?1} ? cm. The present synthesis has advantages such as low cost, low temperature and green friendly, which yields small particle size, large surface–volume ratio, and high crystallinity SnO{sub 2} films.

  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...

  18. Influence of oxide impurities on the chemical tuning of the thermoelectric properties of substitution derivatives of RuIn{sub 3}

    SciTech Connect (OSTI)

    Wagner-Reetz, Maik, E-mail: Maik.Wagner@cpfs.mpg.de; Cardoso-Gil, Raul; Schmidt, Marcus; Grin, Yuri, E-mail: Juri.Grin@cpfs.mpg.de

    2014-07-01

    A systematic investigation on tuning the charge carrier concentration by substitution of the Ru position in RuIn{sub 3} is performed. Samples with nominal composition Ru{sub 0.95}T{sub 0.05}In{sub 3} (T=Re, Rh, Ir) were synthesized via liquid–solid-reaction and subsequent spark plasma sintering treatment. The chemical composition was characterized by X-ray, metallographic and microstructure analysis revealing solid solutions in the samples with Rh and Ir, whereas Re cannot be incorporated in RuIn{sub 3}. Minor oxide impurities in the commercially available starting elements, the homogeneity range of RuIn{sub 3} and the redox potentials of the participating elements are the key for interpreting the observed lattice parameters and the corresponding composition. Both, substitutions with Rh or Ir and Re inclusions in RuIn{sub 3} lead independently to a significant decrease of the total thermal conductivity down to approximately one half of the value observed for binary RuIn{sub 3}, prepared with commercially available starting materials. The electrical resistivity was reduced by substitution and the temperature dependence changes from semiconductor-like, for RuIn{sub 3}, to metal-like in the substitution derivatives. At the same time the sign change in the thermopower at high temperatures, characteristic for binary RuIn{sub 3}, is suppressed, attaining only electrons as majority carriers. - Graphical abstract: Microstructure (perpendicular to the pressure axis; polarized light) of polycrystalline Ru{sub 0.95}Rh{sub 0.05}In{sub 3} (a), Ru{sub 0.95}Ir{sub 0.05}In{sub 3} (b) and Ru{sub 0.95}Re{sub 0.05}In{sub 3} (c) samples after SPS treatment. - Highlights: • Substitution solid solutions of RuIn{sub 3} were prepared via liquid–solid-reaction. • Chemistry of oxide impurities is crucial for explanation of experimental results. • Thermodynamic calculations support the observation of In{sub 2}O{sub 3} or ZnO as impurities. • Electrical resistivity is reduced by substitution. • Temperature dependence of resistivity changes from semiconductor- to metal-like.

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

    E-Print Network [OSTI]

    2008-01-01

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

  20. Heterogeneous catalysis and nanoscience are used to promote chemical transformations for energy production. These concepts are important in solid oxide fuel cells (SOFCs) which have the

    E-Print Network [OSTI]

    production. These concepts are important in solid oxide fuel cells (SOFCs) which have the potential in the Solid Oxide Fuel Cell Rio Cavendish Advisor: Peter Crozier October 17, 2012; 10:00 AM; ERC 490 School to provide an efficient and environmentally favorable power generation system. The SOFC is fuel

  1. METAL OXIDE NANOPARTICLES

    SciTech Connect (OSTI)

    FERNANDEZ-GARCIA,M.; RODGRIGUEZ, J.A.

    2007-10-01

    This chapter covers the fundamental science, synthesis, characterization, physicochemical properties and applications of oxide nanomaterials. Explains fundamental aspects that determine the growth and behavior of these systems, briefly examines synthetic procedures using bottom-up and top-down fabrication technologies, discusses the sophisticated experimental techniques and state of the art theory results used to characterize the physico-chemical properties of oxide solids and describe the current knowledge concerning key oxide materials with important technological applications.

  2. Interpretation of Geological Correlation Borings 1, 2, 3 in the A/M Area of the Savannah River Site, South Carolina

    SciTech Connect (OSTI)

    Wyatt, D.E. [Westinghouse Savannah River Company, AIKEN, SC (United States); Cumbest, R.J.; Aadland, R.K.; Syms, F.H.; Stephenson, D.E.; Sherrill, J.C.

    1997-06-01

    The Geophysical Correlation Boring (GCB) Program was organized to provide a comprehensive correlation capability between geological core and advanced borehole geophysical data, surface high resolution reflection seismic information and, when available, borehole geochemical and cone penetrometer data. This report provides results and initial geological interpretations of borings one, two, and three (GCB-1, GCB-2, GCB-3) located within the Upper Three Runs Watershed (A/M Area) of the Savannah River Site.

  3. Chemical reactivities of ambient air samples in three Southern California communities

    E-Print Network [OSTI]

    2015-01-01

    and A.K. Cho. 2012. The chemical biology of naphthoquinonesinvolvement of organic chemicals and oxidative stress. Curr.www.tandfonline.com/loi/uawm20 Chemical reactivities of

  4. Structural, chemical, and electrochemical characteristics of LaSr2Fe2CrO9--based solid oxide fuel cell anodes

    E-Print Network [OSTI]

    Poeppelmeier, Kenneth R.

    -of-the-art solid oxide fuel cell (SOFC) anode is Ni-8-mole% yttria stabilized zirconia (YSZ), which performs very and decreases the efficiency of the SOFC [2]. Ni­YSZ anodes also tend to degrade in fuels containing relatively been reported to provide good SOFC anode performance, providing potential alternatives to Ni

  5. Progress Update: M Area Closure

    ScienceCinema (OSTI)

    Cody, Tom

    2012-06-14

    A progress update of the Recovery Act at work at the Savannah River Site. The celebration of the first area cleanup completion with the help of the Recovery Act.

  6. Comparison of secondary organic aerosol formed with an aerosol flow reactor and environmental reaction chambers: effect of oxidant concentration, exposure time and seed particles on chemical composition and yield

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

    Lambe, A. T.; Chhabra, P. S.; Onasch, T. B.; Brune, W. H.; Hunter, J. F.; Kroll, J. H.; Cummings, M. J.; Brogan, J. F.; Parmar, Y.; Worsnop, D. R.; et al

    2014-12-02

    We performed a systematic intercomparison study of the chemistry and yields of SOA generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous flow reactor and several environmental chambers. In the flow reactor, SOA precursors were oxidized using OH concentrations ranging from 2.0×108 to 2.2×1010 molec cm-3 over exposure times of 100 s. In the environmental chambers, precursors were oxidized using OH concentrations ranging from 2×106 to 2×107 molec cm-3 over exposure times of several hours. The OH concentration in the chamber experiments is close to that found in the atmosphere, butmore »the integrated OH exposure in the flow reactor can simulate atmospheric exposure times of multiple days compared to chamber exposure times of only a day or so. A linear correlation analysis of the mass spectra (m=0.91–0.92, r2=0.93–0.94) and carbon oxidation state (m=1.1, r2=0.58) of SOA produced in the flow reactor and environmental chambers for OH exposures of approximately 1011 molec cm-3 s suggests that the composition of SOA produced in the flow reactor and chambers is the same within experimental accuracy as measured with an aerosol mass spectrometer. This similarity in turn suggests that both in the flow reactor and in chambers, SOA chemical composition at low OH exposure is governed primarily by gas-phase OH oxidation of the precursors, rather than heterogeneous oxidation of the condensed particles. In general, SOA yields measured in the flow reactor are lower than measured in chambers for the range of equivalent OH exposures that can be measured in both the flow reactor and chambers. The influence of sulfate seed particles on isoprene SOA yield measurements was examined in the flow reactor. The studies show that seed particles increase the yield of SOA produced in flow reactors by a factor of 3 to 5 and may also account in part for higher SOA yields obtained in the chambers, where seed particles are routinely used.« less

  7. Chemically induced Parkinson's disease: intermediates in the oxidation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine to the 1-methyl-4-phenyl-pyridinium ion

    SciTech Connect (OSTI)

    Chacon, J.N.; Chedekel, M.R.; Land, E.J.; Truscott, T.G.

    1987-04-29

    Various unstable intermediate oxidation states have been postulated in the metabolic activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine to the 1-methyl-4-phenyl pyridinium ion. We now report the first direct observation of these free radical intermediates by pulse radiolysis and flash photolysis. Studies are described of various reactions of such species, in particular with dopamine whose autoxidation to dopamine quinone is reported to be potentiated by 1-methyl-4-phenyl-1,2,3, 6-tetrahydropyridine.

  8. Laboratory Evaluation of In Situ Chemical Oxidation for Groundwater Remediation, Test Area North, Operable Unit 1-07B, Idaho National Engineering and Environmental Laboratory, Volume Two, Appendices C, D, and E

    SciTech Connect (OSTI)

    Cline, S.R.; Denton, D.L.; Giaquinto, J.M.; McCracken, M.K.; Starr, R.C.

    1999-04-01

    These appendices support the results and discussion of the laboratory work performed to evaluate the feasibility of in situ chemical oxidation for Idaho National Environmental and Engineering Laboratory's (INEEL) Test Area North (TAN) which is contained in ORNL/TM-1371 l/Vol. This volume contains Appendices C-E. Appendix C is a compilation of all recorded data and mathematical calculations made to interpret the data. For the Task 3 and Task 4 work, the spreadsheet column definitions are included immediately before the actual spreadsheet pages and are listed as ''Sample Calculations/Column Definitions'' in the table of contents. Appendix D includes the chronological order in which the experiments were conducted and the final project costs through October 1998. Appendix E is a compilation of the monthly progress reports submitted to INEEL during the course of the project.

  9. Chemical System Decontamination at PWR Power Stations Biblis A and B by Advanced System Decontamination by Oxidizing Chemistry (ASDOC-D) Process Technology - 13081

    SciTech Connect (OSTI)

    Loeb, Andreas; Runge, Hartmut; Stanke, Dieter; Bertholdt, Horst-Otto; Adams, Andreas; Impertro, Michael; Roesch, Josef

    2013-07-01

    For chemical decontamination of PWR primary systems the so called ASDOC-D process has been developed and qualified at the German PWR power station Biblis. In comparison to other chemical decontamination processes ASDOC-D offers a number of advantages: - ASDOC-D does not require separate process equipment but is completely operated and controlled by the nuclear site installations. Feeding of chemical concentrates into the primary system is done by means of the site's dosing systems. Process control is performed by standard site instrumentation and analytics. - ASDOC-D safely prevents any formation and precipitation of insoluble constituents - Since ASDOC-D is operated without external equipment there is no need for installation of such equipment in high radioactive radiation surrounding. The radioactive exposure rate during process implementation and process performance may therefore be neglected in comparison to other chemical decontamination processes. - ASDOC-D does not require auxiliary hose connections which usually bear high leakage risk. The above mentioned technical advantages of ASDOC-D together with its cost-effectiveness gave rise to Biblis Power station to agree on testing ASDOC-D at the volume control system of PWR Biblis unit A. By involving the licensing authorities as well as expert examiners into this test ASDOC-D received the official qualification for primary system decontamination in German PWR. As a main outcome of the achieved results NIS received contracts for full primary system decontamination of both units Biblis A and B (each 1.200 MW) by end of 2012. (authors)

  10. The combustion chemistry of a fuel tracer: Measured flame speeds and ignition delays and a detailed chemical kinetic model for the oxidation of acetone

    SciTech Connect (OSTI)

    Pichon, S.; Black, G.; Simmie, J.M.; Curran, H.J.; Chaumeix, N.; Yahyaoui, M.; Donohue, R.

    2009-02-15

    Acetone ignition delay and stretch-free laminar flame speed measurements have been carried out and a kinetic model has been developed to simulate these and literature data for acetone and for ketene, which was found to be an important intermediate in its oxidation. The mechanism has been based on one originally devised for dimethyl ether and modified through validation of the hydrogen, carbon monoxide and methane sub-mechanisms. Acetone oxidation in argon was studied behind reflected shock waves in the temperature range 1340-1930 K, at 1 atm and at equivalence ratios of 0.5, 1 and 2; it is also shown that the addition of up to 15% acetone to a stoichiometric n-heptane mixture has no effect on the measured ignition delay times. Flame speeds at 298 K and 1 atm of pure acetone in air were measured in a spherical bomb; a maximum flame speed of {proportional_to}35 cm s{sup -1} at {phi}=1.15 is indicated. (author)

  11. Chemical leukoderma

    E-Print Network [OSTI]

    O'Reilly, Kathryn E; Patel, Utpal; Chu, Julie; Patel, Rishi; Machler, Brian C

    2011-01-01

    the first report, to date, of chemical leukoderma that wasreview on biological, chemical and clinical aspects. Pigment4. Briganti S, et al. Chemical and instrumental approaches

  12. 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.

  13. BAR-CODE BASED WEIGHT MEASUREMENT STATION FOR PHYSICAL INVENTORY TAKING OF PLUTONIUM OXIDE CONTAINERS AT THE MINING AND CHEMICAL COMBINE RADIOCHEMICAL REPROCESSING PLANT NEAR KRASNOYARSK, SIBERIA.

    SciTech Connect (OSTI)

    SUDA,S.

    1999-09-20

    This paper describes the technical tasks being implemented to computerize the physical inventory taking (PIT) at the Mining and Chemical Combine (Gorno-Khimichesky Kombinat, GKhK) radiochemical plant under the US/Russian cooperative nuclear material protection, control, and accounting (MPC and A) program. Under the MPC and A program, Lab-to-Lab task agreements with GKhK were negotiated that involved computerized equipment for item verification and confirmatory measurement of the Pu containers. Tasks under Phase I cover the work for demonstrating the plan and procedures for carrying out the comparison of the Pu container identification on the container with the computerized inventory records. In addition to the records validation, the verification procedures include the application of bar codes and bar coded TIDs to the Pu containers. Phase II involves the verification of the Pu content. A plan and procedures are being written for carrying out confirmatory measurements on the Pu containers.

  14. 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.

  15. ZIRCONIUM OXIDE NANOSTRUCTURES PREPARED BY ANODIC OXIDATION

    SciTech Connect (OSTI)

    Dang, Y. Y.; Bhuiyan, M.S.; Paranthaman, M. P.

    2008-01-01

    Zirconium oxide is an advanced ceramic material highly useful for structural and electrical applications because of its high strength, fracture toughness, chemical and thermal stability, and biocompatibility. If highly-ordered porous zirconium oxide membranes can be successfully formed, this will expand its real-world applications, such as further enhancing solid-oxide fuel cell technology. Recent studies have achieved various morphologies of porous zirconium oxide via anodization, but they have yet to create a porous layer where nanoholes are formed in a highly ordered array. In this study, electrochemical methods were used for zirconium oxide synthesis due to its advantages over other coating techniques, and because the thickness and morphology of the ceramic fi lms can be easily tuned by the electrochemical parameters, such as electrolyte solutions and processing conditions, such as pH, voltage, and duration. The effects of additional steps such as pre-annealing and post-annealing were also examined. Results demonstrate the formation of anodic porous zirconium oxide with diverse morphologies, such as sponge-like layers, porous arrays with nanoholes ranging from 40 to 75 nm, and nanotube layers. X-ray powder diffraction analysis indicates a cubic crystallographic structure in the zirconium oxide. It was noted that increased voltage improved the ability of the membrane to stay adhered to the zirconium substrate, whereas lower voltages caused a propensity for the oxide fi lm to fl ake off. Further studies are needed to defi ne the parameters windows that create these morphologies and to investigate other important characteristics such as ionic conductivity.

  16. M. Bahrami ENSC 461 (S 11) Chemical Reactions 1 Chemical Reactions

    E-Print Network [OSTI]

    Bahrami, Majid

    M. Bahrami ENSC 461 (S 11) Chemical Reactions 1 Chemical Reactions When analyzing reacting systemsHm. For example octane is C8H18. Combustion: is a chemical reaction during which a fuel is oxidized and a large.28 #12;M. Bahrami ENSC 461 (S 11) Chemical Reactions 2 Where N is the number of moles and M is the molar

  17. Manganese porphyrin multilayer films assembled on ITO electrodes via zirconium phosphonate chemistry: chemical and electrochemical

    E-Print Network [OSTI]

    chemistry: chemical and electrochemical catalytic oxidation activity So-Hye Cho, SonBinh T. Nguyen of 1.20 V. The electrochemically generated active intermediate exhibited oxidative catalytic activity; styrene epoxidation; supported catalysts; carbamazepine; electrochemical catalytic oxidation. 1

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

    Energy Savers [EERE]

    Ammonia, and Terephthalic Acid, December 2007 ITP Chemicals: Final Report: Evaluation of Alternative Technologies for Ethylene, Caustic-Chlorine, Ethylene Oxide, Ammonia, and...

  19. Catalytic oxidizers and Title V requirements

    SciTech Connect (OSTI)

    Uberoi, M.; Rach, S.E.

    1999-07-01

    Catalytic oxidizers have been used to reduce VOC emissions from various industries including printing, chemical, paint, coatings, etc. A catalytic oxidizer uses a catalyst to reduce the operating temperature for combustion to approximately 600 F, which is substantially lower than thermal oxidation unit. Title V requirements have renewed the debate on the best methods to assure compliance of catalytic oxidizers, with some suggesting the need for continuous emission monitoring equipment. This paper will discuss the various aspects of catalytic oxidation and consider options such as monitoring inlet/outlet temperatures, delta T across the catalyst, periodic laboratory testing of catalyst samples, and preventive maintenance procedures as means of assuring continuous compliance.

  20. Mechanical Properties of Monolayer Graphene Oxide

    E-Print Network [OSTI]

    for high-temperature process- ing,22 in electrical energy storage systems,23,24 and as discussed in several on silicon carbide,9,10 chemical reduction of graphene oxide (G O) in colloidal suspension,11 13 and plasma

  1. Plutonium Oxide Process Capability Work Plan

    SciTech Connect (OSTI)

    Meier, David E.; Tingey, Joel M.

    2014-02-28

    Pacific Northwest National Laboratory (PNNL) has been tasked to develop a Pilot-scale Plutonium-oxide Processing Unit (P3U) providing a flexible capability to produce 200g (Pu basis) samples of plutonium oxide using different chemical processes for use in identifying and validating nuclear forensics signatures associated with plutonium production. Materials produced can also be used as exercise and reference materials.

  2. Aluminum-doped Zinc Oxide Nanoink

    Energy Innovation Portal (Marketing Summaries) [EERE]

    2014-08-15

    Scientists at Berkeley Lab have developed a method for fabricating conductive aluminum-doped zinc oxide (AZO) nanocrystals that provide a lower cost, less toxic, earth-abundant alternative to the widely used transparent conductive oxide (TCO) indium tin oxide while offering comparable optical and electronic properties. TCOs are used in devices such as flat screen displays, photovoltaic cells, photochromic windows, chemical sensors, and biosensors....

  3. Predicting the radiation tolerance of oxides

    SciTech Connect (OSTI)

    Sickafus, K. (Kurt E.); Grimes, R. W. (Robin W.)

    2001-01-01

    We have used atomistic computer simulations and ion beam irradiations to examine radiation damage accumulation in multicomponent oxides, We have developed contour energy maps via computer simulations to predict the effects of oxide structure and chemical composition on radiation-induced atomic disorder, defect migration, and swelling. Ion irradiation damage experiments have been perfonned on, pyrochlore and fluorite-structured oxide ceramics to test the predictions from computer models.

  4. Frontiers in Chemical Imaging Seminar Series

    E-Print Network [OSTI]

    Frontiers in Chemical Imaging Seminar Series S cience and Technology of Multifunctional Oxide Materials Science Division, Argonne National Laboratory Abstract New paradigms in the research and development of novel multifunctional oxide and nanocarbon thin films are providing the bases for new physics

  5. Synthesis and characterizations of graphene oxide and reduced graphene oxide nanosheets

    SciTech Connect (OSTI)

    Venkanna, M., E-mail: venkanna.pcu@gmail.com; Chakraborty, Amit K., E-mail: venkanna.pcu@gmail.com [Carbon Nanotechnology Laboratory, Department of Physics, National Institute of Technology Durgapur, M.G. Avenue, Durgapur - 713209 (India)

    2014-04-24

    Interest in graphene on its excellent mechanical, electrical, thermal and optical properties, it’s very high specific surface area, and our ability to influence these properties through chemical functionalization. Chemical reduction of graphene oxide is one of the main routes of preparation for large quantities of graphenes. Hydrazine hydrate used as reducing agent to prepare for the reduced graphene oxide (RGO). There are a number of methods for generating graphene and chemically modified graphene from natural graphite flakes, graphite derivative (such as graphite oxide) and graphite interaction compounds (i.e. expandable graphite). Here we review the use of colloidal suspensions of reduced graphene oxide (RGO) with large scalable, and is adaptable to a wide variety of applications. The graphene oxide (GO) and the reduced material (RGO) were characterized by XRD, UV-Vis spectroscopy, Thermo-gravimetric analysis (TGA), Raman spectroscopy and Field emission Scanning electron microscopy (FESEM) etc.

  6. Thermal conversion of biomass to valuable fuels, chemical feedstocks and chemicals

    DOE Patents [OSTI]

    Peters, William A. (Lexington, MA); Howard, Jack B. (Winchester, MA); Modestino, Anthony J. (Hanson, MA); Vogel, Fredreric (Villigen PSI, CH); Steffin, Carsten R. (Herne, DE)

    2009-02-24

    A continuous process for the conversion of biomass to form a chemical feedstock is described. The biomass and an exogenous metal oxide, preferably calcium oxide, or metal oxide precursor are continuously fed into a reaction chamber that is operated at a temperature of at least 1400.degree. C. to form reaction products including metal carbide. The metal oxide or metal oxide precursor is capable of forming a hydrolizable metal carbide. The reaction products are quenched to a temperature of 800.degree. C. or less. The resulting metal carbide is separated from the reaction products or, alternatively, when quenched with water, hydolyzed to provide a recoverable hydrocarbon gas feedstock.

  7. CHEMICAL ENGINEERING AND MANUFACTURING CHEMICAL ENGINEERING

    E-Print Network [OSTI]

    Provancher, William

    CHEMICAL ENGINEERING AND MANUFACTURING CHEMICAL ENGINEERING Objective Chemical Engineers of chemicals. This lesson introduces students to one component of chemical engineering: food processing, and a chemical engineer 2. How chemical engineers are involved in food production 3. That chemical engineers need

  8. 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.

  9. Decontamination of metals using chemical etching

    DOE Patents [OSTI]

    Lerch, Ronald E. (Kennewick, WA); Partridge, Jerry A. (Richland, WA)

    1980-01-01

    The invention relates to chemical etching process for reclaiming contaminated equipment wherein a reduction-oxidation system is included in a solution of nitric acid to contact the metal to be decontaminated and effect reduction of the reduction-oxidation system, and includes disposing a pair of electrodes in the reduced solution to permit passage of an electrical current between said electrodes and effect oxidation of the reduction-oxidation system to thereby regenerate the solution and provide decontaminated equipment that is essentially radioactive contamination-free.

  10. Oxidation catalyst

    DOE Patents [OSTI]

    Ceyer, Sylvia T. (Cambridge, MA); Lahr, David L. (Cambridge, MA)

    2010-11-09

    The present invention generally relates to catalyst systems and methods for oxidation of carbon monoxide. The invention involves catalyst compositions which may be advantageously altered by, for example, modification of the catalyst surface to enhance catalyst performance. Catalyst systems of the present invention may be capable of performing the oxidation of carbon monoxide at relatively lower temperatures (e.g., 200 K and below) and at relatively higher reaction rates than known catalysts. Additionally, catalyst systems disclosed herein may be substantially lower in cost than current commercial catalysts. Such catalyst systems may be useful in, for example, catalytic converters, fuel cells, sensors, and the like.

  11. Aromatic-radical oxidation chemistry

    SciTech Connect (OSTI)

    Glassman, I.; Brezinsky, K. [Princeton Univ., NJ (United States)

    1993-12-01

    The research effort has focussed on discovering an explanation for the anomalously high CO{sub 2} concentrations observed early in the reaction sequence of the oxidation of cyclopentadiene. To explain this observation, a number of plausible mechanisms have been developed which now await experimental verification. One experimental technique for verifying mechanisms is to probe the reacting system by perturbing the radical concentrations. Two forms of chemical perturbation of the oxidation of cyclopentadiene were begun during this past year--the addition of NO{sub 2} and CO to the reacting mixture.

  12. 2010sr29[M Area].doc

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.TheoryTuesday, August 10, 2010 james-r.giusti@srs.gov Paivi Nettamo,Friday,Wednesday,

  13. 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.

  14. Classes of Chemical Reactions Reactions in aqueous media

    E-Print Network [OSTI]

    Zakarian, Armen

    Classes of Chemical Reactions Reactions in aqueous media · Precipitation reactions · Acid-Base reactions · Oxidation-Reduction reactions · Reversible reactions Classes of Chemical Reactions Water (H2O;Classes of Chemical Reactions The solubility of ionic compounds: dissociation O H H + NaCl Cl- Cl- Cl- Na

  15. Reasoning and Representation: the Sketching of Organic Chemical Reaction Mechanisms

    E-Print Network [OSTI]

    Marchese, Francis

    Reasoning and Representation: the Sketching of Organic Chemical Reaction Mechanisms Position paper of sketching chemical reaction mechanisms in order to reason-out the structural transformations that convert. The general chemical reaction patterns of oxidation-reduction, functional group transfer, hydrolysis

  16. 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.

  17. Chemical Evolution

    E-Print Network [OSTI]

    Francesca Matteucci

    2007-04-05

    In this series of lectures we first describe the basic ingredients of galactic chemical evolution and discuss both analytical and numerical models. Then we compare model results for the Milky Way, Dwarf Irregulars, Quasars and the Intra-Cluster- Medium with abundances derived from emission lines. These comparisons allow us to put strong constraints on the stellar nucleosynthesis and the mechanisms of galaxy formation.

  18. Use of chemical mechanical polishing in micromachining

    DOE Patents [OSTI]

    Nasby, R.D.; Hetherington, D.L.; Sniegowski, J.J.; McWhorter, P.J.; Apblett, C.A.

    1998-09-08

    A process for removing topography effects during fabrication of micromachines. A sacrificial oxide layer is deposited over a level containing functional elements with etched valleys between the elements such that the sacrificial layer has sufficient thickness to fill the valleys and extend in thickness upwards to the extent that the lowest point on the upper surface of the oxide layer is at least as high as the top surface of the functional elements in the covered level. The sacrificial oxide layer is then polished down and planarized by chemical-mechanical polishing. Another layer of functional elements is then formed upon this new planarized surface. 4 figs.

  19. Use of chemical mechanical polishing in micromachining

    DOE Patents [OSTI]

    Nasby, Robert D. (Albuquerque, NM); Hetherington, Dale L. (Albuquerque, NM); Sniegowski, Jeffry J. (Albuquerque, NM); McWhorter, Paul J. (Albuquerque, NM); Apblett, Christopher A. (Cedar Crest, NM)

    1998-01-01

    A process for removing topography effects during fabrication of micromachines. A sacrificial oxide layer is deposited over a level containing functional elements with etched valleys between the elements such that the sacrificial layer has sufficient thickness to fill the valleys and extend in thickness upwards to the extent that the lowest point on the upper surface of the oxide layer is at least as high as the top surface of the functional elements in the covered level. The sacrificial oxide layer is then polished down and planarized by chemical-mechanical polishing. Another layer of functional elements is then formed upon this new planarized surface.

  20. Lithium metal reduction of plutonium oxide to produce plutonium metal

    DOE Patents [OSTI]

    Coops, Melvin S. (Livermore, CA)

    1992-01-01

    A method is described for the chemical reduction of plutonium oxides to plutonium metal by the use of pure lithium metal. Lithium metal is used to reduce plutonium oxide to alpha plutonium metal (alpha-Pu). The lithium oxide by-product is reclaimed by sublimation and converted to the chloride salt, and after electrolysis, is removed as lithium metal. Zinc may be used as a solvent metal to improve thermodynamics of the reduction reaction at lower temperatures. Lithium metal reduction enables plutonium oxide reduction without the production of huge quantities of CaO--CaCl.sub.2 residues normally produced in conventional direct oxide reduction processes.

  1. Graphene Oxide as an Electrophile for Carbon Nucleophiles

    E-Print Network [OSTI]

    Swager, Timothy Manning

    The covalent, surface functionalization of graphene oxide with the malononitrile anion has been demonstrated. Once installed, these surface-bound “molecular lynchpins” can be chemically modified to increase the solubility ...

  2. Stratospheric sulfur oxidation kinetics

    SciTech Connect (OSTI)

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

    1995-12-31

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

  3. Manganese oxide nanowires, films, and membranes and methods of making

    DOE Patents [OSTI]

    Suib, Steven Lawrence (Storrs, CT); Yuan, Jikang (Storrs, CT)

    2011-02-15

    Nanowires, films, and membranes comprising ordered porous manganese oxide-based octahedral molecular sieves and methods of making the same are disclosed. A method for forming nanowires includes hydrothermally treating a chemical precursor composition in a hydrothermal treating solvent to form the nanowires, wherein the chemical precursor composition comprises a source of manganese cations and a source of counter cations, and wherein the nanowires comprise ordered porous manganese oxide-based octahedral molecular sieves.

  4. Metal Oxide Nanofiber Catalysis

    E-Print Network [OSTI]

    Noon, Daniel Patrick

    2015-01-01

    and Mechanism. Chemical Engineering Science, 1980. 35(6): p.Catalytic Combustor. Chemical Engineering Science, 1980. 35(Gas Shift Reaction. Chemical Engineering Science, 1981. 36(

  5. Mechanical Engineering Manufacturing Solid Oxide Fuel Cells for Improved Electro-

    E-Print Network [OSTI]

    Lin, Xi

    for the commercialization of solid oxide fuel cells (SOFCs) are its high manufacturing and material costs expressed in termsUday Pal Mechanical Engineering Manufacturing Solid Oxide Fuel Cells for Improved Electro- chemical of the SOFC system cost per unit power ($/kW). In this work, anode-supported planar SOFCs were fabricated

  6. Chemical Science

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory of raregovAboutRecoveryplanning CareerNationalCNMSTHEmaterials |Chemical

  7. 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.

  8. Oxidative particle mixtures for groundwater treatment

    DOE Patents [OSTI]

    Siegrist, Robert L. (Boulder, CO); Murdoch, Lawrence C. (Clemson, SC)

    2000-01-01

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

  9. Chemical Accelerators The phrase "chemical accelerators"

    E-Print Network [OSTI]

    Meetings Chemical Accelerators The phrase "chemical accelerators" is scarcely older than for one or two dozen people grew to include nearly a hundred. Chemical accelerators is a name sug- gested by one of us for devices that produce beams of chemically interesting species at relative kinetic

  10. Biocatalytic conversion of ethylene to ethylene oxide using an engineered toluene monooxygenase

    SciTech Connect (OSTI)

    Carlin, DA; Bertolani, SJ; Siegel, JB

    2015-01-01

    Mutants of toluene o-xylene monooxygenase are demonstrated to oxidize ethylene to ethylene oxide in vivo at yields of >99%. The best mutant increases ethylene oxidation activity by >5500-fold relative to the native enzyme. This is the first report of a recombinant enzyme capable of carrying out this industrially significant chemical conversion.

  11. SolGel Electrophoretic Deposition for the Growth of Oxide Nanorods**

    E-Print Network [OSTI]

    Cao, Guozhong

    ±gel processing is a wet chemical route for the synthesis and processing of inorganic and organic±inorganic hybrid materials. It is particularly useful in making complex metal oxides and temperature sensitive organic±inorganic and Guozhong Cao* 1. Introduction Metal oxides, particularly complex metal oxides, are impor- tant materials

  12. 31 March 2000 Z .Chemical Physics Letters 320 2000 186193

    E-Print Network [OSTI]

    Truong, Thanh N.

    31 March 2000 Z .Chemical Physics Letters 320 2000 186­193 www.elsevier.nlrlocatercplett Liquid 1999; in final form 22 January 2000 Abstract Z .We calculated the structure of water in contact as a constituent of a self-consistent description of chemical processes at a metal oxide­water interface. q 2000

  13. Structural Characterization of Molybdenum Oxide Supported on Zirconia Shuibo Xie, Kaidong Chen, Alexis T. Bell,* and Enrique Iglesia*

    E-Print Network [OSTI]

    Iglesia, Enrique

    Structural Characterization of Molybdenum Oxide Supported on Zirconia Shuibo Xie, Kaidong Chen National Laboratory, and Department of Chemical Engineering, UniVersity of California, Berkeley, California

  14. Photo-oxidation catalysts

    DOE Patents [OSTI]

    Pitts, J. Roland (Lakewood, CO); Liu, Ping (Irvine, CA); Smith, R. Davis (Golden, CO)

    2009-07-14

    Photo-oxidation catalysts and methods for cleaning a metal-based catalyst are disclosed. An exemplary catalyst system implementing a photo-oxidation catalyst may comprise a metal-based catalyst, and a photo-oxidation catalyst for cleaning the metal-based catalyst in the presence of light. The exposure to light enables the photo-oxidation catalyst to substantially oxidize absorbed contaminants and reduce accumulation of the contaminants on the metal-based catalyst. Applications are also disclosed.

  15. Growth of tungsten oxide on carbon nanowalls templates

    SciTech Connect (OSTI)

    Wang, Hua; Su, Yan; Chen, Shuo; Quan, Xie

    2013-03-15

    Highlights: ? Tungsten oxide deposited on carbon nanowalls by hot filament chemical vapor deposition technique. ? This composite has two-dimensional uniform morphology with a crystalline structure of monoclinic tungsten trioxide. ? Surface photoelectric voltage measurements show that this product has photoresponse properties. - Abstract: In the present work we present a simple approach for coupling tungsten oxide with carbon nanowalls. The two-dimensional carbon nanowalls with open boundaries were grown using plasma enhanced hot filament chemical vapor deposition, and the subsequent tungsten oxide growth was performed in the same equipment by direct heating of a tungsten filament. The tungsten oxide coating is found to have uniform morphology with a crystalline structure of monoclinic tungsten trioxide. Surface photoelectric voltage measurements show that this product has photoresponse properties. The method of synthesis described here provides an operable route to the production of two-dimensional tungsten oxide nanocomposites.

  16. 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.

  17. The oxidative dehydrogenation of ethane with nitrous oxide by molybdenum oxide supported on silica gel 

    E-Print Network [OSTI]

    Yang, Tsong-Jen

    1979-01-01

    or indirectly from 02, thus tne difference between the two oxidants becomes less sig- nificant. Both rates of formation for C2H4 and C0 were enhanced in the presence of a very small amount of oxygen in the mixture of C2B& and N 0. A radical mechanism... process because of the large and expanding demand for alkenes and dialkenes which are used in the manufacture of various chemical prod- ucts such as detergents, plastics, synthetic rubber, anc high octane gasoline. One example of this type of reaction...

  18. Millisecond Oxidation of Alkanes

    SciTech Connect (OSTI)

    Scott Han

    2011-09-30

    This project was undertaken in response to the Department of Energy's call to research and develop technologies 'that will reduce energy consumption, enhance economic competitiveness, and reduce environmental impacts of the domestic chemical industry.' The current technology at the time for producing 140 billion pounds per year of propylene from naphtha and Liquified Petroleum Gas (LPG) relied on energy- and capital-intensive steam crackers and Fluidized Catalytic Cracking (FCC) units. The propylene is isolated from the product stream in a costly separation step and subsequently converted to acrylic acid and other derivatives in separate production facilities. This project proposed a Short Contact Time Reactor (SCTR)-based catalytic oxydehydrogenation process that could convert propane to propylene and acrylic acid in a cost-effective and energy-efficient fashion. Full implementation of this technology could lead to sizeable energy, economic and environmental benefits for the U. S. chemical industry by providing up to 45 trillion BTUs/year, cost savings of $1.8 billion/year and a combined 35 million pounds/year reduction in environmental pollutants such as COx, NOx, and SOx. Midway through the project term, the program directive changed, which approval from the DOE and its review panel, from direct propane oxidation to acrylic acid at millisecond contact times to a two-step process for making acrylic acid from propane. The first step was the primary focus, namely the conversion of propane to propylene in high yields assisted by the presence of CO2. The product stream from step one was then to be fed directly into a commercially practiced propylene-to-acrylic acid tandem reactor system.

  19. Phase Discrimination through Oxidant Selection for Iron Oxide...

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

    Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin Films Home > Research > ANSER Research Highlights > Phase Discrimination through Oxidant Selection for Iron...

  20. Cerium Oxide Coating for Oxidation Reduction

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

    Award In order to produce power more efficiently and cleanly, the next generation of power plant boilers, turbines, solid oxide fuel cells (SOFCs) and other essential equipment...

  1. CHEMICAL ENGINEERING Curriculum Notes

    E-Print Network [OSTI]

    Mohan, Chilukuri K.

    CHEMICAL ENGINEERING Curriculum Notes 2013-2014 1. Chemical engineering students must complete not included in the required chemical engineering curriculum. All technical electives are subject to approval be in chemical engineering. 2. Chemical engineering students must complete a minimum of 18 credits in the Social

  2. In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts

    E-Print Network [OSTI]

    Iglesia, Enrique

    of Chemical Engineering, University of California at Berkeley, Berkeley, CA, 94720-1462, USA. E-mail: iglesia to increase with increasing VOx domain size and propane/O2 ratio. Oxidative dehydrogenation (ODH) of alkanes by in situ X-ray absorption spectroscopy.3 Our efforts to detect reduced centers during propane ODH

  3. Laser induced chemical reactions

    E-Print Network [OSTI]

    Orel, Ann E.

    2010-01-01

    the simplest prototype chemical reaction, and since it is soLASER ENHANCEMENT OF CHEMICAL REACTIONS A. B. C. D. E.Laser Inhibition of Chemical Reaction Effect of Isotopic

  4. Microfluidic chemical reaction circuits

    DOE Patents [OSTI]

    Lee, Chung-cheng (Irvine, CA); Sui, Guodong (Los Angeles, CA); Elizarov, Arkadij (Valley Village, CA); Kolb, Hartmuth C. (Playa del Rey, CA); Huang, Jiang (San Jose, CA); Heath, James R. (South Pasadena, CA); Phelps, Michael E. (Los Angeles, CA); Quake, Stephen R. (Stanford, CA); Tseng, Hsian-rong (Los Angeles, CA); Wyatt, Paul (Tipperary, IE); Daridon, Antoine (Mont-Sur-Rolle, CH)

    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.

  5. Sandia Energy - Chemical Dynamics

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

    Chemical Dynamics Home Transportation Energy Predictive Simulation of Engines Combustion Chemistry Chemical Dynamics Chemical DynamicsAshley Otero2015-10-28T02:45:37+00:00...

  6. Chemical Engineering Science 59 (2004) 13091323 www.elsevier.com/locate/ces

    E-Print Network [OSTI]

    Rochelle, Gary T.

    2004-01-01

    Chemical Engineering Science 59 (2004) 1309­1323 www.elsevier.com/locate/ces Simultaneous of Chemical Engineering, The University of Texas at Austin, 1 University Station C0400, Austin, TX 78712, USA with chemical reaction. At the gas/liquid interface, chlorine oxidizes the elemental Hg to a more soluble form

  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)

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

  9. 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.

  10. Enhanced Chemical Cleaning

    Office of Environmental Management (EM)

    Enhanced Chemical Cleaning Renee H. Spires Enhanced Chemical Cleaning Project Manager July 29, 2009 Tank Waste Corporate Board 2 Objective Provide an overview of the ECC process...

  11. Methane oxidation rates by AMS

    E-Print Network [OSTI]

    Pack, M; Heintz, M; ReeburGh, WS; Trumbore, SE; Valentine, DL; Xu, X

    2009-01-01

    second case. Number of cases Methane oxidation rates by AMSIn the marine environment methane (CH 4 ) oxidation consumes

  12. Chemical Hygiene and Safety Plan

    E-Print Network [OSTI]

    Ricks Editor, R.

    2009-01-01

    ether ethylene oxide lead and lead compounds mercury andether ethylene oxide lead and lead compounds mercury andoxide lead

  13. Graphite Oxidation Simulation in HTR Accident Conditions

    SciTech Connect (OSTI)

    El-Genk, Mohamed

    2012-10-19

    Massive air and water ingress, following a pipe break or leak in steam-generator tubes, is a design-basis accident for high-temperature reactors (HTRs). Analysis of these accidents in both prismatic and pebble bed HTRs requires state-of-the-art capability for predictions of: 1) oxidation kinetics, 2) air ?helium gas mixture stratification and diffusion into the core following the depressurization, 3) transport of multi-species gas mixture, and 4) graphite corrosion. This project will develop a multi-dimensional, comprehensive oxidation kinetics model of graphite in HTRs, with diverse capabilities for handling different flow regimes. The chemical kinetics/multi-species transport model for graphite burning and oxidation will account for temperature-related changes in the properties of graphite, oxidants (O2, H2O, CO), reaction products (CO, CO2, H2, CH4) and other gases in the mixture (He and N2). The model will treat the oxidation and corrosion of graphite in geometries representative of HTR core component at temperatures of 900°C or higher. The developed chemical reaction kinetics model will be user-friendly for coupling to full core analysis codes such as MELCOR and RELAP, as well as computational fluid dynamics (CFD) codes such as CD-adapco. The research team will solve governing equations for the multi-dimensional flow and the chemical reactions and kinetics using Simulink, an extension of the MATLAB solver, and will validate and benchmark the model's predictions using reported experimental data. Researchers will develop an interface to couple the validated model to a commercially available CFD fluid flow and thermal-hydraulic model of the reactor , and will perform a simulation of a pipe break in a prismatic core HTR, with the potential for future application to a pebble-bed type HTR.

  14. Shot-Peening of Pre-Oxidized Plates of Zirconium: Influence of Residual Stress on Oxidation

    E-Print Network [OSTI]

    Raceanu, Laura; Montesin, Tony; Montay, Guillaume; Francois, Manuel

    2013-01-01

    The present study deals with oxidation behavior under residual stress of shot-peened plates of "commercially pure" zirconium exposed for 30 min at 650 C. The influence of the shot-peening on a pre-oxidized material is presented. The results have been used to determine the influences of these chemical (preoxidation) and mechanical (shot-peening) treatments on the high temperature oxidation of zirconium. The oxygen profile was revealed using micro-hardness techniques and confirmed by SEM-EDS techniques. After pre-oxidation the samples were first resurfaced then shot-peened in order to introduce residual stress. A significant increase of the hardness of about 400 HV was observed on pre-oxidized shot-peened samples. Thermogravimetric analysis for 30 min at 650 C under 200 mbar O2 showed a significantly slower oxidation rate for shot-peened samples. A comparison with our computations points out the role of the residual stresses on the diffusion and, consequently, on the oxidation.

  15. Chemical Management Contacts

    Broader source: Energy.gov [DOE]

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

  16. PLUTONIUM METAL: OXIDATION CONSIDERATIONS AND APPROACH

    SciTech Connect (OSTI)

    Estochen, E.

    2013-03-20

    Plutonium is arguably the most unique of all metals when considered in the combined context of metallurgical, chemical, and nuclear behavior. Much of the research in understanding behavior and characteristics of plutonium materials has its genesis in work associated with nuclear weapons systems. However, with the advent of applications in fuel materials, the focus in plutonium science has been more towards nuclear fuel applications, as well as long term storage and disposition. The focus of discussion included herein is related to preparing plutonium materials to meet goals consistent with non-proliferation. More specifically, the emphasis is on the treatment of legacy plutonium, in primarily metallic form, and safe handling, packaging, and transport to meet non-proliferation goals of safe/secure storage. Elevated temperature oxidation of plutonium metal is the treatment of choice, due to extensive experiential data related to the method, as the oxide form of plutonium is one of only a few compounds that is relatively simple to produce, and stable over a large temperature range. Despite the simplicity of the steps required to oxidize plutonium metal, it is important to understand the behavior of plutonium to ensure that oxidation is conducted in a safe and effective manner. It is important to understand the effect of changes in environmental variables on the oxidation characteristics of plutonium. The primary purpose of this report is to present a brief summary of information related to plutonium metal attributes, behavior, methods for conversion to oxide, and the ancillary considerations related to processing and facility safety. The information provided is based on data available in the public domain and from experience in oxidation of such materials at various facilities in the United States. The report is provided as a general reference for implementation of a simple and safe plutonium metal oxidation technique.

  17. Partial oxidation catalyst

    DOE Patents [OSTI]

    Krumpelt, Michael (Naperville, IL); Ahmed, Shabbir (Bolingbrook, IL); Kumar, Romesh (Naperville, IL); Doshi, Rajiv (Downers Grove, IL)

    2000-01-01

    A two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion. The dehydrogenation portion is a group VIII metal and the oxide-ion conducting portion is selected from a ceramic oxide crystallizing in the fluorite or perovskite structure. There is also disclosed a method of forming a hydrogen rich gas from a source of hydrocarbon fuel in which the hydrocarbon fuel contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion at a temperature not less than about 400.degree. C. for a time sufficient to generate the hydrogen rich gas while maintaining CO content less than about 5 volume percent. There is also disclosed a method of forming partially oxidized hydrocarbons from ethanes in which ethane gas contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion for a time and at a temperature sufficient to form an oxide.

  18. Fluorine compounds for doping conductive oxide thin films

    DOE Patents [OSTI]

    Gessert, Tim; Li, Xiaonan; Barnes, Teresa M; Torres, Jr., Robert; Wyse, Carrie L

    2013-04-23

    Methods of forming a conductive fluorine-doped metal oxide layer on a substrate by chemical vapor deposition are described. The methods may include heating the substrate in a processing chamber, and introducing a metal-containing precursor and a fluorine-containing precursor to the processing chamber. The methods may also include adding an oxygen-containing precursor to the processing chamber. The precursors are reacted to deposit the fluorine-doped metal oxide layer on the substrate. Methods may also include forming the conductive fluorine-doped metal oxide layer by plasma-assisted chemical vapor deposition. These methods may include providing the substrate in a processing chamber, and introducing a metal-containing precursor, and a fluorine-containing precursor to the processing chamber. A plasma may be formed that includes species from the metal-containing precursor and the fluorine-containing precursor. The species may react to deposit the fluorine-doped metal oxide layer on the substrate.

  19. Fluorescence based chemical sensors for corrosion detection

    SciTech Connect (OSTI)

    Johnson, R.E.; Agarwala, V.S.

    1997-12-01

    Several fluorescent materials have been identified as possible corrosion sensing coatings. These are either redox or metal ion complex materials. The redox materials are nonfluorescent in the reduced state and become fluorescent upon oxidation. Incorporated into paint coatings, they provide an early warning of corrosive conditions at the metal or alloy surface. The metal ion complex materials only fluoresce when the organic compound complexes with metal ions such as those generated in corrosion reactions. Fluorescent materials have been incorporated into paint coatings and on metal surfaces for the detection of corrosion. Oxine reacts with aluminum oxide on corroded aluminum to give a fluorescence that can be photographed in UV light. Several other materials were found to have good fluorescence but cannot be reversibly oxidized or reduced at the present time. More work will be done with these compounds as well as with Schiff bases to develop new fluorescent chemical sensing materials for smart coating on alloy surfaces.

  20. 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.

  1. Effects of Al2O3 support modifications on MoOx and VOx catalysts for dimethyl ether oxidation to formaldehyde

    E-Print Network [OSTI]

    Iglesia, Enrique

    to formaldehyde Haichao Liu, Patricia Cheung and Enrique Iglesia* Department of Chemical Engineering, University from support modifications in oxidation catalysts. 1. Introduction Formaldehyde (HCHO) is produced via

  2. Oxidation kinetics of by-product calcium sulfite 

    E-Print Network [OSTI]

    Othman, Hasliza

    1992-01-01

    ) process at TU-Electric power plant were characterized using x-ray diffraction and thermal analyses and were found to consist mainly of calcium sulfite hemihydrate. Calcium sulfite can be oxidized in its solid state to form anhydrous calcium sulfate... Preparation and Characterization . . . . . . . . . . . . . 1. Thermal Analysis 2. X-ray Diffraction 3. Particle Size Analysis 4. Chemical Analysis . . . . . B. Calcium Sulfite Oxidation 20 21 21 23 1. Apparatus 2. Procedure I V RESULTS...

  3. Method for removing oxide contamination from titanium diboride powder

    DOE Patents [OSTI]

    Brynestad, Jorulf (Oak Ridge, TN); Bamberger, Carlos E. (Oak Ridge, TN)

    1984-01-01

    A method for removing oxide contamination from titanium diboride powder involves the direct chemical treatment of TiB.sub.2 powders with a gaseous boron halide, such as BCl.sub.3, at temperatures in the range of 500.degree.-800.degree. C. The BCl.sub.3 reacts with the oxides to form volatile species which are removed by the BCl.sub.3 exit stream.

  4. Metal oxides for efficient infrared to visible upconversion

    E-Print Network [OSTI]

    Etchart, Isabelle

    2010-10-12

    Department of Materials Science and Metallurgy Metal Oxides for Efficient Infrared to Visible Upconversion Isabelle Etchart Corpus Christi College A dissertation submitted for the degree of Doctor of Philosophy Preface i... to the investigation of lanthanide-doped metal oxide hosts due to their good chemical, thermal and mechanical stabilities. Chapter 1 : General i ntroductio n 4 1 .4 . Previo us w ork In this thesis, we present results obtained on Y 2...

  5. Oxidation Resistant Graphite Studies

    SciTech Connect (OSTI)

    W. Windes; R. Smith

    2014-07-01

    The Very High Temperature Reactor (VHTR) Graphite Research and Development Program is investigating doped nuclear graphite grades exhibiting oxidation resistance. During a oxygen ingress accident the oxidation rates of the high temperature graphite core region would be extremely high resulting in significant structural damage to the core. Reducing the oxidation rate of the graphite core material would reduce the structural effects and keep the core integrity intact during any air-ingress accident. Oxidation testing of graphite doped with oxidation resistant material is being conducted to determine the extent of oxidation rate reduction. Nuclear grade graphite doped with varying levels of Boron-Carbide (B4C) was oxidized in air at nominal 740°C at 10/90% (air/He) and 100% air. The oxidation rates of the boronated and unboronated graphite grade were compared. With increasing boron-carbide content (up to 6 vol%) the oxidation rate was observed to have a 20 fold reduction from unboronated graphite. Visual inspection and uniformity of oxidation across the surface of the specimens were conducted. Future work to determine the remaining mechanical strength as well as graphite grades with SiC doped material are discussed.

  6. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    coupled to an infrared water-filter (Oriel no. 6127) using acoupled to an infrared water-filter (Oriel no. 6127) using acoupled to an infrared water filter (Oriel No. 6127) and an

  7. Determination of chemical properties of a supported copper oxide catalyst 

    E-Print Network [OSTI]

    Bandyopadhyay, Asok

    1955-01-01

    equilibrium slackly, and has a veleoity oharaoterised by a temperature oosffioient, It is generally rever- sible by the oomb1ned offsets of ohanges in temperature and pressure. Chcmd. sorption ooours at high velooities vhen a gas roasts with a solid... vas evaouated, then it was filled vith nitrogen of a high purity, The gas was oompressed by filling part of the oompression ohambsr with meroury, vh1ch oaused oondensa- tion in the temperature meal'ing element, whioh vas immersed in the liquid n1...

  8. Isomer-Specific Biodegradation and Chemical Oxidation of Nonylphenol

    E-Print Network [OSTI]

    Lu, Zhijiang

    2014-01-01

    at 3 sites (near the rivermouth, 7 km offshore, and12 km offshore) in the Ariake Sea, Japan. As expected, thefrom the rivermouth to 7 km offshore while the concentration

  9. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    the more and more urgent energy crisis in today’s society.the more and more urgent energy crisis in today’s society.demanding and the faced energy crisis is becoming one of the

  10. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    Z. ; Li, Y. , Energy & Environmental Science 2012, 5, Qin,Zhang, J. Z. , Energy & Environmental Science 2012, 5, Lin,Wang, D. W. , Energy & Environmental Science 2011, 4, 10.

  11. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    photosynthesis, artificial photosynthesis to generatephotosynthesis, artificial photosynthesis to generatelight. The first artificial photosynthesis of H 2 by water

  12. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    E-Print Network [OSTI]

    Wang, Gongming

    2013-01-01

    Central to the success of hydrogen technology is the efficient generation of hydrogen from a renewable energy

  13. Initial chemical steps in the low-temperature oxidation of

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing(Journal Article)lasers(JournalatBaBarthe Gold-Ionic25-dimethylhexane. (Journal Article)

  14. Chemically bonded phospho-silicate ceramics

    DOE Patents [OSTI]

    Wagh, Arun S. (Orland Park, IL); Jeong, Seung Y. (Westmont, IL); Lohan, Dirk (Chicago, IL); Elizabeth, Anne (Chicago, IL)

    2003-01-01

    A chemically bonded phospho-silicate ceramic formed by chemically reacting a monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and a sparsely soluble oxide, with a sparsely soluble silicate in an aqueous solution. The monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and sparsely soluble oxide are both in powder form and combined in a stochiometric molar ratio range of (0.5-1.5):1 to form a binder powder. Similarly, the sparsely soluble silicate is also in powder form and mixed with the binder powder to form a mixture. Water is added to the mixture to form a slurry. The water comprises 50% by weight of the powder mixture in said slurry. The slurry is allowed to harden. The resulting chemically bonded phospho-silicate ceramic exhibits high flexural strength, high compression strength, low porosity and permeability to water, has a definable and bio-compatible chemical composition, and is readily and easily colored to almost any desired shade or hue.

  15. Inhibition of Oxidation in Nuclear Graphite

    SciTech Connect (OSTI)

    Phil Winston; James W. Sterbentz; William E. Windes

    2013-10-01

    Graphite is a fundamental material of high temperature gas cooled nuclear reactors, providing both structure and neutron moderation. Its high thermal conductivity, chemical inertness, thermal heat capacity, and high thermal structural stability under normal and off normal conditions contribute to the inherent safety of these reactor designs. One of the primary safety issues for a high temperature graphite reactor core is the possibility of rapid oxidation of the carbon structure during an off normal design basis event where an oxidizing atmosphere (air ingress) can be introduced to the hot core. Although the current Generation IV high temperature reactor designs attempt to mitigate any damage caused by a postualed air ingress event, the use of graphite components that inhibit oxidation is a logical step to increase the safety of these reactors. Recent experimental studies of graphite containing between 5.5 and 7 wt% boron carbide (B4C) indicate that oxidation is dramatically reduced even at prolonged exposures at temperatures up to 900°C. The proposed addition of B4C to graphite components in the nuclear core would necessarily be enriched in B-11 isotope in order to minimize B-10 neutron absorption and graphite swelling. The enriched boron can be added to the graphite during billet fabrication. Experimental oxidation rate results and potential applications for borated graphite in nuclear reactor components will be discussed.

  16. Recent advances of lanthanum-based perovskite oxides for catalysis

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

    Zhu, Huiyuan; Zhang, Pengfei; Dai, Sheng

    2015-09-21

    There is a need to reduce the use of noble metal elements especially in the field of catalysis, where noble metals are ubiquitously applied. To this end, perovskite oxides, an important class of mixed oxide, have been attracting increasing attention for decades as potential replacements. Benefiting from the extraordinary tunability of their compositions and structures, perovskite oxides can be rationally tailored and equipped with targeted physical and chemical properties e.g. redox behavior, oxygen mobility, and ion conductivity for enhanced catalysis. Recently, the development of highly efficient perovskite oxide catalysts has been extensively studied. This review article summarizes the recent developmentmore »of lanthanum-based perovskite oxides as advanced catalysts for both energy conversion applications and traditional heterogeneous reactions.« less

  17. Barium oxide, calcium oxide, magnesia, and alkali oxide free glass

    DOE Patents [OSTI]

    Lu, Peizhen Kathy; Mahapatra, Manoj Kumar

    2013-09-24

    A glass composition consisting essentially of about 10-45 mole percent of SrO; about 35-75 mole percent SiO.sub.2; one or more compounds from the group of compounds consisting of La.sub.2O.sub.3, Al.sub.2O.sub.3, B.sub.2O.sub.3, and Ni; the La.sub.2O.sub.3 less than about 20 mole percent; the Al.sub.2O.sub.3 less than about 25 mole percent; the B.sub.2O.sub.3 less than about 15 mole percent; and the Ni less than about 5 mole percent. Preferably, the glass is substantially free of barium oxide, calcium oxide, magnesia, and alkali oxide. Preferably, the glass is used as a seal in a solid oxide fuel/electrolyzer cell (SOFC) stack. The SOFC stack comprises a plurality of SOFCs connected by one or more interconnect and manifold materials and sealed by the glass. Preferably, each SOFC comprises an anode, a cathode, and a solid electrolyte.

  18. Three Dimensional Mapping of Nicle Oxidation States Using Full Field Xray Absorption Near Edge Structure Nanotomography

    SciTech Connect (OSTI)

    Nelson, G.J.; Chu, Y.; Harris, W.M.; Izzo, J.R.; Grew, K.N., Chiu, W.K.S.; Yi, J.; Andrews, J.C.; Liu, Y., Pierro, P.

    2011-04-28

    The reduction-oxidation cycling of the nickel-based oxides in composite solid oxide fuel cells and battery electrodes is directly related to cell performance. A greater understanding of nickel redox mechanisms at the microstructural level can be achieved in part using transmission x-ray microscopy (TXM) to explore material oxidation states. X-ray nanotomography combined with x-ray absorption near edge structure (XANES) spectroscopy has been applied to study samples containing distinct regions of nickel and nickel oxide (NiO) compositions. Digitally processed images obtained using TXM demonstrate the three-dimensional chemical mapping and microstructural distribution capabilities of full-field XANES nanotomography.

  19. Monolithic integration of rare-earth oxides and semiconductors for on-silicon technology

    SciTech Connect (OSTI)

    Dargis, Rytis, E-mail: dargis@translucentinc.com; Clark, Andrew; Erdem Arkun, Fevzi [Translucent, Inc., 952 Commercial St., Palo Alto, California 94303 (United States); Grinys, Tomas; Tomasiunas, Rolandas [Institute of Applied Research, Vilnius University, Sauletekio al. 10, LT-10223 Vilnius (Lithuania); O'Hara, Andy; Demkov, Alexander A. [Department of Physics, The University of Texas at Austin, 2515 Speedway, C1600, Austin, Texas 78712 (United States)

    2014-07-01

    Several concepts of integration of the epitaxial rare-earth oxides into the emerging advanced semiconductor on silicon technology are presented. Germanium grows epitaxially on gadolinium oxide despite lattice mismatch of more than 4%. Additionally, polymorphism of some of the rare-earth oxides allows engineering of their crystal structure from hexagonal to cubic and formation of buffer layers that can be used for growth of germanium on a lattice matched oxide layer. Molecular beam epitaxy and metal organic chemical vapor deposition of gallium nitride on the rare-earth oxide buffer layers on silicon is discussed.

  20. Development of specialty chemicals from dimethyl ether

    SciTech Connect (OSTI)

    Tartamella, T.L.; Lee, S.

    1996-12-31

    Dimethyl ether (DME) may be efficiently produced from coal-bases syngas in a high pressure, mechanically agitated slurry reactor. DME synthesis occurs in the liquid phase using a dual catalyst. By operating in a dual catalyst mode, DME may be converted from in-situ produced methanol resulting in higher methyl productivities and syngas conversions over methanol conversion alone. The feasibility of utilizing DME as a building block for more valuable specialty chemicals has been examined. A wide variety of petrochemicals may be produced from DME including light olefins, gasoline range hydrocarbons, oxygenates, and glycol precursors. These chemicals represent an important part of petroleum industries inventory of fine chemicals. Carbonylation, hydrocarbonylation, and oxidative dimerization are but a few of the reactions in which DME may undergo conversion. DME provides an additional route for the production of industrially important petrochemicals.

  1. Mixed oxide solid solutions

    DOE Patents [OSTI]

    Magno, Scott (Dublin, CA); Wang, Ruiping (Fremont, CA); Derouane, Eric (Liverpool, GB)

    2003-01-01

    The present invention is a mixed oxide solid solution containing a tetravalent and a pentavalent cation that can be used as a support for a metal combustion catalyst. The invention is furthermore a combustion catalyst containing the mixed oxide solid solution and a method of making the mixed oxide solid solution. The tetravalent cation is zirconium(+4), hafnium(+4) or thorium(+4). In one embodiment, the pentavalent cation is tantalum(+5), niobium(+5) or bismuth(+5). Mixed oxide solid solutions of the present invention exhibit enhanced thermal stability, maintaining relatively high surface areas at high temperatures in the presence of water vapor.

  2. INCOMPATIBILITY OF COMMON LABORATORY CHEMICALS When certain hazardous chemicals are stored or mixed together, violent reactions may occur because the chemicals are

    E-Print Network [OSTI]

    Zhang, Zhongfei "Mark"

    . Classes of incompatible chemicals should be segregated from each other during storage, according to hazard class. Use the following general guidelines for hazard class storage: · Flammable/Combustible Liquids, sodium chloride, sulfur Ammonia acids, aldehydes, amides, halogens, heavy metals, oxidizers, plastics

  3. Assessment of an Industrial Wet Oxidation System for Burning Waste and Low-Grade Fuels 

    E-Print Network [OSTI]

    Bettinger, J.; Koppel, P.; Margulies, A.

    1988-01-01

    of subcritical and supercritical wet oxidation technologies to chemical, food processing, pharmaceutical, wood-pulping, and coal-washing wastes. Each application is evaluated for technical and economic feasibility as well as its national applicability...

  4. Enantiospecific Desorption of R-and S-Propylene Oxide from a Chiral Cu(643) Surface

    E-Print Network [OSTI]

    Gellman, Andrew J.

    . Horvath and Andrew J. Gellman* Department of Chemical Engineering Carnegie Mellon UniVersity Pittsburgh surfaces and the activation barriers to -hydride elimination for R- and S-butan-2-oxide on the Ag(643)R

  5. Method of producing stable metal oxides and chalcogenides and power source

    DOE Patents [OSTI]

    Doddapaneni, N.; Ingersoll, D.

    1996-10-22

    A method is described for making chemically and electrochemically stable oxides or other chalcogenides for use as cathodes for power source applications, and of making batteries comprising such materials. 6 figs.

  6. Thermo-mechanical modeling of a micro-fabricated solid oxide fuel cell

    E-Print Network [OSTI]

    Ie, Tze Yung Andrew, 1978-

    2004-01-01

    A micro-fabricated solid oxide fuel cell is currently being designed by the Micro-chemical Power Team(funded under the Multidisciplinary University Research Initiative(MURI) Research Program). In the current design a plate ...

  7. The Department of Chemical Engineering and Materials Science Michigan State University

    E-Print Network [OSTI]

    COEFFICIENTS OF LANTHANUM STRONTIUM FERRITE FILMS Solid oxide fuel cells (SOFCs) provide fuel flexibility, low environmental impacts and the highest efficiency of any chemical-to-electrical energy conversion technology

  8. How Physical and Chemical Properties Change Ice Nucleation Efficiency of Soot and Polyaromatic Hydrocarbon Particles 

    E-Print Network [OSTI]

    Suter, Katie Ann

    2012-10-19

    freezing. The mechanism by which this freezing occurs depends on the ambient conditions and composition of the IN. Aerosol properties change through chemical aging and reactions with atmospheric oxidants such as ozone. We have conducted a series...

  9. 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.

  10. 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).

  11. 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.

  12. Chemical Sciences Division - CSD

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

    CSD Chemical Sciences Division CSD Organization Contact List Search Other Links Research Areas Research Highlights Organization Contacts Publications Awards Employment...

  13. MECS 2006- Chemicals

    Broader source: Energy.gov [DOE]

    Manufacturing Energy and Carbon Footprint for Chemicals Sector (NAICS 325) with Total Energy Input, October 2012 (MECS 2006)

  14. Chemical Zeolites Combinatorial . . .

    E-Print Network [OSTI]

    Servatius, Brigitte

    Chemical Zeolites Combinatorial . . . Realization 2d Zeolites Finite Zeolites The Layer . . . Holes University (Brigitte Servatius -- WPI) #12;Chemical Zeolites Combinatorial . . . Realization 2d Zeolites. Chemical Zeolites · crystalline solid · units: Si + 4O Si O O O O · two covalent bonds per oxygen #12

  15. Department of Chemical Engineering

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    Developing Leaders of Innovation Department of Chemical Engineering #12;At the University of Virginia, we educate students in traditional and nontraditional areas of chemical engineering, giving them.Va. Department of Chemical Engineering benefit from a modern academic curriculum and state

  16. Equilibrium Chemical Engines

    E-Print Network [OSTI]

    Tatsuo Shibata; Shin-ichi Sasa

    1997-10-30

    An equilibrium reversible cycle with a certain engine to transduce the energy of any chemical reaction into mechanical energy is proposed. The efficiency for chemical energy transduction is also defined so as to be compared with Carnot efficiency. Relevance to the study of protein motors is discussed. KEYWORDS: Chemical thermodynamics, Engine, Efficiency, Molecular machine.

  17. HARVARD UNIVERSITY CHEMICAL BIOLOGY

    E-Print Network [OSTI]

    Church, George M.

    HARVARD UNIVERSITY CHEMICAL BIOLOGY PHD PROGRAM 2013-2014 Student Handbook #12;Program Contacts at the beginning of each semester. Laboratory Rotations Students in the Chemical Biology Program are expected an interest in having Chemical Biology Program Students in their labs. Students may rotate in the labs

  18. Stabilized chromium oxide film

    DOE Patents [OSTI]

    Garwin, Edward L. (Los Altos, CA); Nyaiesh, Ali R. (Palo Alto, CA)

    1988-01-01

    Stabilized air-oxidized chromium films deposited on high-power klystron ceramic windows and sleeves having a thickness between 20 and 150.ANG. are useful in lowering secondary electron emission yield and in avoiding multipactoring and window failure due to overheating. The ceramic substrate for the film is chosen from alumina, sapphire or beryllium oxide.

  19. Stabilized chromium oxide film

    DOE Patents [OSTI]

    Nyaiesh, A.R.; Garwin, E.L.

    1986-08-04

    Stabilized air-oxidized chromium films deposited on high-power klystron ceramic windows and sleeves having a thickness between 20 and 150A are useful in lowering secondary electron emission yield and in avoiding multipactoring and window failure due to overheating. The ceramic substrate for the film is chosen from alumina, sapphire or beryllium oxide.

  20. Comparison of the Catalytic Oxidation Reaction on Graphene Oxide and Reduced Graphene Oxide

    E-Print Network [OSTI]

    Kim, Sehun

    Comparison of the Catalytic Oxidation Reaction on Graphene Oxide and Reduced Graphene Oxide catalytic systems.12,13 On the other hand, the reduced graphene oxide (rGO) is functionalized graphene Laboratory (PAL), Pohang 790-784, Republic of Korea ABSTRACT: The capacities of graphene oxide (GO

  1. Electrodepositionof Metal Alloyand Mixed Oxide Films Usinga Single-PrecursorTetranuclearCopper-NickelComplex

    E-Print Network [OSTI]

    Kounaves, Samuel P.

    coatings, nanostructurally designed materials with unique mechanical and electronic properties, methanol oxidation, and coal liquefactionJ '2The syn- thesis of bimetallic alloys and oxides is much more-known catalysts for some useful chemical processes ~'2'5and have superior corrosion properties when compared

  2. Effects of additives on the activity and selectivity of supported vanadia catalysts for the oxidative

    E-Print Network [OSTI]

    Iglesia, Enrique

    for the oxidative dehydrogenation of propane Hongxing Dai* , Larry Chen* , T. Don Tilley** , Enrique Iglesia of Chemistry** and Chemical Engineering*, Berkeley, CA 94720, U.S.A. ABSTRACT The activity and selectivity of alumina- and magnesia-supported vanadia for propane oxidative dehydrogenation can be enhanced by can

  3. Poly(cyclohexylethylene)-block-poly(ethylene oxide) block polymers for metal oxide templating

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

    Schulze, Morgan W.; Sinturel, Christophe; Hillmyer, Marc A.

    2015-09-01

    A series of poly(cyclohexylethylene)-block-poly(ethylene oxide) (CEO) diblock copolymers were synthesized through tandem anionic polymerizations and heterogeneous catalytic hydrogenation. Solvent-annealed CEO diblock films were used to template dense arrays of inorganic oxide nanodots via simple spin coating of an inorganic precursor solution atop the ordered film. The substantial chemical dissimilarity of the two blocks enables (i) selective inclusion of the inorganic precursor within the PEO domain and (ii) the formation of exceptionally small feature sizes due to a relatively large interaction parameter estimated from mean-field analysis of the order–disorder transition temperatures of compositionally symmetric samples. UV/ozone treatment following incorporation produces anmore »ordered arrangement of oxide nanodots and simultaneously removes the block polymer template. However, we report the smallest particles (6 ± 1 nm) templated from a selective precursor insertion method to date using a block polymer scaffold.« less

  4. Effect of atmosphere change paths on the induced chemical expansion Valentin O.

    E-Print Network [OSTI]

    Boyer, Edmond

    ]. The same phenomenon is observed in other applications of non- stoichiometric oxide such as Solid Oxide Fuel Cells (SOFC) [Yakabe2003, Fu2006]. In the POM process, the oxygen activity through the membrane may vary] for SOFC, proposed a numerical simulation model to analyse in steady state the chemical and thermal

  5. Chemical Hygiene and Safety Plan

    E-Print Network [OSTI]

    Ricks Editor, R.

    2009-01-01

    V. , Ed. , Safety in the Chemical Laboratory. J. Chem.£d. Amer/can Chemical Society. Easlon. PA. 18042. Vol. Lof Laboratory Safety. the Chemical Rubber Company Cleveland.

  6. Siphons in Chemical Reaction Networks

    E-Print Network [OSTI]

    Shiu, Anne; Sturmfels, Bernd

    2010-01-01

    strongly-connected chemical reaction, and the compu- tationcredited. Siphons in Chemical Reaction Networks Referencesto persistence analysis in chemical reaction networks. In:

  7. Three Packets of Minerals of the Periodic Table of Chemical Elements and Chemical Compounds

    E-Print Network [OSTI]

    Mikhail M. Labushev

    2013-03-20

    The concepts of alpha- and beta-packets of the periodic table of chemical elements and chemical compounds are defined. The first of the 47 minerals alpha-packets is composed. In it all minerals are arranged in increasing Iav index of proportionality of atomic weights of composing chemical elements, the same way as chemical elements are located in increasing atomic weights in the Periodic table. The packet includes 93 known minerals and two compounds - N2O5 and CO2 - being actually minerals. Beta-packet of oxides and hydroxides minerals includes 88 known minerals and five chemical compounds - N2O5, CO2, CO, SO3 and SO2. Two minerals of the packet have not been determined yet. Besides, beta-packet of minerals with sulfur, selenium or arsenic is composed, with one mineral not defined yet. The results of the calculations can be used for further development of the Periodic Table of Chemical Elements and Chemical Compounds and their properties investigation.

  8. Three Packets of Minerals of the Periodic Table of Chemical Elements and Chemical Compounds

    E-Print Network [OSTI]

    Labushev, Mikhail M

    2013-01-01

    The concepts of alpha- and beta-packets of the periodic table of chemical elements and chemical compounds are defined. The first of the 47 minerals alpha-packets is composed. In it all minerals are arranged in increasing Iav index of proportionality of atomic weights of composing chemical elements, the same way as chemical elements are located in increasing atomic weights in the Periodic table. The packet includes 93 known minerals and two compounds - N2O5 and CO2 - being actually minerals. Beta-packet of oxides and hydroxides minerals includes 88 known minerals and five chemical compounds - N2O5, CO2, CO, SO3 and SO2. Two minerals of the packet have not been determined yet. Besides, beta-packet of minerals with sulfur, selenium or arsenic is composed, with one mineral not defined yet. The results of the calculations can be used for further development of the Periodic Table of Chemical Elements and Chemical Compounds and their properties investigation.

  9. Method of removing oxidized contaminants from water

    DOE Patents [OSTI]

    Amonette, J.E.; Fruchter, J.S.; Gorby, Y.A.; Cole, C.R.; Cantrell, K.J.; Kaplan, D.I.

    1998-07-21

    The present invention is a method for removing oxidized contaminant(s) from water. More specifically, the invention has the steps of contacting water containing the oxidized contaminant(s) with a layered aluminosilicate having Fe(II). The aluminosilicate may contain naturally occurring Fe(II), or the Fe(II) may be produced by reducing Fe(III) that is initially present. Reduction may be either by exposure to a chemical or biological reductant. Contacting the water containing oxidized contaminant(s) may be by (1) injection of Fe(II)-containing layered aluminosilicate, via a well, into a saturated zone where it is likely to intercept the contaminated water; (2) injection of contaminated water into a vessel containing the Fe(II)-bearing layered aluminosilicate; and (3) first reducing Fe(III) in the layered aluminosilicate to Fe(II) by injection of a biological or chemical reductant, into an aquifer or vessel having sufficient Fe(III)-bearing aluminosilicate to produce the necessary Fe(II). 8 figs.

  10. Method of removing oxidized contaminants from water

    DOE Patents [OSTI]

    Amonette, James E. (Richland, WA); Fruchter, Jonathan S. (Richland, WA); Gorby, Yuri A. (Richland, WA); Cole, Charles R. (West Richmond, WA); Cantrell, Kirk J. (West Richmond, WA); Kaplan, Daniel I. (Richland, WA)

    1998-01-01

    The present invention is a method for removing oxidized contaminant(s) from water. More specifically, the invention has the steps of contacting water containing the oxidized contaminant(s) with a layered aluminosilicate having Fe(II). The aluminosilicate may contain naturally occurring Fe(II), or the Fe(II) may be produced by reducing Fe(III) that is initially present. Reduction may be either by exposure to a chemical or biological reductant. Contacting the water containing oxidized contaminant(s) may be by (1) injection of Fe(II)-containing layered aluminosilicate, via a well, into a saturated zone where it is likely to intercept the contaminated water; (2) injection of contaminated water into a vessel containing the Fe(II)-bearing layered aluminosilicate; and (3) first reducing Fe(III) in the layered aluminosilicate to Fe(II) by injection of a biological or chemical reductant, into an aquifer or vessel having sufficient Fe(III)-bearing aluminosilicate to produce the necessary Fe(II).

  11. Preparation and Characterization of Graphene Oxide Paper

    SciTech Connect (OSTI)

    Dikin,D.; Stankovich, S.; Zimney, E.; Piner, R.; Dommett, G.; Evmenenko, G.; Nguyen, S.; Ruoff, R.

    2007-01-01

    Free-standing paper-like or foil-like materials are an integral part of our technological society. Their uses include protective layers, chemical filters, components of electrical batteries or supercapacitors, adhesive layers, electronic or optoelectronic components, and molecular storage. Inorganic 'paper-like' materials based on nanoscale components such as exfoliated vermiculite or mica platelets have been intensively studied and commercialized as protective coatings, high-temperature binders, dielectric barriers and gas-impermeable membranes. Carbon-based flexible graphite foils composed of stacked platelets of expanded graphite have long been used in packing and gasketing applications because of their chemical resistivity against most media, superior sealability over a wide temperature range, and impermeability to fluids. The discovery of carbon nanotubes brought about bucky paper, which displays excellent mechanical and electrical properties that make it potentially suitable for fuel cell and structural composite applications. Here we report the preparation and characterization of graphene oxide paper, a free-standing carbon-based membrane material made by flow-directed assembly of individual graphene oxide sheets. This new material outperforms many other paper-like materials in stiffness and strength. Its combination of macroscopic flexibility and stiffness is a result of a unique interlocking-tile arrangement of the nanoscale graphene oxide sheets.

  12. Chemical Regulatory Reporting Worksheet Chemical Name CAS

    E-Print Network [OSTI]

    Entekhabi, Dara

    Acrylamide 79-06-1 Aluminum (powder) 7429-90-5 Ammonia (gas) 7664-41-7 Ammonium nitrate, solid 6484(2-chloroethylthio)-n-propane 63905-10-2 Cadmium oxide 1306-19-0 Carbon dioxide (gas) 124

  13. Wyss Institute Chemical Hygiene Plan CHEMICAL HYGIENE PLAN

    E-Print Network [OSTI]

    Napp, Nils

    Wyss Institute Chemical Hygiene Plan CHEMICAL HYGIENE PLAN The Wyss Institute for Biologically Inspired Engineering June 2015 #12;Wyss Institute Chemical Hygiene Plan TABLE OF CONTENTS 1.0 POLICY..........................................................................................2 2.1 CHEMICAL HYGIENE OFFICER

  14. Wide range modeling study of dimethyl ether oxidation

    SciTech Connect (OSTI)

    Pitz, W.J.; Marinov, N.M.; Westbrook, C.K.; Dagaut, P.; Boettner, J-C; Cathonnet, M.

    1997-04-01

    A detailed chemical kinetic model has been used to study dimethyl ether (DME) oxidation over a wide range of conditions. Experimental results obtained in a jet-stirred reactor (JSR) at I and 10 atm, 0.2 < 0 < 2.5, and 800 < T < 1300 K were modeled, in addition to those generated in a shock tube at 13 and 40 bar, 0 = 1.0 and 650 :5 T :5 1300 K. The JSR results are particularly valuable as they include concentration profiles of reactants, intermediates and products pertinent to the oxidation of DME. These data test the Idnetic model severely, as it must be able to predict the correct distribution and concentrations of intermediate and final products formed in the oxidation process. Additionally, the shock tube results are very useful, as they were taken at low temperatures and at high pressures, and thus undergo negative temperature dependence (NTC) behavior. This behavior is characteristic of the oxidation of saturated hydrocarbon fuels, (e.g. the primary reference fuels, n-heptane and iso- octane) under similar conditions. The numerical model consists of 78 chemical species and 336 chemical reactions. The thermodynamic properties of unknown species pertaining to DME oxidation were calculated using THERM.

  15. Nitrogen oxidizing in modeling of diesel engine operation

    SciTech Connect (OSTI)

    Kulakov, V.; Merker, G.

    1995-12-31

    A computer model of diesel engine operation based on the interconnected calculation of diesel fuel spray and the processes in the combustion chamber is extended for the calculation of Nitrogen oxidizing. A number of chemical reactions with O{sub 2}, O, N{sub 2}, N, NO, OH, H, H{sub 2} are included in the model.

  16. Electronically conductive ceramics for high temperature oxidizing environments

    DOE Patents [OSTI]

    Kucera, Gene H. (Downers Grove, IL); Smith, James L. (Lemont, IL); Sim, James W. (Evergreen Park, IL)

    1986-01-01

    A high temperature, ceramic composition having electronic conductivity as measured by resistivity below about 500 ohm-cm, chemical stability particularly with respect to cathode conditions in a molten carbonate fuel cell, and composed of an alkali metal, transition metal oxide containing a dopant metal in the crystalline structure to replace a portion of the alkali metal or transition metal.

  17. Electronically conductive ceramics for high temperature oxidizing environments

    DOE Patents [OSTI]

    Kucera, G.H.; Smith, J.L.; Sim, J.W.

    1983-11-10

    This invention pertains to a high temperature, ceramic composition having electronic conductivity as measured by resistivity below about 500 ohm-cm, chemical stability particularly with respect to cathode conditions in a molten carbonate fuel cell, and composed of an alkali metal, transition metal oxide containing a dopant metal in the crystalline structure to replace a portion of the alkali metal or transition metal.

  18. Metal Oxide Semiconductor Gas Sensors and Neural Networks

    E-Print Network [OSTI]

    Siegel, Mel

    Olfaction Metal Oxide Semiconductor Gas Sensors and Neural Networks M. W. Siegel Carnegie Mellon around a chemical plant, sniffing as it goes for gas leaks (or the vapors of liquid leaks), navigating perhaps directed to the offending pipe fissure or open valve by acoustic homing toward the source

  19. Multimetal Oxide Catalysts DOI: 10.1002/anie.200902574

    E-Print Network [OSTI]

    Goddard III, William A.

    that the MoVTeNbO catalyst which exhibits high activity for ammoxidation of propane to acrylonitrile consists of propane to acrolein and acrylic acid as well as the oxidation of various alcohols.[1a,4] Mo3VOx, which, III Materials and Process Simulation Center, Division of Chemistry and Chemical Engineering

  20. Method of producing adherent metal oxide coatings on metallic surfaces

    DOE Patents [OSTI]

    Lane, Michael H. (Clifton Park, NY); Varrin, Jr., Robert D. (McLean, VA)

    2001-01-01

    Provided is a process of producing an adherent synthetic corrosion product (sludge) coating on metallic surfaces. The method involves a chemical reaction between a dry solid powder mixture of at least one reactive metal oxide with orthophosphoric acid to produce a coating in which the particles are bound together and the matrix is adherent to the metallic surface.

  1. Particulate emissions from commercial shipping: Chemical, physical, and optical properties

    E-Print Network [OSTI]

    regulation of fuel quality or pollution emissions; domestic fleets serve coastal shipping, resource products of fuel combustion from shipping (ranked on a mass basis) include nitrogen oxides (NOX), sulfurParticulate emissions from commercial shipping: Chemical, physical, and optical properties Daniel A

  2. Synthesis of graphene platelets by chemical and electrochemical route

    SciTech Connect (OSTI)

    Ramachandran, Rajendran; Felix, Sathiyanathan [Centre for Nanotechnology Research, VIT University, Vellore 632014, Tamil Nadu (India); Joshi, Girish M. [Materials Physics Division, School of Advanced Sciences, VIT University, Vellore 632014, Tamil Nadu (India); Raghupathy, Bala P.C., E-mail: balapraveen2000@yahoo.com [Centre for Nanotechnology Research, VIT University, Vellore 632014, Tamil Nadu (India); Research and Advanced Engineering Division (Materials), Renault Nissan Technology and Business Center India (P) Ltd., Chennai, Tamil Nadu (India); Jeong, Soon Kwan, E-mail: jeongsk@kier.re.kr [Climate Change Technology Research Division, Korea Institute of Energy Research, Yuseong-gu, Daejeon 305-343 (Korea, Republic of); Grace, Andrews Nirmala, E-mail: anirmalagrace@vit.ac.in [Centre for Nanotechnology Research, VIT University, Vellore 632014, Tamil Nadu (India); Climate Change Technology Research Division, Korea Institute of Energy Research, Yuseong-gu, Daejeon 305-343 (Korea, Republic of)

    2013-10-15

    Graphical abstract: A schematic showing the overall reduction process of graphite to reduced graphene platelets by chemical and electrochemical route. - Highlights: • Graphene was prepared by diverse routes viz. chemical and electrochemical methods. • NaBH{sub 4} was effective for removing oxygen functional groups from graphene oxide. • Sodium borohydride reduced graphene oxide (SRGO) showed high specific capacitance. • Electrochemical rendered a cheap route for production of graphene in powder form. - Abstract: Graphene platelets were synthesized from graphene oxide by chemical and electrochemical route. Under the chemical method, sodium borohydride and hydrazine chloride were used as reductants to produce graphene. In this paper, a novel and cost effective electrochemical method, which can simplify the process of reduction on a larger scale, is demonstrated. The electrochemical method proposed in this paper produces graphene in powder form with good yield. The atomic force microscopic images confirmed that the graphene samples prepared by all the routes have multilayers of graphene. The electrochemical process provided a new route to make relatively larger area graphene sheets, which will have interest for further patterning applications. Attempt was made to quantify the quantum of reduction using cyclic voltammetry and choronopotentiometry techniques on reduced graphene samples. As a measure in reading the specific capacitance values, a maximum specific capacitance value of 265.3 F/g was obtained in sodium borohydride reduced graphene oxide.

  3. How do I work safely with chemicals in MIT laboratories?

    E-Print Network [OSTI]

    Herr, Hugh

    , Hazardous Waste Training, read Chemical Hygiene Plan · Lab Specific Training by your Disposal consideraPons · SecPon 14 Transport informaPon · SecPon 15 Regulatory informa) ­ White: Special Hazards such as Acid, Alkali, Corrosive, Oxidizer, Use No Water, Radioactive #12;Types

  4. NEPTUNIUM OXIDE PROCESSING

    SciTech Connect (OSTI)

    Jordan, J; Watkins, R; Hensel, S

    2009-05-27

    The Savannah River Site's HB-Line Facility completed a campaign in which fifty nine cans of neptunium oxide were produced and shipped to the Idaho National Laboratory in the 9975 shipping container. The neptunium campaign was divided into two parts: Part 1 which consisted of oxide made from H-Canyon neptunium solution which did not require any processing prior to conversion into an oxide, and Part 2 which consisted of oxide made from additional H-Canyon neptunium solutions which required processing to purify the solution prior to conversion into an oxide. The neptunium was received as a nitrate solution and converted to oxide through ion-exchange column extraction, precipitation, and calcination. Numerous processing challenges were encountered in order make a final neptunium oxide product that could be shipped in a 9975 shipping container. Among the challenges overcome was the issue of scale: translating lab scale production into full facility production. The balance between processing efficiency and product quality assurance was addressed during this campaign. Lessons learned from these challenges are applicable to other processing projects.

  5. Extent of Reduction of Vanadium Oxides during Catalytic Oxidation of Alkanes Measured by in-Situ UV-Visible Spectroscopy

    E-Print Network [OSTI]

    Iglesia, Enrique

    of Chemical Engineering, UniVersity of California, Berkeley, California 94720-1462 ReceiVed: August 19, 2003 of active centers in VOx/- Al2O3 during oxidative dehydrogenation (ODH) of propane. Prevalent extents+ suboxides. Surface oxygen atoms are the most abundant reactive intermediates during propane ODH

  6. Structures and Properties of Zirconia-Supported Ruthenium Oxide Catalysts for the Selective Oxidation of Methanol to Methyl Formate

    E-Print Network [OSTI]

    Iglesia, Enrique

    Structures and Properties of Zirconia-Supported Ruthenium Oxide Catalysts for the Selective Species, College of Chemistry and Molecular Engineering, Green Chemistry Center, Peking UniVersity, Beijing 100871, China, and Department of Chemical Engineering, UniVersity of California at Berkeley

  7. Reactor process using metal oxide ceramic membranes

    DOE Patents [OSTI]

    Anderson, M.A.

    1994-05-03

    A reaction vessel for use in photoelectrochemical reactions includes as its reactive surface a metal oxide porous ceramic membrane of a catalytic metal such as titanium. The reaction vessel includes a light source and a counter electrode. A provision for applying an electrical bias between the membrane and the counter electrode permits the Fermi levels of potential reaction to be favored so that certain reactions may be favored in the vessel. The electrical biasing is also useful for the cleaning of the catalytic membrane. Also disclosed is a method regenerating a porous metal oxide ceramic membrane used in a photoelectrochemical catalytic process by periodically removing the reactants and regenerating the membrane using a variety of chemical, thermal, and electrical techniques. 2 figures.

  8. Reactor process using metal oxide ceramic membranes

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI)

    1994-01-01

    A reaction vessel for use in photoelectrochemical reactions includes as its reactive surface a metal oxide porous ceramic membrane of a catalytic metal such as titanium. The reaction vessel includes a light source and a counter electrode. A provision for applying an electrical bias between the membrane and the counter electrode permits the Fermi levels of potential reaction to be favored so that certain reactions may be favored in the vessel. The electrical biasing is also useful for the cleaning of the catalytic membrane. Also disclosed is a method regenerating a porous metal oxide ceramic membrane used in a photoelectrochemical catalytic process by periodically removing the reactants and regenerating the membrane using a variety of chemical, thermal, and electrical techniques.

  9. Plasma enhanced chemical vapor deposited silicon coatings on Mg alloy for biomedical application

    E-Print Network [OSTI]

    Zheng, Yufeng

    Plasma enhanced chemical vapor deposited silicon coatings on Mg alloy for biomedical application M was prepared by plasma enhanced chemical vapor deposition (PECVD) of SiH4 on WE43 alloy for biomedical [6], magnetron sputtering [7], alkaline heat treatment [8], micro-arc oxidation [9

  10. Oxidative Tritium Decontamination System

    DOE Patents [OSTI]

    Gentile, Charles A. (Plainsboro, NJ), Guttadora, Gregory L. (Highland Park, NJ), Parker, John J. (Medford, NJ)

    2006-02-07

    The Oxidative Tritium Decontamination System, OTDS, provides a method and apparatus for reduction of tritium surface contamination on various items. The OTDS employs ozone gas as oxidizing agent to convert elemental tritium to tritium oxide. Tritium oxide vapor and excess ozone gas is purged from the OTDS, for discharge to atmosphere or transport to further process. An effluent stream is subjected to a catalytic process for the decomposition of excess ozone to diatomic oxygen. One of two configurations of the OTDS is employed: dynamic apparatus equipped with agitation mechanism and large volumetric capacity for decontamination of light items, or static apparatus equipped with pressurization and evacuation capability for decontamination of heavier, delicate, and/or valuable items.

  11. 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.

  12. Chemical Cleaning Program Review

    Office of Environmental Management (EM)

    Chemical Cleaning Program Review Neil Davis Deputy Program Manager Waste Removal & Tank Closure July 29, 2009 SRR-STI-2009-00464 2 Contents Regulatory drivers Process overview...

  13. Apparatus for chemical synthesis

    DOE Patents [OSTI]

    Kong, Peter C. (Idaho Falls, ID); Herring, J. Stephen (Idaho Falls, ID); Grandy, Jon D. (Idaho Falls, ID)

    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.

  14. Controlled CO preferential oxidation

    DOE Patents [OSTI]

    Meltser, M.A.; Hoch, M.M.

    1997-06-10

    Method is described for controlling the supply of air to a PROX (PReferential OXidation for CO cleanup) reactor for the preferential oxidation in the presence of hydrogen wherein the concentration of the hydrogen entering and exiting the PROX reactor is monitored, the difference there between correlated to the amount of air needed to minimize such difference, and based thereon the air supply to the PROX reactor adjusted to provide such amount and minimize such difference. 2 figs.

  15. Computational studies of polysiloxanes : oxidation potentials and decomposition reactions.

    SciTech Connect (OSTI)

    Assary, R. S.; Curtiss, L. A.; Redfern, P. C.; Zhang, Z.; Amine, K.

    2011-06-23

    Silicon-containing solvents have tremendous potential for application as electrolytes for electrical energy storage devices such as lithium-ion (air) batteries and supercapacitors. Quantum chemical methods were employed to investigate trends in oxidation potentials and decomposition reactions of a series of polysiloxanes. Various electron-donating and -withdrawing substituents can be used to tune the oxidation potential in shorter chain siloxanes but not in longer ones. Decomposition reactions of siloxanes in their oxidized states were investigated and compared against their carbon analogues. These studies suggest that the Si-O group provides added stability for siloxanes over their carbon analogues. Computational studies have also been performed for various disiloxanes and siloxanes with spacer groups to understand their thermochemical stability and oxidation potentials.

  16. Oxidation of palladium on Au(111) and ZnO(0001) supports

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

    Lallo, J.; Tenney, S. A.; Kramer, A.; Sutter, P.; Batzill, M.

    2014-10-21

    The oxidation of supported Pd-deposits on Au(111) and ZnO(0001) single crystals has been studied by x- ray photoemission spectroscopy (XPS). Oxidation has been carried out ex-situ in a high-pressure cell with subsequent vacuum-transfer and characterization by XPS in ultrahigh vacuum (UHV), as well as using in-situ characterization by synchrotron based near-ambient pressure XPS. On Au(111) alloying of Pd with the substrate competes with oxidation and only sufficiently thick Pd films have been found to oxidize. For Pd on ZnO the oxidation conditions depend on the amount of deposited Pd. Thicker Pd deposits behave similar to bulk Pd, while thinner filmsmore »oxidize already at lower temperatures. Interestingly, for very small amounts of Pd, in-situ XPS shows full oxidation at room temperature and at less than 0.6 mbar O? pressure. This indicates a lowering of the kinetic barriers for oxidation of very small supported Pd-clusters. The formed oxide is, however, not stable in UHV and a slow reduction is observed. The instability of this oxide indicates that the Pd-oxide formed at the interface to ZnO may have different chemical properties compared to bulk PdO or surface oxides on Pd.« less

  17. Oxidation of palladium on Au(111) and ZnO(0001) supports

    SciTech Connect (OSTI)

    Lallo, J.; Tenney, S. A.; Kramer, A.; Sutter, P.; Batzill, M.

    2014-10-21

    The oxidation of supported Pd-deposits on Au(111) and ZnO(0001) single crystals has been studied by x- ray photoemission spectroscopy (XPS). Oxidation has been carried out ex-situ in a high-pressure cell with subsequent vacuum-transfer and characterization by XPS in ultrahigh vacuum (UHV), as well as using in-situ characterization by synchrotron based near-ambient pressure XPS. On Au(111) alloying of Pd with the substrate competes with oxidation and only sufficiently thick Pd films have been found to oxidize. For Pd on ZnO the oxidation conditions depend on the amount of deposited Pd. Thicker Pd deposits behave similar to bulk Pd, while thinner films oxidize already at lower temperatures. Interestingly, for very small amounts of Pd, in-situ XPS shows full oxidation at room temperature and at less than 0.6 mbar O? pressure. This indicates a lowering of the kinetic barriers for oxidation of very small supported Pd-clusters. The formed oxide is, however, not stable in UHV and a slow reduction is observed. The instability of this oxide indicates that the Pd-oxide formed at the interface to ZnO may have different chemical properties compared to bulk PdO or surface oxides on Pd.

  18. Oxidation of palladium on Au(111) and ZnO(0001) supports

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

    Batzill, M. [Univ. of South Florida, Tampa, FL (United States); Sutter, P. [Brookhaven National Lab. (BNL), Upton, NY (United States); Lallo, J. [Univ. of South Florida, Tampa, FL (United States); Tenney, S. A. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-10-21

    The oxidation of supported Pd-deposits on Au(111) and ZnO(0001) single crystals has been studied by x- ray photoemission spectroscopy (XPS). Oxidation has been carried out ex-situ in a high-pressure cell with subsequent vacuum-transfer and characterization by XPS in ultrahigh vacuum (UHV), as well as using in-situ characterization by synchrotron based near-ambient pressure XPS. On Au(111) alloying of Pd with the substrate competes with oxidation and only sufficiently thick Pd films have been found to oxidize. For Pd on ZnO the oxidation conditions depend on the amount of deposited Pd. Thicker Pd deposits behave similar to bulk Pd, while thinner films oxidize already at lower temperatures. Interestingly, for very small amounts of Pd, in-situ XPS shows full oxidation at room temperature and at less than 0.6 mbar O? pressure. This indicates a lowering of the kinetic barriers for oxidation of very small supported Pd-clusters. The formed oxide is, however, not stable in UHV and a slow reduction is observed. The instability of this oxide indicates that the Pd-oxide formed at the interface to ZnO may have different chemical properties compared to bulk PdO or surface oxides on Pd.

  19. Tortuous path chemical preconcentrator

    DOE Patents [OSTI]

    Manginell, Ronald P. (Albuquerque, NM); Lewis, Patrick R. (Albuquerque, NM); Adkins, Douglas R. (Albuquerque, NM); Wheeler, David R. (Albuquerque, NM); Simonson, Robert J. (Cedar Crest, NM)

    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.

  20. PhD Chemical Engineering MS Chemical Engineering

    E-Print Network [OSTI]

    Collins, Gary S.

    1 PhD Chemical Engineering MS Chemical Engineering Bylaws Gene and Linda Voiland School of Chemical Engineering and Bioengineering College of Engineering and Architecture Approved by Voiland School facultyD Chemical Engineering, MS Chemical Engineering B. Discipline: Edgar, et al.1 provide a succinct description

  1. Use of ion conductors in the pyrochemical reduction of oxides

    DOE Patents [OSTI]

    Miller, W.E.; Tomczuk, Z.

    1994-02-01

    An electrochemical process and electrochemical cell for reducing a metal oxide are provided. First the oxide is separated as oxygen gas using, for example, a ZrO[sub 2] oxygen ion conductor anode and the metal ions from the reduction salt are reduced and deposited on an ion conductor cathode, for example, sodium ion reduced on a [beta]-alumina sodium ion conductor cathode. The generation of and separation of oxygen gas avoids the problem with chemical back reaction of oxygen with active metals in the cell. The method also is characterized by a sequence of two steps where an inert cathode electrode is inserted into the electrochemical cell in the second step and the metallic component in the ion conductor is then used as the anode to cause electrochemical reduction of the metal ions formed in the first step from the metal oxide where oxygen gas formed at the anode. The use of ion conductors serves to isolate the active components from chemically reacting with certain chemicals in the cell. While applicable to a variety of metal oxides, the invention has special importance for reducing CaO to Ca[sup o] used for reducing UO[sub 2] and PuO[sub 2] to U and Pu. 2 figures.

  2. Three-dimensional mapping of nickel oxidation states using full field x-ray absorption near edge structure nanotomography

    SciTech Connect (OSTI)

    Nelson, George J.; Harris, William M.; Izzo, John R. Jr.; Grew, Kyle N.; Chiu, Wilson K. S. [HeteroFoaM Center, a DOE Energy Frontier Research Center, Department of Mechanical Engineering, University of Connecticut, 191 Auditorium Rd., Storrs, Connecticut 06269-3139 (United States); Chu, Yong S. [National Synchrotron Light Source II, Brookhaven National Laboratory, Bldg. 703 Upton, New York 11973-5000 (United States); Yi, Jaemock [Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Ave., Bldg. 438-B007 Argonne, Illinois 60439 (United States); Andrews, Joy C.; Liu Yijin; Pianetta, Piero [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Rd., MS 69 Menlo Park, California 94025 (United States)

    2011-04-25

    The reduction-oxidation cycling of the nickel-based oxides in composite solid oxide fuel cells and battery electrodes is directly related to cell performance. A greater understanding of nickel redox mechanisms at the microstructural level can be achieved in part using transmission x-ray microscopy (TXM) to explore material oxidation states. X-ray nanotomography combined with x-ray absorption near edge structure (XANES) spectroscopy has been applied to study samples containing distinct regions of nickel and nickel oxide (NiO) compositions. Digitally processed images obtained using TXM demonstrate the three-dimensional chemical mapping and microstructural distribution capabilities of full-field XANES nanotomography.

  3. Oxidation of propylene over copper oxide catalysts 

    E-Print Network [OSTI]

    Billingsley, David Stuart

    1958-01-01

    are to be found in the patent literature which is often not particularly informative. Discussion of this material has, therefore been reserved for a subsequent section of this survey. If view of the considerable activity in most phases of the petro- chemicals... to have a bearing on this work and which provided sufficient information to be helpful in determining roughly what could be expected of different catalysts. In many of the patents surveyed, observed conversions of olefins to various products were...

  4. Association Behavior of Biotinylated and Non-Biotinylated PolyEthylene Oxide-b-Poly(2-(Diethylamino)Ethyl Methacrylate)

    E-Print Network [OSTI]

    Tan, J. F.

    Biotinylated and non-biotinylated copolymers of ethylene oxide (EO) and 2-(diethylamino)ethyl methacrylate (DEAEMA) were synthesized by the atom transfer radical polymerization technique (ATRP). The chemical compositions ...

  5. Low-temperature germanium ultra-high vacuum chemical vapor deposition for back-end photonic integration

    E-Print Network [OSTI]

    Kimerling, Lionel C.

    Polycrystalline germanium (poly-Ge) grown on amorphous Si (a-Si) by ultra-high vacuum chemical vapor deposition (UHVCVD) over oxide barriers at low temperatures (Tles450degC) exhibits a larger grain size and lower defect ...

  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. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, Shabbir (Bolingbrook, IL); Kumar, Romesh (Naperville, IL); Krumpelt, Michael (Naperville, IL)

    1999-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  8. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, Shabbir (Bolingbrook, IL); Kumar, Romesh (Naperville, IL); Krumpelt, Michael (Naperville, IL)

    2001-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  9. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-24

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  10. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-17

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  11. Tetraalykylammonium polyoxoanionic oxidation catalysts

    DOE Patents [OSTI]

    Ellis, Paul E. (Downingtown, PA); Lyons, James E. (Wallingford, PA); Myers, Jr., Harry K. (Cochranville, PA); Shaikh, Shahid N. (Media, PA)

    1998-01-01

    Alkanes are catalytically oxidized in air or oxygen using iron-substituted polyoxoanions (POAs) of the formula: H.sub.e-z ›(n-C.sub.4 H.sub.9).sub.4 N!.sub.z (XM.sub.11 M'O.sub.39).sup.-e The M' (e.g., iron(III)/iron(II)) reduction potential of the POAs is affected by selection of the central atom X and the framework metal M, and by the number of tetrabutyl-ammonium groups. Decreased Fe(III)/Fe(II) reduction potential has been found to correlate to increased oxidation activity.

  12. Tetraalklylammonium polyoxoanionic oxidation catalysts

    DOE Patents [OSTI]

    Ellis, P.E.; Lyons, J.E.; Myers, H.K. Jr.; Shaikh, S.N.

    1998-10-06

    Alkanes are catalytically oxidized in air or oxygen using iron-substituted polyoxoanions (POAs) of the formula: H{sub e{minus}z}[(n-C{sub 4}H{sub 9}){sub 4}N]{sub z}(XM{sub 11}M{prime}O{sub 39}){sup {minus}e}. The M{prime} (e.g., iron(III)/iron(II)) reduction potential of the POAs is affected by selection of the central atom X and the framework metal M, and by the number of tetrabutyl-ammonium groups. Decreased Fe(III)/Fe(II) reduction potential has been found to correlate to increased oxidation activity.

  13. Oxidation of Mercury in Products of Coal Combustion

    SciTech Connect (OSTI)

    Peter Walsh; Giang Tong; Neeles Bhopatkar; Thomas Gale; George Blankenship; Conrad Ingram; Selasi Blavo Tesfamariam Mehreteab; Victor Banjoko; Yohannes Ghirmazion; Heng Ban; April Sibley

    2009-09-14

    Laboratory measurements of mercury oxidation during selective catalytic reduction (SCR) of nitric oxide, simulation of pilot-scale measurements of mercury oxidation and adsorption by unburned carbon and fly ash, and synthesis of new materials for simultaneous oxidation and adsorption of mercury, were performed in support of the development of technology for control of mercury emissions from coal-fired boilers and furnaces. Conversion of gas-phase mercury from the elemental state to water-soluble oxidized form (HgCl{sub 2}) enables removal of mercury during wet flue gas desulfurization. The increase in mercury oxidation in a monolithic V{sub 2}O{sub 5}-WO{sub 3}/TiO{sub 2} SCR catalyst with increasing HCl at low levels of HCl (< 10 ppmv) and decrease in mercury oxidation with increasing NH{sub 3}/NO ratio during SCR were consistent with results of previous work by others. The most significant finding of the present work was the inhibition of mercury oxidation in the presence of CO during SCR of NO at low levels of HCl. In the presence of 2 ppmv HCl, expected in combustion products from some Powder River Basin coals, an increase in CO from 0 to 50 ppmv reduced the extent of mercury oxidation from 24 {+-} 3 to 1 {+-} 4%. Further increase in CO to 100 ppmv completely suppressed mercury oxidation. In the presence of 11-12 ppmv HCl, increasing CO from 0 to {approx}120 ppmv reduced mercury oxidation from {approx}70% to 50%. Conversion of SO{sub 2} to sulfate also decreased with increasing NH{sub 3}/NO ratio, but the effects of HCl and CO in flue gas on SO{sub 2} oxidation were unclear. Oxidation and adsorption of mercury by unburned carbon and fly ash enables mercury removal in a particulate control device. A chemical kinetic mechanism consisting of nine homogeneous and heterogeneous reactions for mercury oxidation and removal was developed to interpret pilot-scale measurements of mercury oxidation and adsorption by unburned carbon and fly ash in experiments at pilot scale, burning bituminous coals (Gale, 2006) and blends of bituminous coals with Powder River Basin coal (Gale, 2005). The removal of mercury by fly ash and unburned carbon in the flue gas from combustion of the bituminous coals and blends was reproduced with satisfactory accuracy by the model. The enhancement of mercury capture in the presence of calcium (Gale, 2005) explained a synergistic effect of blending on mercury removal across the baghouse. The extent of mercury oxidation, on the other hand, was not so well described by the simulation, because of oversensitivity of the oxidation process in the model to the concentration of unburned carbon. Combined catalysts and sorbents for oxidation and removal of mercury from flue gas at low temperature were based on surfactant-templated silicas containing a transition metal and an organic functional group. The presence of both metal ions and organic groups within the pore structure of the materials is expected to impart to them the ability to simultaneously oxidize elemental mercury and adsorb the resulting oxidized mercury. Twelve mesoporous organosilicate catalysts/sorbents were synthesized, with and without metals (manganese, titanium, vanadium) and organic functional groups (aminopropyl, chloropropyl, mercaptopropyl). Measurement of mercury oxidation and adsorption by the candidate materials remains for future work.

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

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

    Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary...

  15. Metal-assisted chemical etch porous silicon formation method

    DOE Patents [OSTI]

    Li, Xiuling; Bohn, Paul W.; Sweedler, Jonathan V.

    2004-09-14

    A thin discontinuous layer of metal such as Au, Pt, or Au/Pd is deposited on a silicon surface. The surface is then etched in a solution including HF and an oxidant for a brief period, as little as a couple seconds to one hour. A preferred oxidant is H.sub.2 O.sub.2. Morphology and light emitting properties of porous silicon can be selectively controlled as a function of the type of metal deposited, Si doping type, silicon doping level, and/or etch time. Electrical assistance is unnecessary during the chemical etching of the invention, which may be conducted in the presence or absence of illumination.

  16. Safety Issues Chemical Storage

    E-Print Network [OSTI]

    Cohen, Robert E.

    Safety Issues · Chemical Storage ·Store in compatible containers that are in good condition to store separately. #12;Safety Issues · Flammable liquid storage -Store bulk quantities in flammable storage cabinets -UL approved Flammable Storage Refrigerators are required for cold storage · Provide

  17. Fuzzy Chemical Abstract Machines

    E-Print Network [OSTI]

    Syropoulos, Apostolos

    2009-01-01

    Fuzzy set theory opens new vistas in computability theory and here I show this by defining a new computational metaphor--the fuzzy chemical metaphor. This metaphor is an extension of the chemical metaphor. In particular, I introduce the idea of a state of a system as a solution of fuzzy molecules, that is molecules that are not just different but rather similar, that react according to a set of fuzzy reaction rules. These notions become precise by introducing fuzzy labeled transition systems. Solutions of fuzzy molecules and fuzzy reaction rules are used to define the general notion of a fuzzy chemical abstract machine, which is a {\\em realization} of the fuzzy chemical metaphor. Based on the idea that these machines can be used to describe the operational semantics of process calculi and algebras that include fuzziness as a fundamental property, I present a toy calculus that is a fuzzy equivalent of the $\\pi$-calculus.

  18. Chemical Processing White Papers

    E-Print Network [OSTI]

    Nair, Sankar

    hydrogen from hydrocarbon mixtures, and propylene from propane, and if scaled up, could cut the cost fibers as a platform," says Sankar Nair, a professor in the School of Chemical & Biomolecular Engineering

  19. 219-S chemical compatibility

    SciTech Connect (OSTI)

    GOODWIN, L.D.

    1999-08-31

    This document consists of tables of the materials that make up the ''wetted'' parts of the 219-S waste handling facility and a combination of manufacturer lists of chemicals that are not recommended.

  20. Chemical Hygiene Michigan State University

    E-Print Network [OSTI]

    Isaacs, Rufus

    Chemical Hygiene Plan Michigan State University Environmental Health and Safety Engineering 2014 #12;ii Michigan State University Chemical Hygiene Plan Table of Contents 1.0 SCOPE.................................................................................................... 1 1.4 HAZARDOUS CHEMICAL DEFINITIONS

  1. Chemical Hygiene and Safety Plan

    E-Print Network [OSTI]

    Ricks Editor, R.

    2009-01-01

    IUPAC) or the Chemical Abstracts Service (CA,S} -'lee ofTerms CAS Number Chemical Abstract Service registry number,is indicated. CAS Number: Chemical Abstract Service registry

  2. CHEMICAL ENGINEERING Program of Study

    E-Print Network [OSTI]

    Thomas, Andrew

    CHEMICAL ENGINEERING Program of Study Research Facilities Financial Aid Applying Correspondence The Department of Chemical Engineering and Biological Engineering has well-established programs at both area of chemical engineering and include both fundamental and applied topics. The Department has

  3. Mass Spectral Evidence That Small Changes in Composition Caused by Oxidative Aging Processes Alter Aerosol CCN Properties

    E-Print Network [OSTI]

    Mass Spectral Evidence That Small Changes in Composition Caused by Oxidative Aging Processes Alter that small changes in particle chemical composition caused by oxidation could increase the CCN activity increased cloud condensation nuclei (CCN) activity compared to their hydro- phobic counterparts. At present

  4. Characterization of Solid Oxide Fuel Cell Sealant Material G18 by Microindentation Alexandra Woldman, Cornell University, 2009 SURF Fellow

    E-Print Network [OSTI]

    Li, Mo

    Characterization of Solid Oxide Fuel Cell Sealant Material G18 by Microindentation Alexandra Milhans Introduction Solid oxide fuel cells (SOFC) require a hermetic seal between the fuel and air side life of the fuel cell. An ideal sealant is chemically compatible with neighboring fuel cell components

  5. Nanostructured transition metal oxides useful for water oxidation catalysis

    DOE Patents [OSTI]

    Frei, Heinz M; Jiao, Feng

    2013-12-24

    The present invention provides for a composition comprising a nanostructured transition metal oxide capable of oxidizing two H.sub.2O molecules to obtain four protons. In some embodiments of the invention, the composition further comprises a porous matrix wherein the nanocluster of the transition metal oxide is embedded on and/or in the porous matrix.

  6. Oxidative Reforming of Biodiesel Over Molybdenum (IV) Oxide

    E-Print Network [OSTI]

    Collins, Gary S.

    molybdenum dioxide displays excellent behavior as catalytic material for the oxidative reforming of bothOxidative Reforming of Biodiesel Over Molybdenum (IV) Oxide Jessica Whalen, Oscar Marin Flores, Su candidate as an effective catalyst for biodiesel. Few papers have been published on the topic of catalytic

  7. Inhibiting the interaction between FeO and Al2O3 during chemical looping production of hydrogen

    E-Print Network [OSTI]

    Liu, Wen; Ismail, Mohammad; Dunstan, Matthew T.; Hu, Wenting; Zhang, Zili; Fennel, Paul S.; Scott, Stuart A.; Dennis, J. S.

    2014-11-28

    Hydrogen of high purity can be produced by chemical looping using iron oxide as an oxygen carrier and making use of the reaction between steam and either iron or FeO. However, this process is viable only if the iron oxide can be cycled between...

  8. Doped zinc oxide microspheres

    DOE Patents [OSTI]

    Arnold, Jr., Wesley D. (Oak Ridge, TN); Bond, Walter D. (Knoxville, TN); Lauf, Robert J. (Oak Ridge, TN)

    1993-01-01

    A new composition and method of making same for a doped zinc oxide microsphere and articles made therefrom for use in an electrical surge arrestor which has increased solid content, uniform grain size and is in the form of a gel.

  9. Doped zinc oxide microspheres

    DOE Patents [OSTI]

    Arnold, W.D. Jr.; Bond, W.D.; Lauf, R.J.

    1993-12-14

    A new composition and method of making same for a doped zinc oxide microsphere and articles made therefrom for use in an electrical surge arrestor which has increased solid content, uniform grain size and is in the form of a gel. 4 figures.

  10. Conformations of Organophosphine Oxides

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

    De Silva, Nuwan; Zahariev, Federico; Hay, Benjamin P.; Gordon, Mark S.; Windus, Theresa L.

    2015-07-29

    The conformations of a series of organophosphine oxides, OP(CH3)2R, where R = methyl, ethyl, isopropyl, tert-butyl, vinyl, and phenyl, are predicted using the MP2/cc-pVTZ level of theory. Comparison of potential energy surfaces for rotation about P–C bonds with crystal structure data reveals a strong correlation between predicted location and energetics of minima and histograms of dihedral angle distributions observed in the solid state. In addition, the most stable conformers are those that minimize the extent of steric repulsion between adjacent rotor substituents, and the torsional barriers tend to increase with the steric bulk of the rotating alkyl group. MM3 forcemore »field parameters were adjusted to fit the MP2 results, providing a fast and accurate model for predicting organophosphine oxides shapes—an essential part of understanding the chemistry of these compounds. The predictive power of the modified MM3 model was tested against MP2/cc-pVTZ conformations for triethylphosphine oxide, OP(CH2CH3)3, and triphenylphosphine oxide, OP(Ph)3.« less

  11. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

    Repasky, John Michael; Carolan, Michael Francis; Stein, VanEric Edward; Chen, Christopher Ming-Poh

    2012-09-11

    Ion transport membrane oxidation system comprising (a) two or more membrane oxidation stages, each stage comprising a reactant zone, an oxidant zone, one or more ion transport membranes separating the reactant zone from the oxidant zone, a reactant gas inlet region, a reactant gas outlet region, an oxidant gas inlet region, and an oxidant gas outlet region; (b) an interstage reactant gas flow path disposed between each pair of membrane oxidation stages and adapted to place the reactant gas outlet region of a first stage of the pair in flow communication with the reactant gas inlet region of a second stage of the pair; and (c) one or more reactant interstage feed gas lines, each line being in flow communication with any interstage reactant gas flow path or with the reactant zone of any membrane oxidation stage receiving interstage reactant gas.

  12. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

    Repasky, John Michael; Carolan, Michael Francis; Stein, VanEric Edward; Chen, Christopher Ming-Poh

    2014-05-20

    Ion transport membrane oxidation system comprising (a) two or more membrane oxidation stages, each stage comprising a reactant zone, an oxidant zone, one or more ion transport membranes separating the reactant zone from the oxidant zone, a reactant gas inlet region, a reactant gas outlet region, an oxidant gas inlet region, and an oxidant gas outlet region; (b) an interstage reactant gas flow path disposed between each pair of membrane oxidation stages and adapted to place the reactant gas outlet region of a first stage of the pair in flow communication with the reactant gas inlet region of a second stage of the pair; and (c) one or more reactant interstage feed gas lines, each line being in flow communication with any interstage reactant gas flow path or with the reactant zone of any membrane oxidation stage receiving interstage reactant gas.

  13. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

    Repasky, John Michael; Carolan, Michael Francis; Stein, VanEric Edward; Chen, Christopher Ming-Poh

    2013-04-16

    Ion transport membrane oxidation system comprising (a) two or more membrane oxidation stages, each stage comprising a reactant zone, an oxidant zone, one or more ion transport membranes separating the reactant zone from the oxidant zone, a reactant gas inlet region, a reactant gas outlet region, an oxidant gas inlet region, and an oxidant gas outlet region; (b) an interstage reactant gas flow path disposed between each pair of membrane oxidation stages and adapted to place the reactant gas outlet region of a first stage of the pair in flow communication with the reactant gas inlet region of a second stage of the pair; and (c) one or more reactant interstage feed gas lines, each line being in flow communication with any interstage reactant gas flow path or with the reactant zone of any membrane oxidation stage receiving interstage reactant gas.

  14. Siphons in Chemical Reaction Networks

    E-Print Network [OSTI]

    Shiu, Anne; Sturmfels, Bernd

    2010-01-01

    source are credited. Siphons in Chemical Reaction Networksalgorithms for minimal siphons in Petri nets based on placewe characterize the minimal siphons of a chemical reaction

  15. Chemical interaction matrix between reagents in a Purex based process

    SciTech Connect (OSTI)

    Brahman, R.K.; Hennessy, W.P.; Paviet-Hartmann, P.

    2008-07-01

    The United States Department of Energy (DOE) is the responsible entity for the disposal of the United States excess weapons grade plutonium. DOE selected a PUREX-based process to convert plutonium to low-enriched mixed oxide fuel for use in commercial nuclear power plants. To initiate this process in the United States, a Mixed Oxide (MOX) Fuel Fabrication Facility (MFFF) is under construction and will be operated by Shaw AREVA MOX Services at the Savannah River Site. This facility will be licensed and regulated by the U.S. Nuclear Regulatory Commission (NRC). A PUREX process, similar to the one used at La Hague, France, will purify plutonium feedstock through solvent extraction. MFFF employs two major process operations to manufacture MOX fuel assemblies: (1) the Aqueous Polishing (AP) process to remove gallium and other impurities from plutonium feedstock and (2) the MOX fuel fabrication process (MP), which processes the oxides into pellets and manufactures the MOX fuel assemblies. The AP process consists of three major steps, dissolution, purification, and conversion, and is the center of the primary chemical processing. A study of process hazards controls has been initiated that will provide knowledge and protection against the chemical risks associated from mixing of reagents over the life time of the process. This paper presents a comprehensive chemical interaction matrix evaluation for the reagents used in the PUREX-based process. Chemical interaction matrix supplements the process conditions by providing a checklist of any potential inadvertent chemical reactions that may take place. It also identifies the chemical compatibility/incompatibility of the reagents if mixed by failure of operations or equipment within the process itself or mixed inadvertently by a technician in the laboratories. (aut0010ho.

  16. REVIEW OF PLUTONIUM OXIDATION LITERATURE

    SciTech Connect (OSTI)

    Korinko, P.

    2009-11-12

    A brief review of plutonium oxidation literature was conducted. The purpose of the review was to ascertain the effect of oxidation conditions on oxide morphology to support the design and operation of the PDCF direct metal oxidation (DMO) furnace. The interest in the review was due to a new furnace design that resulted in oxide characteristics that are different than those of the original furnace. Very little of the published literature is directly relevant to the DMO furnace operation, which makes assimilation of the literature data with operating conditions and data a convoluted task. The oxidation behavior can be distilled into three regimes, a low temperature regime (RT to 350 C) with a relatively slow oxidation rate that is influenced by moisture, a moderate temperature regime (350-450 C) that is temperature dependent and relies on more or less conventional oxidation growth of a partially protective oxide scale, and high temperature oxidation (> 500 C) where the metal autocatalytically combusts and oxidizes. The particle sizes obtained from these three regimes vary with the finest being from the lowest temperature. It is surmised that the slow growth rate permits significant stress levels to be achieved that help break up the oxides. The intermediate temperatures result in a fairly compact scale that is partially protective and that grows to critical thickness prior to fracturing. The growth rate in this regime may be parabolic or paralinear, depending on the oxidation time and consequently the oxide thickness. The high temperature oxidation is invariant in quiescent or nearly quiescent conditions due to gas blanketing while it accelerates with temperature under flowing conditions. The oxide morphology will generally consist of fine particles (<15 {micro}m), moderately sized particles (15 < x < 250 {micro}m) and large particles (> 250 {micro}m). The particle size ratio is expected to be < 5%, 25%, and 70% for fine, medium and large particles, respectively, for metal temperatures in the 500-600 C range.

  17. Doped palladium containing oxidation catalysts

    DOE Patents [OSTI]

    Mohajeri, Nahid

    2014-02-18

    A supported oxidation catalyst includes a support having a metal oxide or metal salt, and mixed metal particles thereon. The mixed metal particles include first particles including a palladium compound, and second particles including a precious metal group (PMG) metal or PMG metal compound, wherein the PMG metal is not palladium. The oxidation catalyst may also be used as a gas sensor.

  18. Atomic Resolution Imaging and Quantification of Chemical Functionality of Surfaces

    SciTech Connect (OSTI)

    Schwarz, Udo

    2014-12-10

    The work carried out from 2006-2014 under DoE support was targeted at developing new approaches to the atomic-scale characterization of surfaces that include species-selective imaging and an ability to quantify chemical surface interactions with site-specific accuracy. The newly established methods were subsequently applied to gain insight into the local chemical interactions that govern the catalytic properties of model catalysts of interest to DoE. The foundation of our work was the development of three-dimensional atomic force microscopy (3D-AFM), a new measurement mode that allows the mapping of the complete surface force and energy fields with picometer resolution in space (x, y, and z) and piconewton/millielectron volts in force/energy. From this experimental platform, we further expanded by adding the simultaneous recording of tunneling current (3D-AFM/STM) using chemically well-defined tips. Through comparison with simulations, we were able to achieve precise quantification and assignment of local chemical interactions to exact positions within the lattice. During the course of the project, the novel techniques were applied to surface-oxidized copper, titanium dioxide, and silicon oxide. On these materials, defect-induced changes to the chemical surface reactivity and electronic charge density were characterized with site-specific accuracy.

  19. Chemical Organization Theory as a Theoretical Base for Chemical Computing

    E-Print Network [OSTI]

    Dittrich, Peter

    Chemical Organization Theory as a Theoretical Base for Chemical Computing NAOKI MATSUMARU, FLORIAN-07743 Jena, Germany http://www.minet.uni-jena.de/csb/ Submitted 14 November 2005 In chemical computing- gramming chemical systems a theoretical method to cope with that emergent behavior is desired

  20. Chemical engineers design, control and optimize large-scale chemical,

    E-Print Network [OSTI]

    Rohs, Remo

    ) Principles of probability and statistics, random variables and random functions. Application to chemical) CHE 442 Chemical Reactor Analysis (3, Fa) Basic concepts of chemical kinetics and chemical reactor to Separation Pro- cesses (3, Sp) Use of equilibrium phase relations and principles of material and energy

  1. Chemical engineers design, control and optimize large-scale chemical,

    E-Print Network [OSTI]

    Rohs, Remo

    Introduction to Separation Processes (3, Sp) Use of equilibrium phase relations and principles of material by petition only. 405 Applications of Probability and Statistics for Chemical Engineers (3, Fa) Principles Chemical Reactor Analysis (3, Fa) Basic concepts of chemical kinetics and chemical reactor design

  2. Chemical Engineering Is Chemical Engineering right for me?

    E-Print Network [OSTI]

    Martin, Ralph R.

    Chemical Engineering Is Chemical Engineering right for me? If you are interested in the uses and processes surrounding the engineering of new and raw materials, a degree in Chemical Engineering may be well suited to you. The Chemical Engineering degree programme will focus on the development of products

  3. Voluntary cleanup of the Ames chemical disposal site.

    SciTech Connect (OSTI)

    Taboas, A. L.; Freeman, R.; Peterson, J.; Environmental Assessment; USDOE

    2003-01-01

    The U.S. Department of Energy completed a voluntary removal action at the Ames chemical disposal site, a site associated with the early days of the Manhattan Project. It contained chemical and low-level radioactive wastes from development of the technology to extract uranium from uranium oxide. The process included the preparation of a Remedial Investigation, Feasibility Study, Baseline Risk Assessment, and, ultimately, issuance of a Record of Decision. Various stakeholder groups were involved, including members of the regulatory community, the general public, and the landowner, Iowa State University. The site was restored and returned to the landowner for unrestricted use.

  4. Concentrated formulations and methods for neutralizing chemical and biological toxants

    DOE Patents [OSTI]

    Tucker, Mark D.; Betty, Rita G.; Tadros, Maher E.

    2004-04-20

    A formulation and method of making and using that neutralizes the adverse health effects of both chemical and biological toxants, especially chemical warfare (CW) and biological warfare (BW) agents. The aqueous formulation is non-toxic and non-corrosive and can be delivered as a long-lasting foam, spray, or fog. The formulation includes solubilizing compounds that serve to effectively render the CW or BW toxant susceptible to attack, so that a nucleophillic agent can attack the compound via a hydrolysis or oxidation reaction. The formulation can kill up to 99.99999% of bacterial spores within one hour of exposure.

  5. Chemical hazard evaluation of material disposal area (MDA) B closure project

    SciTech Connect (OSTI)

    Laul, Jagdish C

    2010-04-19

    TA-21, MDA-B (NES) is the 'contaminated dump,' landfill with radionuclides and chemicals from process waste disposed in 1940s. This paper focuses on chemical hazard categorization and hazard evaluation of chemicals of concern (e.g., peroxide, beryllium). About 170 chemicals were disposed in the landfill. Chemicals included products, unused and residual chemicals, spent, waste chemicals, non-flammable oils, mineral oil, etc. MDA-B was considered a High hazard site. However, based on historical records and best engineering judgment, the chemical contents are probably at best 5% of the chemical inventory. Many chemicals probably have oxidized, degraded or evaporated for volatile elements due to some fire and limited shelf-life over 60 yrs, which made it possible to downgrade from High to Low chemical hazard site. Knowing the site history and physical and chemical properties are very important in characterizing a NES site. Public site boundary is only 20 m, which is a major concern. Chemicals of concern during remediation are peroxide that can cause potential explosion and beryllium exposure due to chronic beryllium disease (CBD). These can be prevented or mitigated using engineering control (EC) and safety management program (SMP) to protect the involved workers and public.

  6. Perform Tests and Document Results and Analysis of Oxide Layer Effects and Comparisons

    SciTech Connect (OSTI)

    Collins, E. D. [ORNL; DelCul, G. D. [ORNL; Spencer, B. B. [ORNL; Hunt, R. D. [ORNL; Ausmus, C. [ORNL

    2014-08-30

    During the initial feasibility test using actual used nuclear fuel (UNF) cladding in FY 2012, an incubation period of 30–45 minutes was observed in the initial dry chlorination. The cladding hull used in the test had been previously oxidized in a dry air oxidation pretreatment prior to removal of the fuel. The cause of this incubation period was attributed to the resistance to chlorination of an oxide layer imparted by the dry oxidation pretreatment on the cladding. Subsequently in 2013, researchers at the Korea Atomic Energy Institute (KAERI) reported on their chlorination study [R1] on ~9-gram samples of unirradiated ZirloTM cladding tubes that had been previously oxidized in air at 500oC for various time periods to impart oxide layers of varying thickness. In early 2014, discussions with Indefinite Delivery, Indefinite Quantity (IDIQ) contracted technical consultants from Westinghouse described their previous development (and patents) [R2] on methods of chemical washing to remove some or all of the hydrous oxide layer imparted on UNF cladding during irradiation in light water reactors (LWRs) . Thus, the Oak Ridge National Laboratory (ORNL) study, described herein, was planned to extend the KAERI study on the effects of anhydrous oxide layers, but on larger ~100-gram samples of unirradiated zirconium alloy cladding tubes, and to investigate the effects of various methods of chemical pretreatment prior to chlorination with 100% chlorine on the average reaction rates and Cl2 usage efficiencies.

  7. 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.

  8. Micromachined chemical jet dispenser

    DOE Patents [OSTI]

    Swierkowski, Steve P. (Livermore, CA)

    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.

  9. Standard specification for nuclear-grade zirconium oxide powder

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2008-01-01

    1.1 This specification defines the physical and chemical requirements for zirconium oxide powder intended for fabrication into shapes, either entirely or partially of zirconia, for use in a nuclear reactor core. 1.2 The material described herein shall be particulate in nature. 1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.

  10. Chemical Engineering and Materials Science

    E-Print Network [OSTI]

    Berdichevsky, Victor

    Chemical Engineering and Materials Science COLLEGE of ENGINEERING DepartmentofChemicalEngineering-credit EDGE Engineering Entrepreneur Certificate Program is a great addition to a chemical engineering t engineering.wayne.edu/che #12;What is chemical engineering? Imagine saving the lives of pediatric patients

  11. Reactive formulations for a neutralization of toxic industrial chemicals

    DOE Patents [OSTI]

    Tucker, Mark D. (Albuqueruqe, NM); Betty, Rita G. (Rio Rancho, NM)

    2006-10-24

    Decontamination formulations for neutralization of toxic industrial chemicals, and methods of making and using same. The formulations are effective for neutralizing malathion, hydrogen cyanide, sodium cyanide, butyl isocyanate, carbon disulfide, phosgene gas, capsaicin in commercial pepper spray, chlorine gas, anhydrous ammonia gas; and may be effective at neutralizing hydrogen sulfide, sulfur dioxide, formaldehyde, ethylene oxide, methyl bromide, boron trichloride, fluorine, tetraethyl pyrophosphate, phosphorous trichloride, arsine, and tungsten hexafluoride.

  12. Oxidation of coal and coal pyrite mechanisms and influence on surface characteristics. [Coal pyrite electrodes

    SciTech Connect (OSTI)

    Doyle, F.M.

    1992-01-01

    The objective of this research is to develop a mechanistic understanding of the oxidation of coal and coal pyrite, and to correlate the intrinsic physical and chemical properties of these minerals, along with changes resulting from oxidation, with those surface properties that influence the behavior in physical cleaning processes. The results will provide fundamental insight into oxidation, in terms of the bulk and surface chemistry, the microstructure, and the semiconductor properties of the pyrite. During the eighth quarter, wet chemical and dry oxidation tests were done on Upper Freeport coal from the Troutville [number sign]2 Mine, Clearfield County, Pennsylvania. In addition electrochemical experiments were done on electrodes prepared from Upper Freeport coal pyrite and Pittsburgh coal pyrite samples provided by the US Bureau of Mines, Pittsburgh Research Center, Pennsylvania.

  13. Electro-catalytic oxidation device for removing carbon from a fuel reformate

    DOE Patents [OSTI]

    Liu, Di-Jia (Naperville, IL)

    2010-02-23

    An electro-catalytic oxidation device (ECOD) for the removal of contaminates, preferably carbonaceous materials, from an influent comprising an ECOD anode, an ECOD cathode, and an ECOD electrolyte. The ECOD anode is at a temperature whereby the contaminate collects on the surface of the ECOD anode as a buildup. The ECOD anode is electrically connected to the ECOD cathode, which consumes the buildup producing electricity and carbon dioxide. The ECOD anode is porous and chemically active to the electro-catalytic oxidation of the contaminate. The ECOD cathode is exposed to oxygen, and made of a material which promotes the electro-chemical reduction of oxygen to oxidized ions. The ECOD electrolyte is non-permeable to gas, electrically insulating and a conductor to oxidized. The ECOD anode is connected to the fuel reformer and the fuel cell. The ECOD electrolyte is between and in ionic contact with the ECOD anode and the ECOD cathode.

  14. Controlled CO preferential oxidation

    DOE Patents [OSTI]

    Meltser, Mark A. (Pittsford, NY); Hoch, Martin M. (Webster, NY)

    1997-01-01

    Method for controlling the supply of air to a PROX reactor for the preferential oxidation in the presence of hydrogen wherein the concentration of the hydrogen entering and exiting the PROX reactor is monitored, the difference therebetween correlated to the amount of air needed to minimize such difference, and based thereon the air supply to the PROX reactor adjusted to provide such amount and minimize such difference.

  15. Millisecond Oxidation of Alkanes

    Broader source: Energy.gov [DOE]

    This factsheet describes a project whose goal is to commercialize a production process for propylene and acrylic acid from propane using a catalytic auto-thermal oxydehydrogenation process operating at short contact times. Auto-thermal oxidation for conversion of propane to propylene and acrylic acid promises energy savings of 20 trillion Btu per year by 2020. In addition to reducing energy consumption, this technology can reduce manufacturing costs by up to 25 percent, and reduce a variety of greenhouse gas emissions.

  16. Materials Science and Engineering B54 (1998) 207209 Growth of gallium phosphide layers by chemical beam epitaxy on

    E-Print Network [OSTI]

    Dietz, Nikolaus

    1998-01-01

    Materials Science and Engineering B54 (1998) 207­209 Letter Growth of gallium phosphide layers by chemical beam epitaxy on oxide patterned (001)silicon substrates V. Narayanan a, *, N. Sukidi c , Chimin Hu b , N. Dietz c , K.J. Bachmann c , S. Mahajan a , S. Shingubara d a Department of Chemical, Bio

  17. Nonisostructural complex oxide heteroepitaxy

    SciTech Connect (OSTI)

    Wong, Franklin J. Ramanathan, Shriram

    2014-07-01

    The authors present an overview of the fundamentals and representative examples of the growth of epitaxial complex oxide thin films on structurally dissimilar substrates. The authors will delineate how the details of particular crystal structures and symmetry of different oxide surfaces can be employed for a rational approach to the synthesis of nonisostructural epitaxial heterostructures. The concept of oxygen eutaxy can be widely applied. Materials combinations will be split into three categories, and in all cases the films and substrates occur in different crystal structures: (1) common translational and rotational symmetry between the film and substrate planes; (2) translational symmetry mismatch between the substrates and films that is distinct from a simple mismatch in lattice parameters; and (3) rotational symmetry mismatch. In case (1), in principle single-crystalline thin films can be attained despite the films and substrates possessing different crystal structures. In case (2), antiphase boundaries will be prevalent in the thin films. In case (3), thin-film rotational variants that are joined by tilt boundaries will be present. Diffraction techniques to determine crystallographic alignment and epitaxial variants are discussed, and transmission electron microscopy studies to investigate extended defects in the thin films will also be reviewed. The authors end with open problems in this field regarding the structure of oxide interfaces that can be topics for future research.

  18. Metal-oxide-based energetic materials and synthesis thereof

    DOE Patents [OSTI]

    Tillotson, Thomas M. (Tracy, CA), Simpson; Randall L. (Livermore, CA); Hrubesh, Lawrence W. (Pleasanton, CA)

    2006-01-17

    A method of preparing energetic metal-oxide-based energetic materials using sol-gel chemistry has been invented. The wet chemical sol-gel processing provides an improvement in both safety and performance. Essentially, a metal-oxide oxidizer skeletal structure is prepared from hydrolyzable metals (metal salts or metal alkoxides) with fuel added to the sol prior to gelation or synthesized within the porosity metal-oxide gel matrix. With metal salt precursors a proton scavenger is used to destabilize the sol and induce gelation. With metal alkoxide precursors standard well-known sol-gel hydrolysis and condensation reactions are used. Drying is done by standard sol-gel practices, either by a slow evaporation of the liquid residing within the pores to produce a high density solid nanocomposite, or by supercritical extraction to produce a lower density, high porous nanocomposite. Other ingredients may be added to this basic nanostructure to change physical and chemical properties, which include organic constituents for binders or gas generators during reactions, burn rate modifiers, or spectral emitters.

  19. Hysteresis-free high rate reactive sputtering of niobium oxide, tantalum oxide, and aluminum oxide

    SciTech Connect (OSTI)

    Särhammar, Erik, E-mail: erik.sarhammar@angstrom.uu.se; Berg, Sören; Nyberg, Tomas [Department of Solid State Electronics, The Ångström Laboratory, Uppsala University, Box 534, SE-751 21 Uppsala (Sweden)

    2014-07-01

    This work reports on experimental studies of reactive sputtering from targets consisting of a metal and its oxide. The composition of the targets varied from pure metal to pure oxide of Al, Ta, and Nb. This combines features from both the metal target and oxide target in reactive sputtering. If a certain relation between the metal and oxide parts is chosen, it may be possible to obtain a high deposition rate, due to the metal part, and a hysteresis-free process, due to the oxide part. The aim of this work is to quantify the achievable boost in oxide deposition rate from a hysteresis-free process by using a target consisting of segments of a metal and its oxide. Such an increase has been previously demonstrated for Ti using a homogeneous substoichiometric target. The achievable gain in deposition rate depends on transformation mechanisms from oxide to suboxides due to preferential sputtering of oxygen. Such mechanisms are different for different materials and the achievable gain is therefore material dependent. For the investigated materials, the authors have demonstrated oxide deposition rates that are 1.5–10 times higher than what is possible from metal targets in compound mode. However, although the principle is demonstrated for oxides of Al, Ta, and Nb, a similar behavior is expected for most oxides.

  20. 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.

  1. 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.

  2. Microstructure of amorphous indium oxide and tin oxide thin films

    SciTech Connect (OSTI)

    Rauf, I.A.; Brown, L.M. (Univ. of Cambridge (United Kingdom))

    1994-03-15

    Indium oxide, tin oxide, and some other doped and undoped oxide semiconductors show an interesting and technologically important combination of properties. They have high luminous transparency, good electrical conductivity and high infrared reflectivity. Numerous techniques for depositing these materials have been developed and have undergone a number of changes during last two decades. An understanding of the basic physics of these materials has begun to dawn. Most of the literature on transparent conducting oxides consists of studying the dependence of the properties on the composition, preparation conditions, such as deposition rate, substrate temperature or post-deposition heat treatment. In this paper the authors have employed the transmission electron microscopy to study the microstructure of reactively evaporated, electron beam evaporated, ion-beam sputtered amorphous indium oxide and reactively evaporated amorphous tin oxide thin films. These films, which have received little attention in the past, can have enormous potential as transparent conductive coatings on heat-sensitive substrates and inexpensive solar cells.

  3. Oxidation resistant alloys, method for producing oxidation resistant alloys

    DOE Patents [OSTI]

    Dunning, John S.; Alman, David E.

    2002-11-05

    A method for producing oxidation-resistant austenitic alloys for use at temperatures below 800 C. comprising of: providing an alloy comprising, by weight %: 14-18% chromium, 15-18% nickel, 1-3% manganese, 1-2% molybdenum, 2-4% silicon, 0% aluminum and the balance being iron; heating the alloy to 800 C. for between 175-250 hours prior to use in order to form a continuous silicon oxide film and another oxide film. The method provides a means of producing stainless steels with superior oxidation resistance at temperatures above 700 C. at a low cost

  4. Oxidation resistant alloys, method for producing oxidation resistant alloys

    DOE Patents [OSTI]

    Dunning, John S. (Corvallis, OR); Alman, David E. (Salem, OR)

    2002-11-05

    A method for producing oxidation-resistant austenitic alloys for use at temperatures below 800.degree. C. comprising of: providing an alloy comprising, by weight %: 14-18% chromium, 15-18% nickel, 1-3% manganese, 1-2% molybdenum, 2-4% silicon, 0% aluminum and the balance being iron; heating the alloy to 800.degree. C. for between 175-250 hours prior to use in order to form a continuous silicon oxide film and another oxide film. The method provides a means of producing stainless steels with superior oxidation resistance at temperatures above 700.degree. C. at a low cost

  5. Zinc oxide varistors and/or resistors

    DOE Patents [OSTI]

    Arnold, Jr., Wesley D. (Oak Ridge, TN); Bond, Walter D. (Knoxville, TN); Lauf, Robert J. (Oak Ridge, TN)

    1993-01-01

    Varistors and/or resistors that includes doped zinc oxide gel microspheres. The doped zinc oxide gel microspheres preferably have from about 60 to about 95% by weight zinc oxide and from about 5 to about 40% by weight dopants based on the weight of the zinc oxide. The dopants are a plurality of dopants selected from silver salts, boron oxide, silicon oxide and hydrons oxides of aluminum, bismuth, cobalt, chromium, manganese, nickel, and antimony.

  6. Zinc oxide varistors and/or resistors

    DOE Patents [OSTI]

    Arnold, W.D. Jr.; Bond, W.D.; Lauf, R.J.

    1993-07-27

    Varistors and/or resistors are described that include doped zinc oxide gel microspheres. The doped zinc oxide gel microspheres preferably have from about 60 to about 95% by weight zinc oxide and from about 5 to about 40% by weight dopants based on the weight of the zinc oxide. The dopants are a plurality of dopants selected from silver salts, boron oxide, silicon oxide and hydrons oxides of aluminum, bismuth, cobalt, chromium, manganese, nickel, and antimony.

  7. Obtaining composite Zr-Al-O coating on the surface of zirconium by microplasma oxidation

    SciTech Connect (OSTI)

    Gubaidulina, Tatiana A. E-mail: ostk@mail2000ru; Kuzmin, Oleg S. E-mail: ostk@mail2000ru; Fedorischva, Marina V. E-mail: kmp1980@mail.ru; Kalashnikov, Mark P. E-mail: kmp1980@mail.ru; Sergeev, Viktor P.

    2014-11-14

    The paper describes the application of the microplasma oxidation for production of Zr-Al-O composition on the surface of zirconium. Certification of a new-type power supply for depositing oxide ceramic coatings by microplasma oxidation was also carried out. The growth rate of Zr-Al-O coating amounted around 0.2 nm/s, which around 10 times exceeds that for depositing similar coatings using the similar equipment. We have studied the change of surface morphology and the chemical composition of the formed ceramic coating by means of EVO 50 scanning electron microscope and X-ray spectral analysis.

  8. ARM - Oxides of Nitrogen

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Comments?govInstrumentsnoaacrnBarrow, Alaska OutreachCalendar NSA Related LinksOxides of Nitrogen Outreach Home

  9. CHEMICAL ENGINEERING Graduation Checklist Bachelor of Science in Chemical Engineering

    E-Print Network [OSTI]

    Zallen, Richard

    CHEMICAL ENGINEERING Graduation Checklist Bachelor of Science in Chemical Engineering College of Engineering For Students Graduating in Calendar Year 2014 (Co-op students graduating in Calendar Year 2015

  10. Appendix H. Chemicals Appendix H. Chemicals H-3

    E-Print Network [OSTI]

    Pennycook, Steve

    . Through the use of chemicals, we can increase food production, cure diseases, build more efficient houses for the construction of homes may contain chemicals such as formaldehyde (in some insulation materials), asbestos

  11. Appendix B: Chemicals Appendix B: Chemicals B-3

    E-Print Network [OSTI]

    Pennycook, Steve

    of chemicals, we can increase food production, cure diseases, build more efficient houses, and send people materials used for the construction of homes may contain chemicals such as formaldehyde (in some insulation

  12. Appendix G. Chemicals Appendix G. Chemicals G-3

    E-Print Network [OSTI]

    Pennycook, Steve

    . Through the use of chemicals, we can increase food production, cure diseases, build more efficient houses for the construction of homes may contain chemicals such as formaldehyde (in some insulation materials), asbestos

  13. Chemical Looping Combustion Reactions and Systems

    SciTech Connect (OSTI)

    Sarofim, Adel; Lighty, JoAnn; Smith, Philip; Whitty, Kevin; Eyring, Edward; Sahir, Asad; Alvarez, Milo; Hradisky, Michael; Clayton, Chris; Konya, Gabor; Baracki, Richard; Kelly, Kerry

    2014-03-01

    Chemical Looping Combustion (CLC) is one promising fuel-combustion technology, which can facilitate economic CO{sub 2} capture in coal-fired power plants. It employs the oxidation/reduction characteristics of a metal, or oxygen carrier, and its oxide, the oxidizing gas (typically air) and the fuel source may be kept separate. This topical report discusses the results of four complementary efforts: (5.1) the development of process and economic models to optimize important design considerations, such as oxygen carrier circulation rate, temperature, residence time; (5.2) the development of high-performance simulation capabilities for fluidized beds and the collection, parameter identification, and preliminary verification/uncertainty quantification; (5.3) the exploration of operating characteristics in the laboratoryscale bubbling bed reactor, with a focus on the oxygen carrier performance, including reactivity, oxygen carrying capacity, attrition resistance, resistance to deactivation, cost and availability; and (5.4) the identification of kinetic data for copper-based oxygen carriers as well as the development and analysis of supported copper oxygen carrier material. Subtask 5.1 focused on the development of kinetic expressions for the Chemical Looping with Oxygen Uncoupling (CLOU) process and validating them with reported literature data. The kinetic expressions were incorporated into a process model for determination of reactor size and oxygen carrier circulation for the CLOU process using ASPEN PLUS. An ASPEN PLUS process model was also developed using literature data for the CLC process employing an iron-based oxygen carrier, and the results of the process model have been utilized to perform a relative economic comparison. In Subtask 5.2, the investigators studied the trade-off between modeling approaches and available simulations tools. They quantified uncertainty in the high-performance computing (HPC) simulation tools for CLC bed applications. Furthermore, they performed a sensitivity analysis for velocity, height and polydispersity and compared results against literature data for experimental studies of CLC beds with no reaction. Finally, they present an optimization space using simple non-reactive configurations. In Subtask 5.3, through a series of experimental studies, behavior of a variety of oxygen carriers with different loadings and manufacturing techniques was evaluated under both oxidizing and reducing conditions. The influences of temperature, degree of carrier conversion and thermodynamic driving force resulting from the difference between equilibrium and system O{sub 2} partial pressures were evaluated through several experimental campaigns, and generalized models accounting for these influences were developed to describe oxidation and oxygen release. Conversion of three solid fuels with widely ranging reactivities was studied in a small fluidized bed system, and all but the least reactive fuel (petcoke) were rapidly converted by oxygen liberated from the CLOU carrier. Attrition propensity of a variety of carriers was also studied, and the carriers produced by freeze granulation or impregnation of preformed substrates displayed the lowest rates of attrition. Subtask 5.4 focused on gathering kinetic data for a copper-based oxygen carrier to assist with modeling of a functioning chemical looping reactor. The kinetics team was also responsible for the development and analysis of supported copper oxygen carrier material.

  14. Natural Ores as Oxygen Carriers in Chemical Looping Combustion

    SciTech Connect (OSTI)

    Tian, Hanjing; Siriwardane, Ranjani; Simonyi, Thomas; Poston, James

    2013-08-01

    Chemical looping combustion (CLC) is a combustion technology that utilizes oxygen from oxygen carriers (OC), such as metal oxides, instead of air to combust fuels. The use of natural minerals as oxygen carriers has advantages, such as lower cost and availability. Eight materials, based on copper or iron oxides, were selected for screening tests of CLC processes using coal and methane as fuels. Thermogravimetric experiments and bench-scale fixed-bed reactor tests were conducted to investigate the oxygen transfer capacity, reaction kinetics, and stability during cyclic reduction/oxidation reaction. Most natural minerals showed lower combustion capacity than pure CuO/Fe{sub 2}O{sub 3} due to low-concentrations of active oxide species in minerals. In coal CLC, chryscolla (Cu-based), magnetite, and limonite (Fe-based) demonstrated better reaction performances than other materials. The addition of steam improved the coal CLC performance when using natural ores because of the steam gasification of coal and the subsequent reaction of gaseous fuels with active oxide species in the natural ores. In methane CLC, chryscolla, hematite, and limonite demonstrated excellent reactivity and stability in 50-cycle thermogravimetric analysis tests. Fe{sub 2}O{sub 3}-based ores possess greater oxygen utilization but require an activation period before achieving full performance in methane CLC. Particle agglomeration issues associated with the application of natural ores in CLC processes were also studied by scanning electron microscopy (SEM).

  15. Chemical Sciences Division annual report, 1990

    SciTech Connect (OSTI)

    Not Available

    1991-08-01

    This report contains sections on the following topics: photochemistry of materials in the stratosphere, energy transfer and structural studies of molecules on surfaces, crossed molecular beams, molecular interactions, theory of atomic and molecular collision processes, selective photochemistry, photodissociation of free radicals, physical chemistry with emphasis on thermodynamic properties, chemical physics at the high photon energies, high-energy atomic physics, atomic physics, high-energy oxidizers and delocalized-electron solids, catalytic hydrogenation of CO, transition metal-catalyzed conversion of CO, NO, H{sub 2}, and organic molecules to fuels and petrochemicals, formation of oxyacids of sulfur from SO{sub 2}, potentially catalytic and conducting polyorganometallics, actinide chemistry, and molecular thermodynamics for phase equilibria in mixtures.

  16. Formulations for neutralization of chemical and biological toxants

    DOE Patents [OSTI]

    Tadros, Maher E.; Tucker, Mark D.

    2003-05-20

    A formulation and method of making that neutralizes the adverse health effects of both chemical and biological compounds, especially chemical warfare (CW) and biological warfare (BW) agents. The formulation of the present invention non-toxic and non-corrosive and can be delivered by a variety of means and in different phases. The formulation provides solubilizing compounds that serve to effectively render the chemical and biological compounds, particularly CW and BW compounds, susceptible to attack and at least one reactive compound that serves to attack (and detoxify or kill) the compound. The at least one reactive compound can be an oxidizing compound, a nucleophilic compound or a mixture of both. The formulation can kill up to 99.99999% of bacterial spores within one hour of exposure.

  17. Buried oxide layer in silicon

    DOE Patents [OSTI]

    Sadana, Devendra Kumar (Pleasantville, NY); Holland, Orin Wayne (Lenoir, TN)

    2001-01-01

    A process for forming Silicon-On-Insulator is described incorporating the steps of ion implantation of oxygen into a silicon substrate at elevated temperature, ion implanting oxygen at a temperature below 200.degree. C. at a lower dose to form an amorphous silicon layer, and annealing steps to form a mixture of defective single crystal silicon and polycrystalline silicon or polycrystalline silicon alone and then silicon oxide from the amorphous silicon layer to form a continuous silicon oxide layer below the surface of the silicon substrate to provide an isolated superficial layer of silicon. The invention overcomes the problem of buried isolated islands of silicon oxide forming a discontinuous buried oxide layer.

  18. A Big Response to a “Small” Problem: Identifying the Oxidative Potential of Nanomaterials and the Physicochemical Characteristics That Play a Role 

    E-Print Network [OSTI]

    Berg, James Michael

    2012-02-14

    of nanoparticles influential in toxicological studies, surface properties of metal oxide and carbonaceous nanoparticles were measured. These properties include zeta potential, dissolution and surface-bound chemical components. Subsequently, the role...

  19. Zirconia-Supported MoOx Catalysts for the Selective Oxidation of Dimethyl Ether to Formaldehyde: Structure, Redox Properties, and Reaction Pathways

    E-Print Network [OSTI]

    Iglesia, Enrique

    Zirconia-Supported MoOx Catalysts for the Selective Oxidation of Dimethyl Ether to Formaldehyde* Department of Chemical Engineering, UniVersity of California at Berkeley, Berkeley, California 94720 Recei

  20. Chemical Reactions at Surfaces

    SciTech Connect (OSTI)

    Michael Henderson and Nancy Ryan Gray

    2010-04-14

    Chemical reactions at surfaces underlie some of the most important processes of today, including catalysis, energy conversion, microelectronics, human health and the environment. Understanding surface chemical reactions at a fundamental level is at the core of the field of surface science. The Gordon Research Conference on Chemical Reactions at Surfaces is one of the premiere meetings in the field. The program this year will cover a broad range of topics, including heterogeneous catalysis and surface chemistry, surfaces in environmental chemistry and energy conversion, reactions at the liquid-solid and liquid-gas interface, electronic materials growth and surface modification, biological interfaces, and electrons and photons at surfaces. An exciting program is planned, with contributions from outstanding speakers and discussion leaders from the international scientific community. The conference provides a dynamic environment with ample time for discussion and interaction. Attendees are encouraged to present posters; the poster sessions are historically well attended and stimulate additional discussions. The conference provides an excellent opportunity for junior researchers (e.g. graduate students or postdocs) to present their work and interact with established leaders in the field.

  1. The chemical mechanisms of flavin-dependent amine oxidases and the plasticity of the two-his one-carboxylate facial triad in tyrosine hydroxylase 

    E-Print Network [OSTI]

    Ralph, Erik C.

    2009-05-15

    Despite a number of kinetic and spectroscopic studies, the chemical mechanisms of amine oxidation by flavoenzymes remain widely debated. The mechanisms of by Nmethyltryptophan oxidase (MTOX) and tryptophan 2-monooxygenase (TMO) were probed using a...

  2. Fundamentals of Mercury Oxidation in Flue Gas

    SciTech Connect (OSTI)

    JoAnn S. Lighty; Geoffrey Silcox; Andrew Fry; Constance Senior; Joseph Helble; Balaji Krishnakumar

    2005-08-01

    The objective of this project is to understand the importance of and the contribution of gas-phase and solid-phase coal constituents in the mercury oxidation reactions. The project involves both experimental and modeling efforts. The team is comprised of the University of Utah, Reaction Engineering International, and the University of Connecticut. The objective is to determine the experimental parameters of importance in the homogeneous and heterogeneous oxidation reactions; validate models; and, improve existing models. Parameters to be studied include HCl, NO{sub x}, and SO{sub 2} concentrations, ash constituents, and temperature. This report summarizes Year 2 results for the experimental and modeling tasks. Experiments in the mercury reactor are underway and interesting results suggested that a more comprehensive look at catalyzed surface reactions was needed. Therefore, much of the work has focused on the heterogeneous reactions. In addition, various chemical kinetic models have been explored in an attempt to explain some discrepancies between this modeling effort and others.

  3. CO oxidation on gold-supported iron oxides: New insights into strong oxide–metal interactions

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

    Yu, Liang; Liu, Yun; Yang, Fan; Evans, Jaime; Rodriguez, José A.; Liu, Ping

    2015-07-14

    Very active FeOx–Au catalysts for CO oxidation are obtained after depositing nanoparticles of FeO, Fe3O4, and Fe2O3 on a Au(111) substrate. Neither FeO nor Fe2O3 is stable under the reaction conditions. Under an environment of CO/O2, they undergo oxidation (FeO) or reduction (Fe2O3) to yield nanoparticles of Fe3O4 that are not formed in a bulk phase. Using a combined experimental and theoretical approach, we show a strong oxide–metal interaction (SOMI) between Fe3O4 nanostructures and Au(111), which gives the oxide special properties, allows the formation of an active phase, and provides a unique interface to facilitate a catalytic reaction. This workmore »highlights the important role that the SOMI can play in enhancing the catalytic performance of the oxide component in metal–oxide catalysts.« less

  4. Operation of staged membrane oxidation reactor systems

    DOE Patents [OSTI]

    Repasky, John Michael

    2012-10-16

    A method of operating a multi-stage ion transport membrane oxidation system. The method comprises providing a multi-stage ion transport membrane oxidation system with at least a first membrane oxidation stage and a second membrane oxidation stage, operating the ion transport membrane oxidation system at operating conditions including a characteristic temperature of the first membrane oxidation stage and a characteristic temperature of the second membrane oxidation stage; and controlling the production capacity and/or the product quality by changing the characteristic temperature of the first membrane oxidation stage and/or changing the characteristic temperature of the second membrane oxidation stage.

  5. Arsenite Oxidation by a Poorly Crystalline Manganese-Oxide 1.

    E-Print Network [OSTI]

    Sparks, Donald L.

    N J . L A F F E R T Y , * M A T T H E W G I N D E R - V O G E L , A N D D O N A L D L . S P A R KArsenite Oxidation by a Poorly Crystalline Manganese-Oxide 1. Stirred-Flow Experiments B R A N D O

  6. Chemical Hygiene and Safety Plan

    E-Print Network [OSTI]

    Ricks Editor, R.

    2009-01-01

    Radioactive Hazardous or Other Location LBL On-Site Bldgs.hazardous chemicals usedin the laboratory: and (v} The locationhazardous chemicals are present: and. (irl}The location and

  7. Devices for collecting chemical compounds

    SciTech Connect (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.

  8. Ceramic oxide powders and the formation thereof

    DOE Patents [OSTI]

    Katz, Joseph L. (Baltimore, MD); Hung, Cheng-Hung (Baltimore, MD)

    1993-01-01

    Ceramic oxide powders and a method for their preparation. Ceramic oxide powders are obtained using a flame process whereby two or more precursors of ceramic oxides are introduced into a counterflow diffusion flame burner wherein said precursors are converted into ceramic oxide powders. The morphology, particle size, and crystalline form of the ceramic oxide powders are determined by process conditions.

  9. Ceramic oxide powders and the formation thereof

    DOE Patents [OSTI]

    Katz, J.L.; Chenghung Hung.

    1993-12-07

    Ceramic oxide powders and a method for their preparation. Ceramic oxide powders are obtained using a flame process whereby two or more precursors of ceramic oxides are introduced into a counterflow diffusion flame burner wherein said precursors are converted into ceramic oxide powders. The morphology, particle size, and crystalline form of the ceramic oxide powders are determined by process conditions. 14 figures.

  10. Low Temperature Constrained Sintering of Cerium Gadolinium Oxide Films for Solid Oxide Fuel Cell Applications

    E-Print Network [OSTI]

    Nicholas, Jason.D.

    2007-01-01

    Temperature Solid Oxide Fuel Cells, In: S.C. Singhal and M.Tubular Solid Oxide Fuel Cell Technology, U.S. Department ofOxide Films for Solid Oxide Fuel Cell Applications by Jason

  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. Mechanism-Based Design of Green Oxidation Catalysts

    SciTech Connect (OSTI)

    Rybak-Akimova, Elena

    2015-03-16

    In modern era of scarce resources, developing chemical processes that can eventually generate useful materials and fuels from readily available, simple, cheap, renewable starting materials is of paramount importance. Small molecules, such as dioxygen, dinitrogen, water, or carbon dioxide, can be viewed as ideal sources of oxygen, nitrogen, or carbon atoms in synthetic applications. Living organisms perfected the art of utilizing small molecules in biosynthesis and in generating energy; photosynthesis, which couples carbohydrate synthesis from carbon dioxide with photocatalytic water splitting, is but one impressive example of possible catalytic processes. Small molecule activation in synthetic systems remains challenging, and current efforts are focused on developing catalytic reactions that can convert small molecules into useful building blocks for generating more complicated organic molecules, including fuels. Modeling nature is attractive in many respects, including the possibility to use non-toxic, earth-abundant metals in catalysis. Specific systems investigated in our work include biomimetic catalytic oxidations with dioxygen, hydrogen peroxide, and related oxygen atom donors. More recently, a new direction was been also pursued in the group, fixation of carbon dioxide with transition metal complexes. Mechanistic understanding of biomimetic metal-catalyzed oxidations is critical for the design of functional models of metalloenzymes, and ultimately for the rational synthesis of useful, selective and efficient oxidation catalysts utilizing dioxygen and hydrogen peroxide as terminal oxidants. All iron oxidases and oxygenases (both mononuclear and dinuclear) utilize metal-centered intermediates as reactive species in selective substrate oxidation. In contrast, free radical pathways (Fenton chemistry) are common for traditional inorganic iron compounds, producing hydroxyl radicals as very active, non-selective oxidants. Recent developments, however, changed this situation. Growing families of synthetic iron complexes that resemble active sites of metalloenzymes produce metal-based intermediates (rather than hydroxyl radicals) in reactions with oxygen donors. These complexes are very promising for selective oxygen and peroxide activation. In order to understand the mechanisms of metal-based small molecule activation, kinetically competent metal-oxygen intermediates must be identified. One of the grand challenges identified by the Department of Energy workshop "Catalysis for Energy" is understanding mechanisms and dynamics of catalyzed reactions. The research summarized herein focuses on detailed characterization of the formation and reactivity of various iron-peroxo- and iron-oxo intermediates that are involved in catalysis. Rates of rapid reactions were studied at low temperatures by a specialized technique termed cryogenic stopped-flow spectrophotometry. These measurements identified reaction conditions which favor the formation of catalytically competent oxidants. Chemical structures of reactive complexes was determined, and new, efficient catalysts for hydrocarbon oxidation were synthesized. Importantly, these catalysts are selective, they promote oxidation of hydrocarbons at a specific site. The catalysts are also efficient and robust, hundreds of cycles of substrate oxidation occur within minutes at room temperature. Furthermore, they enable utilization of environmentally friendly oxidants, such as hydrogen peroxide, which produces water as the only byproduct. Mechanistic insights uncovered the role of various acid-containing additives in catalytic oxidations. Proton delivery to the active catalytic sites facilitated oxidations, similarly to the catalytic pathways in metal-containing enzymes. Under certain conditions, two metals in one complex can act in concert, modeling the reactivity of a bacterial enzyme which converts methane into methanol. In related studies, a family of nickel complexes that react with carbon dioxide at the rates comparable to enzyme carbonic anhydrase, was discovered. Sequestration and che

  13. Tribological interaction between polytetrafluoroethylene and silicon oxide surfaces

    SciTech Connect (OSTI)

    Uçar, A.; Çopuro?lu, M.; Suzer, S.; Baykara, M. Z.; Ar?kan, O.

    2014-10-28

    We investigated the tribological interaction between polytetrafluoroethylene (PTFE) and silicon oxide surfaces. A simple rig was designed to bring about a friction between the surfaces via sliding a piece of PTFE on a thermally oxidized silicon wafer specimen. A very mild inclination (?0.5°) along the sliding motion was also employed in order to monitor the tribological interaction in a gradual manner as a function of increasing contact force. Additionally, some patterns were sketched on the silicon oxide surface using the PTFE tip to investigate changes produced in the hydrophobicity of the surface, where the approximate water contact angle was 45° before the transfer. The nature of the transferred materials was characterized by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). XPS results revealed that PTFE was faithfully transferred onto the silicon oxide surface upon even at the slightest contact and SEM images demonstrated that stable morphological changes could be imparted onto the surface. The minimum apparent contact pressure to realize the PTFE transfer is estimated as 5 kPa, much lower than reported previously. Stability of the patterns imparted towards many chemical washing processes lead us to postulate that the interaction is most likely to be chemical. Contact angle measurements, which were carried out to characterize and monitor the hydrophobicity of the silicon oxide surface, showed that upon PTFE transfer the hydrophobicity of the SiO{sub 2} surface could be significantly enhanced, which might also depend upon the pattern sketched onto the surface. Contact angle values above 100° were obtained.

  14. Programmability of Chemical Reaction Networks

    E-Print Network [OSTI]

    Winfree, Erik

    Programmability of Chemical Reaction Networks Matthew Cook1 , David Soloveichik2 , Erik Winfree2 Chemical Reaction Networks (SCRNs), a for- mal model that considers a set of chemical reactions acting Logic Circuits, Vector Addition Systems, Petri Nets, Gate Implementability, Primitive Recursive

  15. Nonlinear chemical dynamics Francesc Sagusa

    E-Print Network [OSTI]

    Epstein, Irving R.

    Nonlinear chemical dynamics Francesc Saguésa and Irving R. Epsteinb a Departament de Química Física March 2003 The interdisciplinary field of nonlinear chemical dynamics has grown significantly in breadth an overview of some of the key results of nonlinear chemical dynamics, with emphasis on those areas most

  16. CHEMICAL LABORATORY SAFETY AND METHODOLOGY

    E-Print Network [OSTI]

    Northern British Columbia, University of

    CHEMICAL LABORATORY SAFETY AND METHODOLOGY MANUAL August 2013 #12;ii Emergency Numbers UNBC Prince-Emergency Numbers UNBC Prince George Campus Chemstores 6472 Chemical Safety 6472 Radiation Safety 6472 Biological the safe use, storage, handling, waste and emergency management of chemicals on the University of Northern

  17. Qualitative Theory and Chemical Explanation

    E-Print Network [OSTI]

    Weisberg, Michael

    Abstract Roald Hoffmann and other theorists claim that we we ought to use highly idealized chemical modelsQualitative Theory and Chemical Explanation Michael Weisberg Stanford University February 15, 2003 ("qualitative models") in order to in- crease our understanding of chemical phenomena, even though other models

  18. 48 Chemical Engineering Education Incorporating

    E-Print Network [OSTI]

    Hesketh, Robert

    48 Chemical Engineering Education Incorporating GREEN ENGINEERING Into a Material and Energy prob- lems in chemical engineering. Problems of the type that can be used to motivate the student-mail: wilkes@umich.edu), Chemical Engineering Department, University of Michigan, Ann Arbor, MI 48109

  19. Ultrafast Laser Spectroscopyof Chemical Reactions

    E-Print Network [OSTI]

    Zewail, Ahmed

    Ultrafast Laser Spectroscopyof Chemical Reactions - Joseph L. Kneeand AhmedH. Zewail California of chemical physics is to understand how chemi- cal reactions complete their journey from reactants to prod at the molecular level. The making of new bonds (and the breaking of old ones) in elementary chemical reactions

  20. Published: July 18, 2011 r 2011 American Chemical Society 7388 dx.doi.org/10.1021/ic201396m |Inorg. Chem. 2011, 50, 73887390

    E-Print Network [OSTI]

    Yaghi, Omar M.

    and MOF-48 are found to have high catalytic activity and chemical stability. They convert methane selec the oxidation of methane directly to AA with 70% yield using K2S2O8 as an oxidant (yields based on K2S2O8), 175Published: July 18, 2011 r 2011 American Chemical Society 7388 dx.doi.org/10.1021/ic201396m |Inorg

  1. Hybrid Combustion-Gasification Chemical Looping

    SciTech Connect (OSTI)

    Herbert Andrus; Gregory Burns; John Chiu; Gregory Lijedahl; Peter Stromberg; Paul Thibeault

    2009-01-07

    For the past several years Alstom Power Inc. (Alstom), a leading world-wide power system manufacturer and supplier, has been in the initial stages of developing an entirely new, ultra-clean, low cost, high efficiency power plant for the global power market. This new power plant concept is based on a hybrid combustion-gasification process utilizing high temperature chemical and thermal looping technology The process consists of the oxidation, reduction, carbonation, and calcination of calcium-based compounds, which chemically react with coal, biomass, or opportunity fuels in two chemical loops and one thermal loop. The chemical and thermal looping technology can be alternatively configured as (i) a combustion-based steam power plant with CO{sub 2} capture, (ii) a hybrid combustion-gasification process producing a syngas for gas turbines or fuel cells, or (iii) an integrated hybrid combustion-gasification process producing hydrogen for gas turbines, fuel cells or other hydrogen based applications while also producing a separate stream of CO{sub 2} for use or sequestration. In its most advanced configuration, this new concept offers the promise to become the technology link from today's Rankine cycle steam power plants to tomorrow's advanced energy plants. The objective of this work is to develop and verify the high temperature chemical and thermal looping process concept at a small-scale pilot facility in order to enable AL to design, construct and demonstrate a pre-commercial, prototype version of this advanced system. In support of this objective, Alstom and DOE started a multi-year program, under this contract. Before the contract started, in a preliminary phase (Phase 0) Alstom funded and built the required small-scale pilot facility (Process Development Unit, PDU) at its Power Plant Laboratories in Windsor, Connecticut. Construction was completed in calendar year 2003. The objective for Phase I was to develop the indirect combustion loop with CO{sub 2} separation, and also syngas production from coal with the calcium sulfide (CaS)/calcium sulfate (CaSO{sub 4}) loop utilizing the PDU facility. The results of Phase I were reported in Reference 1, 'Hybrid Combustion-Gasification Chemical Looping Coal Power Development Technology Development Phase I Report' The objective for Phase II was to develop the carbonate loop--lime (CaO)/calcium carbonate (CaCO{sub 3}) loop, integrate it with the gasification loop from Phase I, and ultimately demonstrate the feasibility of hydrogen production from the combined loops. The results of this program were reported in Reference 3, 'Hybrid Combustion-Gasification Chemical Looping Coal Power Development Technology Development Phase II Report'. The objective of Phase III is to operate the pilot plant to obtain enough engineering information to design a prototype of the commercial Chemical Looping concept. The activities include modifications to the Phase II Chemical Looping PDU, solids transportation studies, control and instrumentation studies and additional cold flow modeling. The deliverable is a report making recommendations for preliminary design guidelines for the prototype plant, results from the pilot plant testing and an update of the commercial plant economic estimates.

  2. Ultra Supercritical Steamside Oxidation

    SciTech Connect (OSTI)

    Holcomb, Gordon R.; Cramer, Stephen D.; Covino, Bernard S., Jr.; Bullard, Sophie J.; Ziomek-Moroz, Malgorzata

    2005-01-01

    Ultra supercritical (USC) power plants offer the promise of higher efficiencies and lower emissions, which are goals of the U.S. Department of Energy's Advanced Power Systems Initiatives. Most current coal power plants in the U.S. operate at a maximum steam temperature of 538 C. However, new supercritical plants worldwide are being brought into service with steam temperatures of up to 620 C. Current Advanced Power Systems goals include coal generation at 60% efficiency, which require steam temperatures of up to 760 C. This research examines the steamside oxidation of advanced alloys for use in USC systems, with emphasis placed on alloys for high- and intermediate-pressure turbine sections. Initial results of this research are presented.

  3. Elementary Kinetics of Soot Oxidation by OH

    E-Print Network [OSTI]

    Edwards, David Eugene

    2014-01-01

    system of thermal and chemical-activation rates is shown inbetween the thermal and chemical-activation pathways weresystem of thermal and chemical- activation rates is shown in

  4. Simultaneous Tracking of Sulfur Species in the Oxidation of Thiourea by Hydrogen Qingyu Gao,, Guangping Wang, Yanyan Sun, and Irving R. Epstein*,

    E-Print Network [OSTI]

    Epstein, Irving R.

    Simultaneous Tracking of Sulfur Species in the Oxidation of Thiourea by Hydrogen Peroxide Qingyu Gao,, Guangping Wang, Yanyan Sun, and Irving R. Epstein*, College of Chemical Engineering, China Uni state, is essential. A major obstacle is the difficulty of tracking the different oxidation states

  5. Chemical kinetics modeling

    SciTech Connect (OSTI)

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

    1993-12-01

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

  6. 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. (Albuquerque, NM); Peter, Frank J. (Albuquerque, NM); Butler, Michael A. (Albuquerque, NM)

    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. Sandia Energy - Chemical Sciences

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory ofDid youOxygen GenerationTechnologies |EducationChemical Sciences Home Energy

  9. Carbon Emissions: Chemicals Industry

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustments (Billion Cubic Feet)Decade Year-0ProvedDecade2,948California (MillionThousandChemicals Industry

  10. CHEMICAL SIGNATURES FOR SUPERHEAVY ELEMENTARY PARTICLES

    E-Print Network [OSTI]

    Cahn, Robert N.

    2014-01-01

    of the Elements, Journal of Chemical Education, publishers,1977). weights, these new chemicals might have undergoneisotopes up to 17 Gev CHEMICAL SIGNATURES FOR SUPERHEAVY

  11. Chemical & Engineering Materials | More Science | ORNL

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

    Chemical and Engineering Materials SHARE Chemical and Engineering Materials Neutron-based research at SNS and HFIR in Chemical and Engineering Materials strives to understand the...

  12. SOOT-CATALYZED OXIDATION OF SULFUR DIOXIDE

    E-Print Network [OSTI]

    Chang, S.G.

    2010-01-01

    and T. Novakov, "Catalytic oxidation of S02 on carbon inThe mechanism of catalytic oxidation on activated carbon;of water in the catalytic oxidation of S02 on carbonaceous

  13. Detection of oxidation in human serum lipoproteins 

    E-Print Network [OSTI]

    Myers, Christine Lee

    2006-04-12

    A method for the oxidation of lipoproteins in vitro was developed using the free radical initiator, 2,2?-azobis-(2-amidinopropane) dihydrochloride (AAPH). Following in vitro oxidation, the susceptibility to oxidation of the serum samples...

  14. Tank 48 - Chemical Destruction

    SciTech Connect (OSTI)

    Simner, Steven P.; Aponte, Celia I.; Brass, Earl A.

    2013-01-09

    Small tank copper-catalyzed peroxide oxidation (CCPO) is a potentially viable technology to facilitate the destruction of tetraphenylborate (TPB) organic solids contained within the Tank 48H waste at the Savannah River Site (SRS). A maturation strategy was created that identified a number of near-term development activities required to determine the viability of the CCPO process, and subsequent disposition of the CCPO effluent. Critical activities included laboratory-scale validation of the process and identification of forward transfer paths for the CCPO effluent. The technical documentation and the successful application of the CCPO process on simulated Tank 48 waste confirm that the CCPO process is a viable process for the disposition of the Tank 48 contents.

  15. CHEMICAL AND CATALYTIC PROPERTIES OF ELEMENTAL CARBON

    E-Print Network [OSTI]

    Chang, S.G.

    2013-01-01

    of kinetic data for the catalytic oxidation of S0 by variousand mechanism for the catalytic oxidation of so 2 on carbonthe pH is low. The catalytic oxidation of sulfurous acid on

  16. Oxide Dispersion Strengthened Iron Aluminide by CVD Coated Powders

    SciTech Connect (OSTI)

    Asit Biswas Andrew J. Sherman

    2006-09-25

    This I &I Category2 program developed chemical vapor deposition (CVD) of iron, aluminum and aluminum oxide coated iron powders and the availability of high temperature oxidation, corrosion and erosion resistant coating for future power generation equipment and can be used for retrofitting existing fossil-fired power plant equipment. This coating will provide enhanced life and performance of Coal-Fired Boilers components such as fire side corrosion on the outer diameter (OD) of the water wall and superheater tubing as well as on the inner diameter (ID) and OD of larger diameter headers. The program also developed a manufacturing route for readily available thermal spray powders for iron aluminide coating and fabrication of net shape component by powder metallurgy route using this CVD coated powders. This coating can also be applid on jet engine compressor blade and housing, industrial heat treating furnace fixtures, magnetic electronic parts, heating element, piping and tubing for fossil energy application and automotive application, chemical processing equipment , heat exchanger, and structural member of aircraft. The program also resulted in developing a new fabrication route of thermal spray coating and oxide dispersion strengthened (ODS) iron aluminide composites enabling more precise control over material microstructures.

  17. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard (2853-A Hickory Pl., Costa Mesa, CA 92626)

    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.

  18. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard (2853-A Hickory Pl., Costa Mesa, CA 92626)

    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.

  19. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard (2853-A Hickory Pl., Costa Mesa, CA 92626)

    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.

  20. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard (2853-A Hickory Pl., Costa Mesa, CA 92626)

    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.

  1. Ethanol oxidation on metal oxide-supported platinum catalysts

    SciTech Connect (OSTI)

    L. M. Petkovic 090468; Sergey N. Rashkeev; D. M. Ginosar

    2009-09-01

    Ethanol is a renewable fuel that can be used as an additive to gasoline (or its substitute) with the advantage of octane enhancement and reduced carbon monoxide exhaust emissions. However, on Ethanol is a renewable fuel that can be used as an additive to gasoline (or its substitute) with the advantage of octane enhancement and reduced carbon monoxide exhaust emissions. However, on the standard three-way catalysts, the conversion of unburned ethanol is low because both ethanol and some of its partially oxidized derivatives are highly resistant to oxidation. A combination of first-principles density-functional theory (DFT) based calculations and in-situ diffuse reflectance infrared spectroscopy (DRIFTS) analysis was applied to uncover some of the fundamental phenomena associated with ethanol oxidation on Pt containing catalysts. In particular, the objective was to analyze the role of the oxide (i.e., ?-Al2O3 or SiO2) substrate on the ethanol oxidation activity. The results showed that Pt nanoparticles trap and accumulate oxygen at their surface and perimeter sites and play the role of “stoves” that burn ethanol molecules and their partially oxidized derivatives to the “final” products. The ?-Al2O3 surfaces provided higher mobility of the fragments of ethanol molecules than the SiO2 surface and hence increased the supply rate of these objects to the Pt particles. This will in turn produce a higher conversion rate of unburned ethanol.and some of its partially oxidized derivatives are highly resistant to oxidation. A combination of first-principles density-functional theory (DFT) based calculations and in-situ diffuse reflectance infrared spectroscopy (DRIFTS) analysis was applied to uncover some of the fundamental phenomena associated with ethanol oxidation on Pt containing catalysts. In particular, the objective was to analyze the role of the oxide (i.e., ?-Al2O3 or SiO2) substrate on the ethanol oxidation activity. The results showed that Pt nanoparticles trap and accumulate oxygen at their surface and perimeter sites and play the role of “stoves” that burn ethanol molecules and their partially oxidized derivatives to the “final” products. The ?-Al2O3 surfaces provided higher mobility of the fragments of ethanol molecules than the SiO2 surface and hence increased the supply rate of these objects to the Pt particles. This will in turn produce a higher conversion rate of unburned ethanol.

  2. A generalized kinetic model for the formation and growth of single-walled metal oxide nanotubes

    E-Print Network [OSTI]

    Nair, Sankar

    A generalized kinetic model for the formation and growth of single-walled metal oxide nanotubes G,n a School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA b School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA c

  3. PROOF COPY 501138JCP Polarization interactions and boroxol ring formation in boron oxide

    E-Print Network [OSTI]

    Stillinger, Frank

    Institute of Physics. DOI: 10.1063/1.1401817 I. INTRODUCTION Boron oxide chemical formula B2O3 is a network- served by inelastic neutron scattering,1,2 nuclear magnetic resonance,3­6 nuclear quadrupole resonance,7 to not reveal such structures.25­33 A reverse Monte Carlo study34 has shown that a high percentage of boroxol

  4. Polarization Interactions and Boroxol Ring Formation in Boron Oxide: A Molecular Dynamics Study

    E-Print Network [OSTI]

    Stillinger, Frank

    is favored. I. Introduction Boron oxide [chemical formula B 2 O 3 ] is a network glass­former. The short scattering (1,2), nuclear magnetic resonance (3­6), nuclear quadrupole resonance (7­9), Raman scattering (10 such structures (25­33). A reverse Monte Carlo study (34) has shown that a high percentage of boroxol rings cannot

  5. Better than crystalline: amorphous vanadium oxide for sodium-ion batteries

    E-Print Network [OSTI]

    Cao, Guozhong

    Better than crystalline: amorphous vanadium oxide for sodium-ion batteries E. Uchaker, Y. Z. Zheng and investigated as cathodes for sodium- ion batteries. Amorphous V2O5 demonstrated superior electro- chemical development.1,2 Among commercially available energy storage media, lithium-ion (Li-ion) batteries constitute

  6. Oxygen Pathways and Carbon Dioxide Utilization in Methane Partial Oxidation in Ambient Temperature

    E-Print Network [OSTI]

    Mallinson, Richard

    Oxygen Pathways and Carbon Dioxide Utilization in Methane Partial Oxidation in Ambient Temperature and lower environmental impacts make this the carbon-based fuel of choice well into the twenty-first century chemicals.1 There is additional need for new technologies which can also allow recovery of the many remote

  7. DOI: 10.1002/cssc.201000142 Homogeneous Oxidation Reactions of Propanediols at Low

    E-Print Network [OSTI]

    Iglesia, Enrique

    con- version attractive. Glycerol can be converted into 1,3-propane- diol by either enzymatic selectivity in homogeneous 1,3-propane- diol oxidation led us to introduce the acrolein and H2O formed of Chemical Engineering, University of California at Berkeley Berkeley, CA 94720 (USA) Fax: (+1)510-642-4778 E

  8. Theory of the electronic and structural properties of solid state oxides

    SciTech Connect (OSTI)

    Chelikowsky, J.R.

    1990-01-01

    Studies on electronic and structural properties of solid state oxides continued. This quarter, studies have concentrated on silica. Progress is discussed in the following sections: interatomic potentials and the structural properties of silica; chemical reactivity and covalent/metallic bonding on Si clusters; and surface and thermodynamic interatomic forces fields for silicon. 64 refs., 20 figs., 5 tabs. (CBS)

  9. Hafnium-doped tantalum oxide high-k gate dielectric films for future CMOS technology 

    E-Print Network [OSTI]

    Lu, Jiang

    2007-04-25

    A novel high-k gate dielectric material, i.e., hafnium-doped tantalum oxide (Hf-doped TaOx), has been studied for the application of the future generation metal-oxidesemiconductor field effect transistor (MOSFET). The film's electrical, chemical...

  10. Quantifying stratospheric ozone response to changes in methane and nitrous oxide

    E-Print Network [OSTI]

    Bourqui, Michel

    Quantifying stratospheric ozone response to changes in methane and nitrous oxide concentrations of Ozone destruction and creation at different altitudes and concentrations of CH4 and N2O #12;Contents levels have varying conditions and are governed by different chemical regimes We will simulate ozone

  11. Performance Model of the Fluidized Bed Copper Oxide Process for SO2/NOx Control

    E-Print Network [OSTI]

    Frey, H. Christopher

    technology for controlling SO2 and NOx emissions from coal-fired power plants. The development strategies for coal-fired power plants. Details of the IECM's copper oxide process, power plant air preheater via the power plant air preheater. The net chemical reactions occurring in the absorber are: CuO (s

  12. ANALYSIS OF THE ELECTRON EXCITATION SPECTRA IN HEAVY RARE EARTH METALS, HYDRIDES AND OXIDES

    E-Print Network [OSTI]

    Boyer, Edmond

    397 ANALYSIS OF THE ELECTRON EXCITATION SPECTRA IN HEAVY RARE EARTH METALS, HYDRIDES AND OXIDES C thin evaporated foils of heavy rare earths (Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) in three different chemical of high energy incident electrons (75 keV) transmitted through thin foils of yttric rare earth elements

  13. Photochemical Aging of Secondary Organic Aerosol Particles Generated from the Oxidation of d-Limonene

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    Photochemical Aging of Secondary Organic Aerosol Particles Generated from the Oxidation of d are formed, they undergo both physical and chemical aging processes, which may result in large effects to be among the primary aging mechanisms. The direct effects of solar UV-radiation on the composition

  14. Gold catalyst Styrene Benzaldehyde Styrene oxide Acetophenone

    E-Print Network [OSTI]

    Rouyer, Francois

    O O O + + O2 Gold catalyst Styrene Benzaldehyde Styrene oxide Acetophenone studies. However styrene. The reaction chiefly yielded benzaldehyde, with smaller amounts of styrene oxide and acetophenone

  15. New manganese catalyst for light alkane oxidation

    DOE Patents [OSTI]

    Durante, Vincent A. (West Chester, PA); Lyons, James E. (Wallingford, PA); Walker, Darrell W. (Visalia, CA); Marcus, Bonita K. (Radnor, PA)

    1994-01-01

    Aluminophosphates containing manganese in the structural framework are employed for the oxidation of alkanes, for example the vapor phase oxidation of methane to methanol.

  16. Kinetics and dynamics of oxidation reactions involving adsorbed CO species on bulk supported Pt and copper oxides. Final project report, January 1, 1991--December 31, 1993

    SciTech Connect (OSTI)

    Conner, Wm.C.; Harold, M.

    1995-02-01

    This research was an integrated experimental and modeling study of oxidation reactions involving CO as a key player - be it a reactant, adsorbed intermediate, and/or partial oxidation product - in the catalytic sequence and chemistry. The reaction systems of interest in the project include CO, formaldehyde, and methanol oxidation by O{sub 2}, and CO oxidation by NO, on both Pt and copper oxide catalysts. These reactions are of importance in automobile exhaust catalysis. There is a paucity of rate data in the literature for these important environmental control reactions. A complicating factor is the propensity of these reactions to exhibit complex steady state and dynamic behavior, including multiple rate controlling steps, steady state multiplicity, and oscillatory phenomena. Such phenomena are rooted in some of the central issues of catalysis, including adsorbate interactions, and catalyst structural instabilities, such as surface reconstruction and surface chemical changes by oxidation- reduction. The goal of this research is to better understand the catalytic chemistry and kinetics of oxidations reactions involving CO as an adsorbed intermediate. Successfully meeting this goal requires an integration of basic kinetic measurements, in situ catalyst surface monitoring, kinetic modeling, and nonlinear mathematical tools. While the kinetics experiments have standard microreactor design, the potential for multiple and periodic rate states demands detailed procedures to pinpoint the bifurcation (ignition, extinction, Hopf) points. Kinetic models are constructed from rational mechanistic sequences and sound surface chemistry.

  17. Thermo-chemical Modelling of Uranium-free Nitride Fuels Mikael JOLKKONEN1;;y

    E-Print Network [OSTI]

    Haviland, David

    be applied to modelling of oxide and carbide fuels as well. In this paper we give a brief introductionThermo-chemical Modelling of Uranium-free Nitride Fuels Mikael JOLKKONEN1;Ã;y , Marco STREIT2 and accepted December 22, 2003) A production process for americium-bearing, uranium-free nitride fuels

  18. Formation and aging of secondary organic aerosol from toluene: changes in chemical composition, volatility, and hygroscopicity

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

    Hildebrandt Ruiz, L.; Paciga, A. L.; Cerully, K. M.; Nenes, A.; Donahue, N. M.; Pandis, S. N.

    2015-07-24

    Secondary organic aerosol (SOA) is transformed after its initial formation, but this chemical aging of SOA is poorly understood. Experiments were conducted in the Carnegie Mellon environmental chamber to form secondary organic aerosol (SOA) from the photo-oxidation of toluene and other small aromatic volatile organic compounds (VOCs) in the presence of NOx under different oxidizing conditions. The effects of the oxidizing condition on organic aerosol (OA) composition, mass yield, volatility, and hygroscopicity were explored. Higher exposure to the hydroxyl radical resulted in different OA composition, average carbon oxidation state (OSc), and mass yield. The OA oxidation state generally increased duringmore »photo-oxidation, and the final OA OSc ranged from -0.29 to 0.16 in the performed experiments. The volatility of OA formed in these different experiments varied by as much as a factor of 30, demonstrating that the OA formed under different oxidizing conditions can have a significantly different saturation concentration. There was no clear correlation between hygroscopicity and oxidation state for this relatively hygroscopic SOA.« less

  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. Influence of surface coverage on the chemical desorption process

    SciTech Connect (OSTI)

    Minissale, M.; Dulieu, F.

    2014-07-07

    In cold astrophysical environments, some molecules are observed in the gas phase whereas they should have been depleted, frozen on dust grains. In order to solve this problem, astrochemists have proposed that a fraction of molecules synthesized on the surface of dust grains could desorb just after their formation. Recently the chemical desorption process has been demonstrated experimentally, but the key parameters at play have not yet been fully understood. In this article, we propose a new procedure to analyze the ratio of di-oxygen and ozone synthesized after O atoms adsorption on oxidized graphite. We demonstrate that the chemical desorption efficiency of the two reaction paths (O+O and O+O{sub 2}) is different by one order of magnitude. We show the importance of the surface coverage: for the O+O reaction, the chemical desorption efficiency is close to 80% at zero coverage and tends to zero at one monolayer coverage. The coverage dependence of O+O chemical desorption is proved by varying the amount of pre-adsorbed N{sub 2} on the substrate from 0 to 1.5 ML. Finally, we discuss the relevance of the different physical parameters that could play a role in the chemical desorption process: binding energy, enthalpy of formation, and energy transfer from the new molecule to the surface or to other adsorbates.

  1. A Mechanistic Study of Chemically Modified Inorganic Membranes for Gas and Liquid Separations

    SciTech Connect (OSTI)

    Way, J Douglas

    2011-01-21

    This final report will summarize the progress made during the period August 1, 1993 - October 31, 2010 with support from DOE grant number DE-FG03-93ER14363. The objectives of the research have been to investigate the transport mechanisms in micro- and mesoporous, metal oxide membranes and to examine the relationship between the microstructure of the membrane, the membrane surface chemistry, and the separation performance of the membrane. Examples of the membrane materials under investigation are the microporous silica hollow fiber membrane manufactured by PPG Industries, chemically modified mesoporous oxide membranes, and polymer membranes containing microporous oxides (mixed matrix membranes). Analytical techniques such as NMR, FTIR and Raman spectroscopy, thermal analysis, and gas adsorption were used to investigate membrane microstructure and to probe the chemical interactions occurring at the gas-membrane interface.

  2. 198 Chemical Engineering Education AN INTRODUCTION TO

    E-Print Network [OSTI]

    Hesketh, Robert

    198 Chemical Engineering Education AN INTRODUCTION TO DRUG DELIVERY FOR CHEMICAL ENGINEERS- maceutical sciences, engineering, and chemistry. Chemical en- gineers play an important role in this exciting- dergraduate chemical engineering students are rarely exposed to drug delivery through their coursework

  3. Reduction of iron-oxide-carbon composites: part I. Estimation of the rate constants

    SciTech Connect (OSTI)

    Halder, S.; Fruehan, R.J. [Praxair Inc., Tonawanda, NY (United States). Technological Center

    2008-12-15

    A new ironmaking concept using iron-oxide-carbon composite pellets has been proposed, which involves the combination of a rotary hearth furnace (RHF) and an iron bath smelter. This part of the research focuses on studying the two primary chemical kinetic steps. Efforts have been made to experimentally measure the kinetics of the carbon gasification by CO{sub 2} and wustite reduction by CO by isolating them from the influence of heat- and mass-transport steps. A combined reaction model was used to interpret the experimental data and determine the rate constants. Results showed that the reduction is likely to be influenced by the chemical kinetics of both carbon oxidation and wustite reduction at the temperatures of interest. Devolatilized wood-charcoal was observed to be a far more reactive form of carbon in comparison to coal-char. Sintering of the iron-oxide at the high temperatures of interest was found to exert a considerable influence on the reactivity of wustite by virtue of altering the internal pore surface area available for the reaction. Sintering was found to be predominant for highly porous oxides and less of an influence on the denser ores. It was found using an indirect measurement technique that the rate constants for wustite reduction were higher for the porous iron-oxide than dense hematite ore at higher temperatures (> 1423 K). Such an indirect mode of measurement was used to minimize the influence of sintering of the porous oxide at these temperatures.

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

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

    Solutia: Massachusetts Chemical Manufacturer Uses SECURE Methodology to Identify Potential Reductions in Utility and Process Energy Consumption Solutia: Massachusetts Chemical...

  6. Chemical Burn Secondary to Propofol Extravasation

    E-Print Network [OSTI]

    Sharma, Rahul; Yoshikawa, Hana; Abisaab, Josyann

    2012-01-01

    IN E MERGENCY M EDICINE Chemical Burn Secondary to Propofolof Emergency Medicine Chemical Burn Secondary to Propofol

  7. Interdisciplinary: Chemical Engineer/Mechanical Engineer (Pathways...

    Energy Savers [EERE]

    Interdisciplinary: Chemical EngineerMechanical Engineer (Pathways Recent Graduate Program) Interdisciplinary: Chemical EngineerMechanical Engineer (Pathways Recent Graduate...

  8. Multidimensional simulation and chemical kinetics development...

    Energy Savers [EERE]

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

  9. The unfought chemical war

    SciTech Connect (OSTI)

    Freeman, K. (Pennsylvania State Univ., University Park (United States))

    1991-12-01

    In December 1943, in the middle of the scorching northern Australia summer, a young Australian commando, Tom Mitchell, sweated in his respirator and gas-protective clothing as he got ready to take part in a mustard-gas experiment. He grimly watched six US aircraft, B-24 Liberators, drop bombs filled with mustard gas on Brook Island, near Innisfail in the state of Queensland. Ten minutes later, Mitchell was rushing around the island to tend sampling equipment. But a few hours later, he and another Australian soldier were ordered back onto the island - this time, stripped of their respirators and protective clothing. They were forced to camp on the island from dusk to dawn in ordinary clothing without any safety equipment. Mitchell now suffers from lung and heart disease. Last year, nearly 47 years after he was burned, Mitchell settled with the Australian government for $25,000 (Australian). Publicity over his lawsuit, filed in 1981, along with revelations made in a documentary film broadcast in Australia in 1989, has prompted thousands of other Australian survivors of chemical-warfare tests to ask the Australian Department of Veterans Affairs for disability benefits. Veterans of chemical-warfare tests are also breaking their silence in the United States and Canada, stepping forward to seek compensation for their injuries. The impetus behind the US revelations came from a campaign begun in 1989 by Cong. Porter Goss, a Florida Republican, to win benefits for four participants in US Navy mustard-gas tests. During a flurry of publicity in mid-June 1991, the Department of Veterans Affairs announced that it was relaxing its rules to make it easier for World War 2 mustard-gas victims to collect benefits. In Canada, an information hot line run by the Department of National Defense in 1988 and a 1989 book by John Bryden, Deadly Allies: Canada's Secret War 1937-1947, brought the tests to national attention.

  10. Chemical heat pump

    DOE Patents [OSTI]

    Greiner, Leonard (2750-C Segerstrom Ave., Santa Ana, CA 92704)

    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.

  11. Investigation of Mixed Oxide Catalysts for NO Oxidation

    SciTech Connect (OSTI)

    Szanyi, Janos; Karim, Ayman M.; Pederson, Larry R.; Kwak, Ja Hun; Mei, Donghai; Tran, Diana N.; Herling, Darrell R.; Muntean, George G.; Peden, Charles HF; Howden, Ken; Qi, Gongshin; Li, Wei

    2014-12-09

    The oxidation of engine-generated NO to NO2 is an important step in the reduction of NOx in lean engine exhaust because NO2 is required for the performance of the LNT technology [2], and it enhances the activities of ammonia selective catalytic reduction (SCR) catalysts [1]. In particular, for SCR catalysts an NO:NO2 ratio of 1:1 is most effective for NOx reduction, whereas for LNT catalysts, NO must be oxidized to NO2 before adsorption on the storage components. However, NO2 typically constitutes less than 10% of NOx in lean exhaust, so catalytic oxidation of NO is essential. Platinum has been found to be especially active for NO oxidation, and is widely used in DOC and LNT catalysts. However, because of the high cost and poor thermal durability of Pt-based catalysts, there is substantial interest in the development of alternatives. The objective of this project, in collaboration with partner General Motors, is to develop mixed metal oxide catalysts for NO oxidation, enabling lower precious metal usage in emission control systems. [1] M. Koebel, G. Madia, and M. Elsener, Catalysis Today 73, 239 (2002). [2] C. H. Kim, G. S. Qi, K. Dahlberg, and W. Li, Science 327, 1624 (2010).

  12. Oxidation of coal and coal pyrite mechanisms and influence on surface characteristics. Technical progress report, September 30, 1992

    SciTech Connect (OSTI)

    Doyle, F.M.

    1992-12-31

    The objective of this research is to develop a mechanistic understanding of the oxidation of coal and coal pyrite, and to correlate the intrinsic physical and chemical properties of these minerals, along with changes resulting from oxidation, with those surface properties that influence the behavior in physical cleaning processes. The results will provide fundamental insight into oxidation, in terms of the bulk and surface chemistry, the microstructure, and the semiconductor properties of the pyrite. During the eighth quarter, wet chemical and dry oxidation tests were done on Upper Freeport coal from the Troutville {number_sign}2 Mine, Clearfield County, Pennsylvania. In addition electrochemical experiments were done on electrodes prepared from Upper Freeport coal pyrite and Pittsburgh coal pyrite samples provided by the US Bureau of Mines, Pittsburgh Research Center, Pennsylvania.

  13. Origin of fast electrons in catalytic hydrogen oxidation over platinum

    E-Print Network [OSTI]

    Maximoff, Sergey N

    2014-01-01

    Adsorption of small molecules and chemical reactions at metal surfaces always excite low energy electron-hole pairs since the electron-hole pair excitations are gapless. In an example catalytic process, $\\mathrm{H_2}$ oxidation by $\\mathrm{O_2}$ into $\\mathrm{H_2O}$ over a platinum surface $\\mathrm{Pt(111)}$, this report explains that a different mechanism must also excite a non-equilibrium population of fast electrons, which arise as charged surface intermediates develop and then discharge during rapid electron transfer events. The empirical evidence and quantum chemistry calculations further reveal that the transition states in the $\\mathrm{H_2}$ oxidation are the lowest threshold configurations for changing the charge of the negatively charged surface intermediates as in, e.g., $``\\mathrm{O^-+H^-}"\\rightleftarrows [``\\mathrm{O^-+H+e}"]^{\

  14. Apparatus and method for stabilization or oxidation of polymeric materials

    DOE Patents [OSTI]

    Paulauskas, Felix L. (Knoxville, TN) [Knoxville, TN; Sherman, Daniel M. (Knoxville, TN) [Knoxville, TN

    2010-01-19

    An apparatus for treating polymeric materials comprises a treatment chamber adapted to maintain a selected atmosphere at a selected temperature; a means for supporting the polymeric material within the chamber; and, a source of ozone-containing gas, which decomposes at the selected temperature yielding at least one reactive oxidative species whereby the polymer is stabilized and cross linked through exposure to the oxidative species in the chamber at the selected temperature. The ozone may be generated by a plasma discharge or by various chemical processes. The apparatus may be configured for either batch-type or continuous-type processing. The apparatus and method are especially useful for preparing polymer fibers, particularly PAN fibers, for later carbonization treatments as well as to make flame-retardant fabrics.

  15. Published: March 29, 2011 r 2011 American Chemical Society 2079 dx.doi.org/10.1021/om2002365 |Organometallics 2011, 30, 20792082

    E-Print Network [OSTI]

    Goddard III, William A.

    for methane hydroxylation are based on strongly electro- philic and oxidizing cations such as Hg(II),4 PtPublished: March 29, 2011 r 2011 American Chemical Society 2079 dx.doi.org/10.1021/om2002365, Beckman Institute, Division of Chemistry and Chemical Engineering, California Institute of Technology

  16. With the aid of metabolic pathways engineering, microbes are finding increased use as biocatalysts to convert renewable biomass resources into fine chemicals, pharmaceuticals and

    E-Print Network [OSTI]

    recently been engineered to produce the aromatic chemicals (S)-styrene oxide and phenol directly from as a process engineering tool. Chemical Engineering Master's Defense Improving Yields and ProductivityWith the aid of metabolic pathways engineering, microbes are finding increased use as biocatalysts

  17. Organic chemical aging mechanisms: An annotated bibliography. Waste Tank Safety Program

    SciTech Connect (OSTI)

    Samuels, W.D.; Camaioni, D.M.; Nelson, D.A.

    1993-09-01

    An annotated bibliography has been compiled of the potential chemical and radiological aging mechanisms of the organic constituents (non-ferrocyanide) that would likely be found in the UST at Hanford. The majority of the work that has been conducted on the aging of organic chemicals used for extraction and processing of nuclear materials has been in conjunction with the acid or PUREX type processes. At Hanford the waste being stored in the UST has been stabilized with caustic. The aging factors that were used in this work were radiolysis, hydrolysis and nitrite/nitrate oxidation. The purpose of this work was two-fold: to determine whether or not research had been or is currently being conducted on the species associated with the Hanford UST waste, either as a mixture or as individual chemicals or chemical functionalities, and to determine what areas of chemical aging need to be addressed by further research.

  18. Nanostructured Metal Oxide Anodes (Presentation)

    SciTech Connect (OSTI)

    Dillon, A. C.; Riley, L. A.; Lee, S.-H.; Kim, Y.-H.; Ban, C.; Gillaspie, D. T.; Pesaran, A.

    2009-05-01

    This summarizes NREL's FY09 battery materials research activity in developing metal oxide nanostructured anodes to enable high-energy, durable and affordable li-ion batteries for HEVs and PHEVs.

  19. Oxides having high energy densities

    DOE Patents [OSTI]

    Ceder, Gerbrand; Kang, Kisuk

    2013-09-10

    Certain disclosed embodiments generally relate to oxide materials having relatively high energy and/or power densities. Various aspects of the embodiments are directed to oxide materials having a structure B.sub.i(M.sub.jY.sub.k)O.sub.2, for example, a structure Li.sub.j(Ni.sub.jY.sub.k)O.sub.2 such as Li(Ni.sub.0.5Mn.sub.0.5)O.sub.2. In this structure, Y represents one or more atoms, each independently selected from the group consisting of alkaline earth metals, transition metals, Group 14 elements, Group 15, or Group 16 elements. In some embodiments, such an oxide material may have an O3 crystal structure, and/or a layered structure such that the oxide comprises a plurality of first, repeating atomic planes comprising Li, and a plurality of second, repeating atomic planes comprising Ni and/or Y.

  20. Chemical Engineering | More Science | ORNL

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

    Chemical and Engineering Materials Clean Energy Nuclear Sciences Computer Science Earth and Atmospheric Sciences Materials Science and Engineering Mathematics Physics Environment...

  1. 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.

  2. Bioengineering/Chemical Engineering Building,

    E-Print Network [OSTI]

    Bogyo, Matthew

    BioE/ChemE Building Bioengineering/Chemical Engineering Building, Under Construction Lucile Packard Graduate Residences Sterling Quad Mirrielees Pearce Mitchell Houses Stanford Hospital Varsity Lot Jordan

  3. FAQS Reference Guide- Chemical Processing

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  4. Markers of chemically induced cancer

    SciTech Connect (OSTI)

    Freeman, G.; Milman, H.A. (eds.)

    1984-01-01

    This book is a concise review and evaluation of available data for recognizing and measuring markers of cancer or oncogenesis provoked in vivo by chemicals using relatively short-term experiments in animals. This review focuses on biochemical and immunological changes that correlate with carcinogenicity. Such ''markers,'' if occurring early enough, may be used to predict the onset of cancer in experimental animals exposed to potential chemical carcinogens long before morphological changes are seen. It is by examining all the information available about the potential carcinogenicity of chemicals that proper decisions can be made towards limiting the risk of cancer due to exposure to chemical carcinogens.

  5. Process Intensification - Chemical Sector Focus

    Office of Environmental Management (EM)

    with opportunity space in 76 chemicals, petroleum refining, plastics, forest products, oil and gas production, and food industries 77 among others. PI innovation could deliver...

  6. Introduction Transparent conducting oxides (TCOs)

    E-Print Network [OSTI]

    Poeppelmeier, Kenneth R.

    , In3 , Ga3 , and Sn4 ). Four of these form TCOs as single-cation oxides (ZnO, CdO, In2O3, and SnO2 for more than 50 years, pri- marily in the form of doped single-cation oxides such as In2O3 and SnO2) when appro- priately doped, whereas Ga2O3 is a wide- bandgap insulator. There are 10 binary, 10 ternary

  7. Chemical engineers design, control and optimize large-scale chemical,

    E-Print Network [OSTI]

    Rohs, Remo

    of equilibrium phase relations and principles of material and energy balance for design, operation of Probability and Statistics for Chemical Engineers (3, Fa) Principles of probability and statistics, random to Biomaterials and Tissue Engineering (3, Fa) (Enroll in BME 410) CHE 442 Chemical Reactor Analysis (3, Fa) Basic

  8. INCOMPATIBLE CHEMICAL LIST PRUDENT PRACTICES FOR HANDLING CHEMICALS IN LABORATORIES

    E-Print Network [OSTI]

    Zhang, Zhongfei "Mark"

    of Incompatible Chemicals CHEMICAL IS INCOMPATIBLE WITH Acetic Acid Chromic acid, nitric acid, hydroxyl compounds, finely divided organic or combustible materials Chromic acid and chromium trioxide Acetic acid Acetylene, fulminic acid, ammonia Nitrates Sulfuric acid Nitric acid (concentrated) Acetic acid, aniline

  9. UCI Chemical Hygiene Plan i August 2014 CHEMICAL HYGIENE PLAN

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    UCI Chemical Hygiene Plan i August 2014 CHEMICAL HYGIENE PLAN University of California, Irvine Environmental Health and Safety 4600 Health Sciences Road, Irvine, California 92697-2725 (949) 824-6200, Fax......................................................................................5-1 Chapter 6: Inventory, Labeling, Storage, , and Transport

  10. Thin film hydrous metal oxide catalysts

    DOE Patents [OSTI]

    Dosch, Robert G. (Albuquerque, NM); Stephens, Howard P. (Albuquerque, NM)

    1995-01-01

    Thin film (<100 nm) hydrous metal oxide catalysts are prepared by 1) synthesis of a hydrous metal oxide, 2) deposition of the hydrous metal oxide upon an inert support surface, 3) ion exchange with catalytically active metals, and 4) activating the hydrous metal oxide catalysts.

  11. Electronic Transitions in Perovskite Oxide Heterostructures

    E-Print Network [OSTI]

    Wong, Franklin

    2011-01-01

    perovskite . . . . . . . . . . . . . . . . . . . . . . . . . . . . .21 i The distorted perovskite . . . . . . . .Basic Aspects of Correlated Perovskite Oxides The Perovskite

  12. Tantalum-Tungsten Oxide Thermite Composite Prepared by Sol-Gel Synthesis and Spark Plasma Sintering

    SciTech Connect (OSTI)

    Cervantes, O; Kuntz, J; Gash, A; Munir, Z

    2009-02-13

    Energetic composite powders consisting of sol-gel derived nanostructured tungsten oxide were produced with various amounts of micrometer-scale tantalum fuel metal. Such energetic composite powders were ignition tested and results show that the powders are not sensitive to friction, spark and/or impact ignition. Initial consolidation experiments, using the High Pressure Spark Plasma Sintering (HPSPS) technique, on the sol-gel derived nanostructured tungsten oxide produced samples with higher relative density than can be achieved with commercially available tungsten oxide. The sol-gel derived nanostructured tungsten oxide with immobilized tantalum fuel metal (Ta - WO{sub 3}) energetic composite was consolidated to a density of 9.17 g.cm{sup -3} or 93% relative density. In addition those parts were consolidated without significant pre-reaction of the constituents, thus the sample retained its stored chemical energy.

  13. Method and apparatus for chemically altering fluids in continuous flow

    DOE Patents [OSTI]

    Heath, William O. (Richland, WA); Virden, Jr., Judson W. (Richland, WA); Richardson, R. L. (West Richland, WA); Bergsman, Theresa M. (Richland, WA)

    1993-01-01

    The present invention relates to a continuous flow fluid reactor for chemically altering fluids. The reactor operates on standard frequency (50 to 60 Hz) electricity. The fluid reactor contains particles that are energized by the electricity to form a corona throughout the volume of the reactor and subsequently a non-equilibrium plasma that interacts with the fluid. Particles may form a fixed bed or a fluid bed. Electricity may be provided through electrodes or through an inductive coil. Fluids include gases containing exhaust products and organic fuels requiring oxidation.

  14. Method and apparatus for chemically altering fluids in continuous flow

    DOE Patents [OSTI]

    Heath, W.O.; Virden, J.W. Jr.; Richardson, R.L.; Bergsman, T.M.

    1993-10-19

    The present invention relates to a continuous flow fluid reactor for chemically altering fluids. The reactor operates on standard frequency (50 to 60 Hz) electricity. The fluid reactor contains particles that are energized by the electricity to form a corona throughout the volume of the reactor and subsequently a non-equilibrium plasma that interacts with the fluid. Particles may form a fixed bed or a fluid bed. Electricity may be provided through electrodes or through an inductive coil. Fluids include gases containing exhaust products and organic fuels requiring oxidation. 4 figures.

  15. In situ reduction and oxidation of nickel from solid oxide fuel cells in a Titan ETEM

    E-Print Network [OSTI]

    Dunin-Borkowski, Rafal E.

    In situ reduction and oxidation of nickel from solid oxide fuel cells in a Titan ETEM A. Faes1. C. Singhal, K. Kendall, High Temperature Solid Oxide Fuel Cell - Fundamentals, Design, Denmark antonin.faes@epfl.ch Keywords: In situ ETEM, nickel oxide, reduction, RedOx, SOFC Solid Oxide Fuel

  16. Chemical Technology Division annual technical report, 1986

    SciTech Connect (OSTI)

    Not Available

    1987-06-01

    Highlights of the Chemical Technology (CMT) Division's activities during 1986 are presented. In this period, CMT conducted research and development in areas that include the following: (1) high-performance batteries - mainly lithium-alloy/metal sulfide and sodium/sulfur; (2) aqueous batteries (lead-acid, nickel/iron, etc.); (3) advanced fuel cells with molten carbonate or solid oxide electrolytes; (4) coal utilization, including the heat and seed recovery technology for coal-fired magnetohydrodynamics plants, the technology for fluidized-bed combustion, and a novel concept for CO/sub 2/ recovery from fossil fuel combustion; (5) methods for recovery of energy from municipal waste; (6) methods for the electromagnetic continuous casting of steel sheet; (7) techniques for treatment of hazardous waste such as reactive metals and trichloroethylenes; (8) nuclear technology related to waste management, a process for separating and recovering transuranic elements from nuclear waste, and the recovery processes for discharged fuel and the uranium blanket in a sodium-cooled fast reactor; and (9) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also has a program in basic chemistry research in the areas of catalytic hydrogenation and catalytic oxidation; materials chemistry for associated and ordered solutions at high temperatures; interfacial processes of importance to corrosion science, surface science, and catalysis; the thermochemistry of zeolites and related silicates; and the geochemical processes responsible for trace-element migration within the earth's crust. The Division continued to be the major user of the technical support provided by the Analytical Chemistry Laboratory at ANL. 127 refs., 71 figs., 8 tabs.

  17. Chemical Technology Division annual technical report 1989

    SciTech Connect (OSTI)

    Not Available

    1990-03-01

    Highlights of the Chemical Technology (CMT) Division's activities during 1989 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including high-performance batteries (mainly lithium/iron sulfide and sodium/metal chloride), aqueous batteries (lead-acid and nickel/iron), and advanced fuel cells with molten carbonate and solid oxide electrolytes: (2) coal utilization, including the heat and seed recovery technology for coal-fired magnetohydrodynamics plants and the technology for fluidized-bed combustion; (3) methods for recovery of energy from municipal waste and techniques for treatment of hazardous organic waste; (4) nuclear technology related to a process for separating and recovering transuranic elements from nuclear waste and for producing {sup 99}Mo from low-enriched uranium targets, the recovery processes for discharged fuel and the uranium blanket in a sodium-cooled fast reactor (the Integral Fast Reactor), and waste management; and (5) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also has a program in basic chemistry research in the areas of fluid catalysis for converting small molecules to desired products; materials chemistry for superconducting oxides and associated and ordered solutions at high temperatures; interfacial processes of importance to corrosion science, high-temperature superconductivity, and catalysis; and the geochemical processes responsible for trace-element migration within the earth's crust. The Division continued to be administratively responsible for and the major user of the Analytical Chemistry Laboratory at Argonne National Laboratory (ANL).

  18. Method for plating with metal oxides

    DOE Patents [OSTI]

    Silver, G.L.; Martin, F.S.

    1994-08-23

    A method is disclosed of plating hydrous metal oxides on at least one substrate, which method is indifferent to the electrochemical properties of the substrate, and comprises reacting metallic ions in aqueous solution with an appropriate oxidizing agent such as sodium hypochlorite or calcium sulfite with oxygen under suitable conditions of pH and concentration such that oxidation and precipitation of metal oxide are sufficiently slow to allow satisfactory plating of metal oxide on the substrate. 1 fig.

  19. Method for plating with metal oxides

    DOE Patents [OSTI]

    Silver, Gary L. (Centerville, OH); Martin, Frank S. (Farmersville, OH)

    1994-08-23

    A method of plating hydrous metal oxides on at least one substrate, which method is indifferent to the electrochemical properties of the substrate, and comprises reacting metallic ions in aqueous solution with an appropriate oxidizing agent such as sodium hypochlorite or calcium sulfite with oxygen under suitable conditions of pH and concentration such that oxidation and precipitation of metal oxide are sufficiently slow to allow satisfactory plating of metal oxide on the substrate.

  20. DEGRADATION ISSUES IN SOLID OXIDE CELLS DURING HIGH TEMPERATURE ELECTROLYSIS

    SciTech Connect (OSTI)

    M. S. Sohal; J. E. O'Brien; C. M. Stoots; V. I. Sharma; B. Yildiz; A. Virkar

    2012-02-01

    Idaho National Laboratory (INL) is performing high-temperature electrolysis research to generate hydrogen using solid oxide electrolysis cells (SOECs). The project goals are to address the technical and degradation issues associated with the SOECs. This paper provides a summary of various ongoing INL and INL sponsored activities aimed at addressing SOEC degradation. These activities include stack testing, post-test examination, degradation modeling, and a list of issues that need to be addressed in future. Major degradation issues relating to solid oxide fuel cells (SOFC) are relatively better understood than those for SOECs. Some of the degradation mechanisms in SOFCs include contact problems between adjacent cell components, microstructural deterioration (coarsening) of the porous electrodes, and blocking of the reaction sites within the electrodes. Contact problems include delamination of an electrode from the electrolyte, growth of a poorly (electronically) conducting oxide layer between the metallic interconnect plates and the electrodes, and lack of contact between the interconnect and the electrode. INL's test results on high temperature electrolysis (HTE) using solid oxide cells do not provide a clear evidence whether different events lead to similar or drastically different electrochemical degradation mechanisms. Post-test examination of the solid oxide electrolysis cells showed that the hydrogen electrode and interconnect get partially oxidized and become non-conductive. This is most likely caused by the hydrogen stream composition and flow rate during cool down. The oxygen electrode side of the stacks seemed to be responsible for the observed degradation due to large areas of electrode delamination. Based on the oxygen electrode appearance, the degradation of these stacks was largely controlled by the oxygen electrode delamination rate. University of Utah (Virkar) has developed a SOEC model based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic non-equilibrium. This model is under continued development. It shows that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential, within the electrolyte. The chemical potential within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just under the oxygen electrode (anode)/electrolyte interface, leading to electrode delamination. This theory is being further refined and tested by introducing some electronic conduction in the electrolyte.

  1. Clare Reimers Professor, Chemical Oceanography

    E-Print Network [OSTI]

    Kurapov, Alexander

    Clare Reimers Professor, Chemical Oceanography Clare Reimers, Professor of Chemical Oceanography research, education and outreach in fields including geology, oceanography, atmospheric sciences, volcanism in 1976 from the University of Virginia. She received an MS in Oceanography in 1978 and a PhD in 1982 from

  2. Chemical Evolution in Omega Centauri

    E-Print Network [OSTI]

    Verne V. Smith

    2003-10-22

    The globular cluster Omega Centauri displays evidence of a complex star formation history and peculiar internal chemical evolution, setting it apart from essentially all other globular clusters of the Milky Way. In this review we discuss the nature of the chemical evolution that has occurred within Omega Cen and attempt to construct a simple scenario to explain its chemistry.

  3. Fly Ash and Mercury Oxidation/Chlorination Reactions

    SciTech Connect (OSTI)

    Sukh Sidhu; Patanjali Varanasi

    2008-12-31

    Mercury is a known pollutant that has detrimental effect on human health and environment. The anthropogenic emissions of mercury account for 10 to 30% of worldwide mercury emissions. There is a need to control/reduce anthropogenic mercury emissions. Many mercury control technologies are available but their effectiveness is dependent on the chemical form of mercury, because different chemical forms of mercury have different physical and chemical properties. Mercury leaves the boiler in its elemental form but goes through various transformations in the post-combustion zone. There is a need to understand how fly ash and flue gas composition affect speciation, partitioning, and reactions of mercury under the full range of post-combustion zone conditions. This knowledge can then be used to predict the chemical transformation of mercury (elemental, oxidized or particulate) in the post combustion zone and thus help with the control of mercury emissions from coal-burning power plants. To accomplish this goal present study was conducted using five coal fly ashes. These ashes were characterized and their catalytic activity was compared under selected reaction conditions in a fixed bed reactor. Based on the results from these fly ash experiments, three key components (carbon, iron oxide and calcium oxide) were chosen. These three components were then used to prepare model fly ashes. Silica/alumina was used as a base for these model fly ashes. One, two or three component model fly ashes were then prepared to investigate mercury transformation reactions. The third set of experiments was performed with CuO and CuCl2 catalysts to further understand the mercury oxidation process. Based on the results of these three studies the key components were predicted for different fly ash compositions under variety of flue gas conditions. A fixed bed reactor system was used to conduct this study. In all the experiments, the inlet concentration of Hg0(g) was maintained at 35 {micro}g/m3 using a diffusion tube as the source of Hg0(g). All experiments were conducted using 4% O2 in nitrogen mix as a reaction gas, and other reactants (HCl, H2O and SO2, NO2, Br2) were added as required. The fixed bed reactor was operated over a temperature range of 200 to 400 C. In each experiment, the reactor effluent was analyzed using the modified Ontario-Hydro method. After each experiment, fly ash particles were also analyzed for mercury. The results show that the ability of fly ash to adsorb and/or oxidize mercury is primarily dependent on its carbon, iron and calcium content. There can be either one or more than one key component at a particular temperature and flue gas condition. Surface area played a secondary role in effecting the mercury transformations when compared to the concentration of the key component in the fly ash. Amount of carbon and surface area played a key important role in the adsorption of mercury. Increased concentration of gases in the flue gas other than oxygen and nitrogen caused decreased the amount of mercury adsorbed on carbon surface. Mercury adsorption by iron oxide primarily depended on the crystalline structure of iron oxide. {alpha}-Iron oxide had no effect on mercury adsorption or oxidation under most of the flue gas conditions, but ?-iron oxide adsorbed mercury under most of the flue gas conditions. Bromine is a very good oxidizing agent for mercury. But in the presence of calcium oxide containing fly ashes, all the oxidized mercury would be reduced to elemental form. Among the catalysts, it was observed that presence of free lattice chlorine in the catalyst was very important for the oxidation of mercury. But instead of using the catalyst alone, using it along with carbon may better serve the purpose by providing the adsorption surface for mercury and also some extra surface area for the reaction to occur (especially for fly ashes with low surface area).

  4. Plasmonic transparent conducting metal oxide nanoparticles and films for optical sensing applications

    DOE Patents [OSTI]

    Ohodnicki, Jr., Paul R; Wang, Congjun; Andio, Mark A

    2014-01-28

    The disclosure relates to a method of detecting a change in a chemical composition by contacting a doped oxide material with a monitored stream, illuminating the doped oxide material with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The doped metal oxide has a carrier concentration of at least 10.sup.18/cm.sup.3, a bandgap of at least 2 eV, and an electronic conductivity of at least 10.sup.1 S/cm, where parameters are specified at a temperature of 25.degree. C. The optical response of the doped oxide materials results from the high carrier concentration of the doped metal oxide, and the resulting impact of changing gas atmospheres on that relatively high carrier concentration. These changes in effective carrier densities of conducting metal oxide nanoparticles are postulated to be responsible for the change in measured optical absorption associated with free carriers. Exemplary doped metal oxides include but are not limited to Al-doped ZnO, Sn-doped In.sub.2O.sub.3, Nb-doped TiO.sub.2, and F-doped SnO.sub.2.

  5. Electronically conducting metal oxide nanoparticles and films for optical sensing applications

    DOE Patents [OSTI]

    Ohodnicki, Jr., Paul R.; Wang, Congjun; Andio, Mark A

    2014-09-16

    The disclosure relates to a method of detecting a change in a chemical composition by contacting a conducting oxide material with a monitored stream, illuminating the conducting oxide material with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The conducting metal oxide has a carrier concentration of at least 10.sup.17/cm.sup.3, a bandgap of at least 2 eV, and an electronic conductivity of at least 10.sup.-1 S/cm, where parameters are specified at the gas stream temperature. The optical response of the conducting oxide materials is proposed to result from the high carrier concentration and electronic conductivity of the conducting metal oxide, and the resulting impact of changing gas atmospheres on that relatively high carrier concentration and electronic conductivity. These changes in effective carrier densities and electronic conductivity of conducting metal oxide films and nanoparticles are postulated to be responsible for the change in measured optical absorption associated with free carriers. Exemplary conducting metal oxides include but are not limited to Al-doped ZnO, Sn-doped In.sub.2O.sub.3, Nb-doped TiO.sub.2, and F-doped SnO.sub.2.

  6. Method of forming a chemical composition

    DOE Patents [OSTI]

    Bingham, Dennis N. (Idaho Falls, ID); Wilding, Bruce M. (Idaho Falls, ID); Klingler, Kerry M. (Idaho Falls, ID); Zollinger, William T. (Idaho Falls, ID); Wendt, Kraig M. (Idaho Falls, ID)

    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.

  7. Chemical analysis quality assurance at the Idaho Chemical Processing Plant

    SciTech Connect (OSTI)

    Hand, R.L.; Anselmo, R.W.; Black, D.B.; Jacobson, J.J.; Lewis, L.C.; Marushia, P.C.; Spraktes, F.W.; Zack, N.R.

    1985-01-01

    The Idaho Chemical Processing Plant (ICPP) is a uranium reprocessing facility operated by Westinghouse Idaho Nuclear Company for the Department of Energy at the Idaho National Engineering Laboratory (INEL). The chemical analysis support required for the plant processes is provided by a chemical analysis staff of 67 chemists, analysts, and support personnel. The documentation and defense of the chemical analysis data at the ICPP has evolved into a complete chemical analysis quality assurance program with training/qualification and requalification, chemical analysis procedures, records management and chemical analysis methods quality control as major elements. The quality assurance procedures are implemented on a central analytical computer system. The individual features provided by the computer system are automatic method selection for process streams, automation of method calculations, automatic assignment of bias and precision estimates at analysis levels to all method results, analyst specific daily requalification or with-method-use requalification, untrained or unqualified analyst method lockout, statistical testing of process stream results for replicate agreement, automatic testing of process results against pre-established operating, safety, or failure limits at varying confidence levels, and automatic transfer and report of analysis data plus the results of all statistical testing to the Production Department.

  8. THE JOURNAL OF CHEMICAL PHYSICS 135, 084103 (2011) How accurate are the nonlinear chemical Fokker-Planck and chemical

    E-Print Network [OSTI]

    Straube, Arthur V.

    2011-01-01

    THE JOURNAL OF CHEMICAL PHYSICS 135, 084103 (2011) How accurate are the nonlinear chemical Fokker-Planck and chemical Langevin equations? Ramon Grima,1,a) Philipp Thomas,1,2 and Arthur V. Straube2 1 School August 2011) The chemical Fokker-Planck equation and the corresponding chemical Langevin equation are com

  9. Low Temperature Constrained Sintering of Cerium Gadolinium Oxide Films for Solid Oxide Fuel Cell Applications

    E-Print Network [OSTI]

    Nicholas, Jason.D.

    2007-01-01

    Films for Solid Oxide Fuel Cell Applications by Jason Dalefor Solid Oxide Fuel Cell Applications Copyright 2007 byFilms for Solid Oxide Fuel Cell Applications by Jason Dale

  10. Nitrous Oxide Nitrous oxide (chemical formula N2O), is a trace gas in Earth's atmosphere, with a

    E-Print Network [OSTI]

    Stevenson, David

    is from the use of nitrogenous fertilizer in the agricultural sector; others include combustion of fossil radiative forcing following a 1 kg pulse emission of N2O, relative to the same quantity following a 1 kg pulse emission of CO2. The GWP time horizon must also be specified ­ typically it is 100 yr, but IPCC

  11. Solid oxide electrochemical reactor science.

    SciTech Connect (OSTI)

    Sullivan, Neal P.; Stechel, Ellen Beth; Moyer, Connor J.; Ambrosini, Andrea; Key, Robert J.

    2010-09-01

    Solid-oxide electrochemical cells are an exciting new technology. Development of solid-oxide cells (SOCs) has advanced considerable in recent years and continues to progress rapidly. This thesis studies several aspects of SOCs and contributes useful information to their continued development. This LDRD involved a collaboration between Sandia and the Colorado School of Mines (CSM) ins solid-oxide electrochemical reactors targeted at solid oxide electrolyzer cells (SOEC), which are the reverse of solid-oxide fuel cells (SOFC). SOECs complement Sandia's efforts in thermochemical production of alternative fuels. An SOEC technology would co-electrolyze carbon dioxide (CO{sub 2}) with steam at temperatures around 800 C to form synthesis gas (H{sub 2} and CO), which forms the building blocks for a petrochemical substitutes that can be used to power vehicles or in distributed energy platforms. The effort described here concentrates on research concerning catalytic chemistry, charge-transfer chemistry, and optimal cell-architecture. technical scope included computational modeling, materials development, and experimental evaluation. The project engaged the Colorado Fuel Cell Center at CSM through the support of a graduate student (Connor Moyer) at CSM and his advisors (Profs. Robert Kee and Neal Sullivan) in collaboration with Sandia.

  12. X-ray Microspectroscopy and Chemical Reactions in Soil Microsites

    SciTech Connect (OSTI)

    D Hesterberg; M Duff; J Dixon; M Vepraskas

    2011-12-31

    Soils provide long-term storage of environmental contaminants, which helps to protect water and air quality and diminishes negative impacts of contaminants on human and ecosystem health. Characterizing solid-phase chemical species in highly complex matrices is essential for developing principles that can be broadly applied to the wide range of notoriously heterogeneous soils occurring at the earth's surface. In the context of historical developments in soil analytical techniques, we describe applications of bulk-sample and spatially resolved synchrotron X-ray absorption spectroscopy (XAS) for characterizing chemical species of contaminants in soils, and for determining the uniqueness of trace-element reactivity in different soil microsites. Spatially resolved X-ray techniques provide opportunities for following chemical changes within soil microsites that serve as highly localized chemical micro- (or nano-)reactors of unique composition. An example of this microreactor concept is shown for micro-X-ray absorption near edge structure analysis of metal sulfide oxidation in a contaminated soil. One research challenge is to use information and principles developed from microscale soil chemistry for predicting macroscale and field-scale behavior of soil contaminants.

  13. Plasma-chemical waste treatment of acid gases

    SciTech Connect (OSTI)

    Harkness, J.B.L.; Doctor, R.D.; Daniels, E.J.

    1993-09-01

    The research to date has shown that a H{sub 2}S waste-treatment process based on plasma-chemical dissociation technology is compatible with refinery and high-carbon-oxide acid-gas streams. The minor amounts of impurities produced in the plasma-chemical reactor should be treatable by an internal catalytic reduction step. Furthermore, the plasma-chemical technology appears to be more efficient and more economical than the current technology. The principal key to achieving high conversions with relatively low energies of dissociation is the concept of the high-velocity, cyclonic-flow pattern in the plasma reaction zone coupled with the recycling of unconverted hydrogen sulfide. Future work will include testing the effects of components that might be carried over to the plasma reactor by ``upset`` conditions in the amine purification system of a plant and testing the plasma-chemical process on other industrial wastes streams that contain potentially valuable chemical reagents. The strategy for the commercialization of this technology is to form a Cooperative Research and Development Agreement with the Institute of Hydrogen Energy and Plasma Technology of the Russian Scientific Center/Kurchatov Institute and with an American start-up company to develop an ``American`` version of the process and to build a commercial-scale demonstration unit in the United States. The timetable proposed would involve building a ``field test`` facility which would test the plasma-chemical reactor and sulfur recovery unit operations on an industrial hydrogen sulfide waste s at a scale large enough to obtain the energy and material balance data required for a final analysis of the commercial potential of this technology. The field test would then be followed by construction of a commercial demonstration unit in two to three years. The commercial demonstration unit would be a fully integrated plant consisting of one commercial-scale module.

  14. The effect of different annealing temperatures on tin and cadmium telluride phases obtained by a modified chemical route

    SciTech Connect (OSTI)

    Mesquita, Anderson Fuzer; Porto, Arilza de Oliveira; Magela de Lima, Geraldo; Paniago, Roberto; Ardisson, José Domingos

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ? Synthesis of cadmium and tin telluride. ? Chemical route to obtain pure crystalline cadmium and tin telluride. ? Effect of the annealing temperature on the crystalline phases. ? Removal of tin oxide as side product through thermal treatment. -- Abstract: In this work tin and cadmium telluride were prepared by a modification of a chemical route reported in the literature to obtain metallacycles formed by oxidative addition of tin-tellurium bonds to platinum (II). Through this procedure it was possible to obtain tin and cadmium telluride. X-ray diffraction and X-ray photoelectron spectroscopy were used to identify the crystalline phases obtained as well as the presence of side products. In the case of tin telluride it was identified potassium chloride, metallic tellurium and tin oxide as contaminants. The tin oxidation states were also monitored by {sup 119}Sn Mössbauer spectroscopy. The annealing in hydrogen atmosphere was chosen as a strategy to reduce the tin oxide and promote its reaction with the excess of tellurium present in the medium. The evolution of this tin oxide phase was studied through the annealing of the sample at different temperatures. Cadmium telluride was obtained with high degree of purity (98.5% relative weight fraction) according to the Rietveld refinement of X-ray diffraction data. The modified procedure showed to be very effective to obtain amorphous tin and cadmium telluride and the annealing at 450 °C has proven to be useful to reduce the amount of oxide produced as side product.

  15. Process for the conversion of and aqueous biomass hydrolyzate into fuels or chemicals by the selective removal of fermentation inhibitors

    DOE Patents [OSTI]

    Hames, Bonnie R. (Westminster, CO); Sluiter, Amie D. (Arvada, CO); Hayward, Tammy K. (Broomfield, CO); Nagle, Nicholas J. (Broomfield, CO)

    2004-05-18

    A process of making a fuel or chemical from a biomass hydrolyzate is provided which comprises the steps of providing a biomass hydrolyzate, adjusting the pH of the hydrolyzate, contacting a metal oxide having an affinity for guaiacyl or syringyl functional groups, or both and the hydrolyzate for a time sufficient to form an adsorption complex; removing the complex wherein a sugar fraction is provided, and converting the sugar fraction to fuels or chemicals using a microorganism.

  16. Method for hot pressing beryllium oxide articles

    DOE Patents [OSTI]

    Ballard, Ambrose H. (Oak Ridge, TN); Godfrey, Jr., Thomas G. (Oak Ridge, TN); Mowery, Erb H. (Clinton, TN)

    1988-01-01

    The hot pressing of beryllium oxide powder into high density compacts with little or no density gradients is achieved by employing a homogeneous blend of beryllium oxide powder with a lithium oxide sintering agent. The lithium oxide sintering agent is uniformly dispersed throughout the beryllium oxide powder by mixing lithium hydroxide in an aqueous solution with beryllium oxide powder. The lithium hydroxide is converted in situ to lithium carbonate by contacting or flooding the beryllium oxide-lithium hydroxide blend with a stream of carbon dioxide. The lithium carbonate is converted to lithium oxide while remaining fixed to the beryllium oxide particles during the hot pressing step to assure uniform density throughout the compact.

  17. Experimental characterization and chemical kinetics study of chemical looping combustion

    E-Print Network [OSTI]

    Chen, Tianjiao, S.M. Massachusetts Institute of Technology

    2014-01-01

    Chemical looping combustion (CLC) is one of the most promising technologies to achieve carbon capture in fossil fuel power generation plants. A novel rotary-bed reactor concept was proposed by Zhao et. al. [1] in 2013. It ...

  18. Appendix G: Chemicals Appendix G: Chemicals G-3

    E-Print Network [OSTI]

    Pennycook, Steve

    of chemicals, we can increase food production, cure diseases, build more efficient houses, and send people such as formaldehyde (in some insulation materials), asbestos (formerly used in insulations and ceiling tiles

  19. Appendix H: Chemicals Appendix H: Chemicals H-3

    E-Print Network [OSTI]

    Pennycook, Steve

    of chemicals, we can increase food production, cure diseases, build more efficient houses, and send people such as formaldehyde (in some insulation materials), asbestos (formerly used in insulations and ceiling tiles

  20. Appendix G. Chemicals Appendix G. Chemicals G-3

    E-Print Network [OSTI]

    Pennycook, Steve

    of chemicals, we can increase food production, cure diseases, build more efficient houses, and send people such as formaldehyde (in some insulation materials), asbestos (formerly used in insulations and ceiling tiles

  1. 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.

  2. Laser MicroChemical Shaping of Silicon

    E-Print Network [OSTI]

    Burns, Michael J.

    Laser MicroChemical Shaping of Silicon MURI Workshop Feb 28, 2005 Michael J. Burns, Ph.D. LMC Product Manager #12;FEI Copyright © 2005 Vectra LMC 9900 2 Laser Micro Chemical (LMC) ·Use of laser light to induce local chemical reactions. ·Both Laser Chemical Etching (LCE) and Laser Chemical Deposition (LCD

  3. Chemical Safety Why are you here

    E-Print Network [OSTI]

    Krovi, Venkat

    Chemical Safety in the Laboratory #12;Why are you here · Work with Chemicals · Generate Hazardous Wastes · May have to respond to Chemical Spills #12;Goals Reduce injuries and illnesses related to chemical use Protect the environment Safely manage chemical wastes Comply with local, state and federal

  4. Chemical Hydrogen Storage Center Center of Excellence

    E-Print Network [OSTI]

    Carver, Jeffrey C.

    Chemical Hydrogen Storage Center Center of Excellence for Chemical Hydrogen Storage William Tumas proprietary or confidential information #12;2 Chemical Hydrogen Storage Center Overview Project Start Date: FY Barriers Addressed #12;3 Chemical Hydrogen Storage Center Chemical Hydrogen Storage Center National

  5. Patterning by area selective oxidation

    DOE Patents [OSTI]

    Nam, Chang-Yong; Kamcev, Jovan; Black, Charles T.; Grubbs, Robert

    2015-12-29

    Technologies are described for methods for producing a pattern of a material on a substrate. The methods may comprise receiving a patterned block copolymer on a substrate. The patterned block copolymer may include a first polymer block domain and a second polymer block domain. The method may comprise exposing the patterned block copolymer to a light effective to oxidize the first polymer block domain in the patterned block copolymer. The method may comprise applying a precursor to the block copolymer. The precursor may infuse into the oxidized first polymer block domain and generate the material. The method may comprise applying a removal agent to the block copolymer. The removal agent may be effective to remove the first polymer block domain and the second polymer block domain from the substrate, and may not be effective to remove the material in the oxidized first polymer block domain.

  6. Chemical microreactor and method thereof

    DOE Patents [OSTI]

    Morse, Jeffrey D. (Martinez, CA); Jankowski, Alan (Livermore, CA)

    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.

  7. Nanostructured Solid Oxide Fuel Cell Electrodes

    SciTech Connect (OSTI)

    Sholklapper, Tal Zvi

    2007-12-15

    The ability of Solid Oxide Fuel Cells (SOFC) to directly and efficiently convert the chemical energy in hydrocarbon fuels to electricity places the technology in a unique and exciting position to play a significant role in the clean energy revolution. In order to make SOFC technology cost competitive with existing technologies, the operating temperatures have been decreased to the range where costly ceramic components may be substituted with inexpensive metal components within the cell and stack design. However, a number of issues have arisen due to this decrease in temperature: decreased electrolyte ionic conductivity, cathode reaction rate limitations, and a decrease in anode contaminant tolerance. While the decrease in electrolyte ionic conductivities has been countered by decreasing the electrolyte thickness, the electrode limitations have remained a more difficult problem. Nanostructuring SOFC electrodes addresses the major electrode issues. The infiltration method used in this dissertation to produce nanostructure SOFC electrodes creates a connected network of nanoparticles; since the method allows for the incorporation of the nanoparticles after electrode backbone formation, previously incompatible advanced electrocatalysts can be infiltrated providing electronic conductivity and electrocatalysis within well-formed electrolyte backbones. Furthermore, the method is used to significantly enhance the conventional electrode design by adding secondary electrocatalysts. Performance enhancement and improved anode contamination tolerance are demonstrated in each of the electrodes. Additionally, cell processing and the infiltration method developed in conjunction with this dissertation are reviewed.

  8. Modeling Degradation in Solid Oxide Electrolysis Cells

    SciTech Connect (OSTI)

    Manohar S. Sohal; Anil V. Virkar; Sergey N. Rashkeev; Michael V. Glazoff

    2010-09-01

    Idaho National Laboratory has an ongoing project to generate hydrogen from steam using solid oxide electrolysis cells (SOECs). To accomplish this, technical and degradation issues associated with the SOECs will need to be addressed. This report covers various approaches being pursued to model degradation issues in SOECs. An electrochemical model for degradation of SOECs is presented. The model is based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic no equilibrium. It is shown that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential, , within the electrolyte. The within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just near the oxygen electrode/electrolyte interface, leading to oxygen electrode delamination. These predictions are in accordance with the reported literature on the subject. Development of high pressures may be avoided by introducing some electronic conduction in the electrolyte. By combining equilibrium thermodynamics, no equilibrium (diffusion) modeling, and first-principles, atomic scale calculations were performed to understand the degradation mechanisms and provide practical recommendations on how to inhibit and/or completely mitigate them.

  9. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Draper, R.; George, R.A.; Shockling, L.A.

    1993-04-06

    A solid oxide fuel cell generator has a pair of spaced apart tubesheets in a housing. At least two intermediate barrier walls are between the tubesheets and define a generator chamber between two intermediate buffer chambers. An array of fuel cells have tubes with open ends engaging the tubesheets. Tubular, axially elongated electrochemical cells are supported on the tubes in the generator chamber. Fuel gas and oxidant gas are preheated in the intermediate chambers by the gases flowing on the other side of the tubes. Gas leakage around the tubes through the tubesheets is permitted. The buffer chambers reentrain the leaked fuel gas for reintroduction to the generator chamber.

  10. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Draper, Robert (Churchill Boro, PA); George, Raymond A. (Pittsburgh, PA); Shockling, Larry A. (Plum Borough, PA)

    1993-01-01

    A solid oxide fuel cell generator has a pair of spaced apart tubesheets in a housing. At least two intermediate barrier walls are between the tubesheets and define a generator chamber between two intermediate buffer chambers. An array of fuel cells have tubes with open ends engaging the tubesheets. Tubular, axially elongated electrochemical cells are supported on the tubes in the generator chamber. Fuel gas and oxidant gas are preheated in the intermediate chambers by the gases flowing on the other side of the tubes. Gas leakage around the tubes through the tubesheets is permitted. The buffer chambers reentrain the leaked fuel gas for reintroduction to the generator chamber.

  11. SOLID OXIDE PLANAR AND TUBULAR SOLID OXIDE FUEL

    E-Print Network [OSTI]

    Mease, Kenneth D.

    module Gas turbine module (compressor and turbine sub-modules) Combustor module Catalytic oxidizer module, MCFC, PEM, Gas Turbine General Model Assumptions · 1D process flow · Well-stirred within nodal volume Nerst Potential · Ideal operating voltage with respect to partial pressures of cell reactants Steam

  12. Chemical Technology Division annual technical report, 1994

    SciTech Connect (OSTI)

    NONE

    1995-06-01

    Highlights of the Chemical Technology (CMT) Division`s activities during 1994 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for fluidized-bed combustion; (3) methods for treatment of hazardous waste and mixed hazardous/radioactive waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; (5) processes for separating and recovering transuranic elements from waste streams, concentrating radioactive waste streams with advanced evaporator technology, and producing {sup 99}Mo from low-enriched uranium for medical applications; (6) electrometallurgical treatment of the many different types of spent nuclear fuel in storage at Department of Energy sites; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources and novel ceramic precursors; materials chemistry of superconducting oxides, electrified metal/solution interfaces, molecular sieve structures, and impurities in scrap copper and steel; and the geochemical processes involved in mineral/fluid interfaces and water-rock interactions occurring in active hydrothermal systems. In addition, the Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the technical programs at Argonne National Laboratory (ANL).

  13. Chemical Technology Division, Annual technical report, 1991

    SciTech Connect (OSTI)

    Not Available

    1992-03-01

    Highlights of the Chemical Technology (CMT) Division's activities during 1991 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for fluidized-bed combustion and coal-fired magnetohydrodynamics; (3) methods for treatment of hazardous and mixed hazardous/radioactive waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (IFR); (7) processes for removal of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources; chemistry of superconducting oxides and other materials of interest with technological application; interfacial processes of importance to corrosion science, catalysis, and high-temperature superconductivity; and the geochemical processes involved in water-rock interactions occurring in active hydrothermal systems. In addition, the Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the technical programs at Argonne National Laboratory (ANL).

  14. Chemical Technology Division, Annual technical report, 1991

    SciTech Connect (OSTI)

    Not Available

    1992-03-01

    Highlights of the Chemical Technology (CMT) Division`s activities during 1991 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for fluidized-bed combustion and coal-fired magnetohydrodynamics; (3) methods for treatment of hazardous and mixed hazardous/radioactive waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (IFR); (7) processes for removal of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources; chemistry of superconducting oxides and other materials of interest with technological application; interfacial processes of importance to corrosion science, catalysis, and high-temperature superconductivity; and the geochemical processes involved in water-rock interactions occurring in active hydrothermal systems. In addition, the Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the technical programs at Argonne National Laboratory (ANL).

  15. Chemical Technology Division annual technical report, 1993

    SciTech Connect (OSTI)

    Battles, J.E.; Myles, K.M.; Laidler, J.J.; Green, D.W.

    1994-04-01

    Chemical Technology (CMT) Division this period, conducted research and development in the following areas: advanced batteries and fuel cells; fluidized-bed combustion and coal-fired magnetohydrodynamics; treatment of hazardous waste and mixed hazardous/radioactive waste; reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; separating and recovering transuranic elements, concentrating radioactive waste streams with advanced evaporators, and producing {sup 99}Mo from low-enriched uranium; recovering actinide from IFR core and blanket fuel in removing fission products from recycled fuel, and disposing removal of actinides in spent fuel from commercial water-cooled nuclear reactors; and physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources and novel ceramic precursors; materials chemistry of superconducting oxides, electrified metal/solution interfaces, molecular sieve structures, thin-film diamond surfaces, effluents from wood combustion, and molten silicates; and the geochemical processes involved in water-rock interactions. The Analytical Chemistry Laboratory in CMT also provides a broad range of analytical chemistry support.

  16. Integrated system for the destruction of organics by hydrolysis and oxidation with peroxydisulfate

    DOE Patents [OSTI]

    Cooper, John F. (Oakland, CA); Balazs, G. Bryan (Livermore, CA); Hsu, Peter (Pleasanton, CA); Lewis, Patricia R. (Livermore, CA); Adamson, Martyn G. (Danville, CA)

    2000-01-01

    An integrated system for destruction of organic waste comprises a hydrolysis step at moderate temperature and pressure, followed by direct chemical oxidation using peroxydisulfate. This system can be used to quantitatively destroy volatile or water-insoluble halogenated organic solvents, contaminated soils and sludges, and the organic component of mixed waste. The hydrolysis step results in a substantially single phase of less volatile, more water soluble hydrolysis products, thus enabling the oxidation step to proceed rapidly and with minimal loss of organic substrate in the off-gas.

  17. Size Effect of Ruthenium Nanoparticles in Catalytic Carbon Monoxide Oxidation

    E-Print Network [OSTI]

    Joo, Sang Hoon

    2011-01-01

    sensitivity The catalytic oxidation of carbon monoxide (CO)stabilizer. The catalytic activity of CO oxidation overintriguing catalytic behavior for CO oxidation 5-15 ; while

  18. Biomimetic C-H Oxidation Catalysis in Aqueous Solution

    E-Print Network [OSTI]

    Djernes, Katherine Elizabeth

    2013-01-01

    Y. ; Breslow, R. "Catalytic Oxidations of Steroid Substratesapplicable catalytic methods for hydrocarbon oxidation haveof hydrocarbon oxidation catalysts 1.7 and 1.8 The catalytic

  19. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Lui, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. These NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  20. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

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

    Scofield, Megan E. [State Univ. of New York at Stony Brook, Stony Brook, NY (United States); Koenigsmann, Christopher [State Univ. of New York at Stony Brook, Stony Brook, NY (United States); Wang, Lei [State Univ. of New York at Stony Brook, Stony Brook, NY (United States); Lui, Haiqing [State Univ. of New York at Stony Brook, Stony Brook, NY (United States); Wong, Stanislaus S. [State Univ. of New York at Stony Brook, Stony Brook, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)

    2015-01-01

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. These NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  1. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

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

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication ofmore »crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.« less

  2. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  3. Fluidizable zinc titanate materials with high chemical reactivity and attrition resistance

    DOE Patents [OSTI]

    Gupta, Raghubir P. (Durham, NC); Gangwal, Santosh K. (Durham, NC); Jain, Suresh C. (Morgantown, WV)

    1993-01-01

    Highly durable and chemically reactive zinc titanate materials are prepared in a particle size range of 50 to 400 .mu.m suitable for a fluidized-bed reactor for removing reduced sulfur species in a gaseous form by granulating a mixture of fine zinc oxide and titanium oxide with inorganic and organic binders and by optional additions of small amounts of activators such as CoO and MoO.sub.3 ; and then indurating it at 800.degree. to 900.degree. C. for a time sufficient to produce attrition-resistant granules.

  4. Fluidizable zinc titanate materials with high chemical reactivity and attrition resistance

    DOE Patents [OSTI]

    Gupta, R.P.; Gangwal, S.K.; Jain, S.C.

    1993-10-19

    Highly durable and chemically reactive zinc titanate materials are prepared in a particle size range of 50 to 400 [mu]m suitable for a fluidized-bed reactor for removing reduced sulfur species in a gaseous form by granulating a mixture of fine zinc oxide and titanium oxide with inorganic and organic binders and by optional additions of small amounts of activators such as CoO and MoO[sub 3]; and then indurating it at 800 to 900 C for a time sufficient to produce attrition-resistant granules.

  5. Application of Chemically Accelerated Biotreatment to Reduce Risk in Oil-Impacted Soils

    SciTech Connect (OSTI)

    Paterek, J.R.; Bogan, W.W.; Lahner, L.M.; Trbovic, V.

    2003-03-06

    Conducted research in the following major focus areas: (1) Development of mild extraction approaches to estimate bioavailable fraction of crude oil residues in contaminated soils; (2) Application of these methods to understand decreases in toxicity and increases in sequestration of hydrocarbons over time, as well as the influence of soil properties on these processes; (3) Measurements of the abilities of various bacteria (PAH-degraders and others more representative of typical soil bacteria) to withstand oxidative treatments (i.e. Fenton's reaction) which would occur in CBT; and (4) Experiments into the biochemical/genetic inducibility of PAH degradation by compounds formed by the chemical oxidation of PAH.

  6. Chemical & Engineering News Serving the chemical, life sciences and laboratory worlds

    E-Print Network [OSTI]

    Truhlar, Donald G

    Chemical & Engineering News Serving the chemical, life sciences and laboratory worlds Science the hydroxyl oxygen and alcoholic hydrogen stabilizes the transition state. Chemical & Engineering News ISSN 0009-2347 Copyright © 2010 American Chemical Society #12;

  7. Chemical and Biological Engineering Department Code 1 Department of Chemical & Biological Engineering

    E-Print Network [OSTI]

    Dandy, David

    Chemical and Biological Engineering Department Code 1 CODE of the Department of Chemical of Chemical & Biological Engineering. For clarity of presentation, some passages are copied directly from shall offer an undergraduate chemical and biological engineering program of technological, scientific

  8. Global Optimization of Chemical Reactors and Kinetic Optimization

    E-Print Network [OSTI]

    ALHUSSEINI, ZAYNA ISHAQ

    2013-01-01

    Parkinson, 1981), catalytic oxidation (T. Boger, 2005) (G.ignition during catalytic methane oxidation in a monolithfroth reactor for catalytic wet oxidation of acetic acid."

  9. Bioengineering/Chemical Engineering Building,

    E-Print Network [OSTI]

    Straight, Aaron

    BioE/ChemE Building S-3 Parking Struct. 3 Bioengineering/Chemical Engineering Building, Under Hall Cowell Houses Schwab Residential Center Lyman Graduate Residences Sterling Quad Mirrielees Pearce

  10. Nonlinear response theory in chemical kinetics

    E-Print Network [OSTI]

    Kryvohuz, M; Mukamel, S

    2014-01-01

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

  11. Status of Chemical Freeze-Out

    E-Print Network [OSTI]

    J. Cleymans; H. Oeschler; K. Redlich; S. Wheaton

    2006-07-14

    The status of the energy dependence of the chemical freeze-out temperature and chemical potential obtained in heavy ion collisions is presented. Recent proposals for chemical freeze-out conditions are compared.

  12. Tribo-Chemical Modeling of Copper CMP

    E-Print Network [OSTI]

    Tripathi, Shantanu; Doyle, Fiona; Dornfeld, David

    2006-01-01

    TRIBO-CHEMICAL MODELING OF COPPER CMP Shantanu Tripathi 1 ,an integrated tribo-chemical model of copper CMP thatThe role of glycine in the chemical mechanical planarization

  13. CHEMICAL ENGINEERING 2014-2016 CATALOG

    E-Print Network [OSTI]

    Lightsey, Glenn

    CHEMICAL ENGINEERING 2014-2016 CATALOG (catalog valid until August 2022) Suggested Arrangement ..............................1 CHE 317, Intro to Chemical Engineering Analysis...................3 CH 353, Physical Chemistry Hours Spring Semester Semester Hours CHE 264, Chemical Engineering Process & Projects Lab........2 CHE

  14. Department of Chemical and Petroleum Engineering

    E-Print Network [OSTI]

    Department of Chemical and Petroleum Engineering 2012 "Fueling Tomorrow's Economy" Presentation ENVIRONMENTALBIOMEDICAL OILANDGAS Department of Chemical & Petroleum Engineering 2 Presentation Outline Program Details ­ Chemical Engineering Petroleum Minor Biomedical Specialization Energy and the Environment Specialization

  15. Appendix G. Chemicals Annual Site Environmental Report

    E-Print Network [OSTI]

    Pennycook, Steve

    chemicals. Through the use of chemicals, we can increase food production, cure diseases, build more for the construction of homes may contain chemicals such as formaldehyde (in some insulation materials), asbestos

  16. LABORATORY CHEMICAL WASTE DISPOSAL POSTER (Post Near Chemical Waste Storage Area)

    E-Print Network [OSTI]

    WSTPS.rtf LABORATORY CHEMICAL WASTE DISPOSAL POSTER (Post Near Chemical Waste Storage Area) Excess Chemicals and Chemical Wastes · Toxic and Flammable Chemicals - These cannot go down the drain. Call Environmental Health and Safety (EHSO) at x-2723 for collection. · Corrosive Chemicals (Acids & Bases) - When

  17. Ferroelectricity in undoped hafnium oxide

    SciTech Connect (OSTI)

    Polakowski, Patrick; Müller, Johannes

    2015-06-08

    We report the observation of ferroelectric characteristics in undoped hafnium oxide thin films in a thickness range of 4–20?nm. The undoped films were fabricated using atomic layer deposition (ALD) and embedded into titanium nitride based metal-insulator-metal (MIM) capacitors for electrical evaluation. Structural as well as electrical evidence for the appearance of a ferroelectric phase in pure hafnium oxide was collected with respect to film thickness and thermal budget applied during titanium nitride electrode formation. Using grazing incidence X-Ray diffraction (GIXRD) analysis, we observed an enhanced suppression of the monoclinic phase fraction in favor of an orthorhombic, potentially, ferroelectric phase with decreasing thickness/grain size and for a titanium nitride electrode formation below crystallization temperature. The electrical presence of ferroelectricity was confirmed using polarization measurements. A remanent polarization P{sub r} of up to 10??C?cm{sup ?2} as well as a read/write endurance of 1.6?×?10{sup 5} cycles was measured for the pure oxide. The experimental results reported here strongly support the intrinsic nature of the ferroelectric phase in hafnium oxide and expand its applicability beyond the doped systems.

  18. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Di Croce, A. Michael (Murrysville, PA); Draper, Robert (Churchill Boro, PA)

    1993-11-02

    A solid oxide fuel cell generator has a plenum containing at least two rows of spaced apart, annular, axially elongated fuel cells. An electrical conductor extending between adjacent rows of fuel cells connects the fuel cells of one row in parallel with each other and in series with the fuel cells of the adjacent row.

  19. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Di Croce, A.M.; Draper, R.

    1993-11-02

    A solid oxide fuel cell generator has a plenum containing at least two rows of spaced apart, annular, axially elongated fuel cells. An electrical conductor extending between adjacent rows of fuel cells connects the fuel cells of one row in parallel with each other and in series with the fuel cells of the adjacent row. 5 figures.

  20. Perovskite catalysts for oxidative coupling

    DOE Patents [OSTI]

    Campbell, Kenneth D. (Charleston, WV)

    1991-01-01

    Perovskites of the structure A.sub.2 B.sub.2 C.sub.3 O.sub.10 are useful as catalysts for the oxidative coupling of lower alkane to heavier hydrocarbons. A is alkali metal; B is lanthanide or lanthanum, cerium, neodymium, samarium, praseodymium, gadolinium or dysprosium; and C is titanium.

  1. Perovskite catalysts for oxidative coupling

    DOE Patents [OSTI]

    Campbell, K.D.

    1991-06-25

    Perovskites of the structure A[sub 2]B[sub 2]C[sub 3]O[sub 10] are useful as catalysts for the oxidative coupling of lower alkane to heavier hydrocarbons. A is alkali metal; B is lanthanide or lanthanum, cerium, neodymium, samarium, praseodymium, gadolinium or dysprosium; and C is titanium.

  2. Integrating catalytic coal gasifiers with solid oxide fuel cells

    SciTech Connect (OSTI)

    Siefert, N.; Shamsi, A.; Shekhawat, D.; Berry, D.

    2010-01-01

    A review was conducted for coal gasification technologies that integrate with solid oxide fuel cells (SOFC) to achieve system efficiencies near 60% while capturing and sequestering >90% of the carbon dioxide [1-2]. The overall system efficiency can reach 60% when a) the coal gasifier produces a syngas with a methane composition of roughly 25% on a dry volume basis, b) the carbon dioxide is separated from the methane-rich synthesis gas, c) the methane-rich syngas is sent to a SOFC, and d) the off-gases from the SOFC are recycled back to coal gasifier. The thermodynamics of this process will be reviewed and compared to conventional processes in order to highlight where available work (i.e. exergy) is lost in entrained-flow, high-temperature gasification, and where exergy is lost in hydrogen oxidation within the SOFC. The main advantage of steam gasification of coal to methane and carbon dioxide is that the amount of exergy consumed in the gasifier is small compared to conventional, high temperature, oxygen-blown gasifiers. However, the goal of limiting the amount of exergy destruction in the gasifier has the effect of limiting the rates of chemical reactions. Thus, one of the main advantages of steam gasification leads to one of its main problems: slow reaction kinetics. While conventional entrained-flow, high-temperature gasifiers consume a sizable portion of the available work in the coal oxidation, the consumed exergy speeds up the rates of reactions. And while the rates of steam gasification reactions can be increased through the use of catalysts, only a few catalysts can meet cost requirements because there is often significant deactivation due to chemical reactions between the inorganic species in the coal and the catalyst. Previous research into increasing the kinetics of steam gasification will be reviewed. The goal of this paper is to highlight both the challenges and advantages of integrating catalytic coal gasifiers with SOFCs.

  3. Genomic consequences of DNA oxidation by peroxynitrite

    E-Print Network [OSTI]

    Neeley, William Louis

    2006-01-01

    The radicals nitric oxide and superoxide are produced endogenously by activated macrophages and neutrophils and combine in a diffusion-limited reaction to form peroxynitrite, a powerful oxidizing and nitrating agent capable ...

  4. Complex oxides useful for thermoelectric energy conversion

    DOE Patents [OSTI]

    Majumdar, Arunava (Orinda, CA); Ramesh, Ramamoorthy (Moraga, CA); Yu, Choongho (College Station, TX); Scullin, Matthew L. (Berkeley, CA); Huijben, Mark (Enschede, NL)

    2012-07-17

    The invention provides for a thermoelectric system comprising a substrate comprising a first complex oxide, wherein the substrate is optionally embedded with a second complex oxide. The thermoelectric system can be used for thermoelectric power generation or thermoelectric cooling.

  5. Rare Iron Oxide in Ancient Chinese Pottery

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

    Rare Iron Oxide in Ancient Chinese Pottery Rare Iron Oxide in Ancient Chinese Pottery Print Friday, 26 September 2014 14:37 Jian ware (or Tenmoku) ceramic bowls, famous for their...

  6. Solid Oxide Fuel Cell Manufacturing Overview

    E-Print Network [OSTI]

    Solid Oxide Fuel Cell Manufacturing Overview Hydrogen and Fuel Cell Technologies Manufacturing R Reserved. 3 The Solid Oxide Fuel Cell Electrochemistry #12;Copyright © 2011 Versa Power Systems. All Rights

  7. Nanostructured Solid Oxide Fuel Cell Electrodes

    E-Print Network [OSTI]

    Sholklapper, Tal Zvi

    2007-01-01

    post-Doping of Solid Oxide Fuel Cell Cathodes,? P.h.D.and Technology of Ceramic Fuel Cells, p. 209, Elsevier, NewI. Birss, in Solid Oxide Fuel Cells (SOFC IX), S. C. Singhal

  8. Nanostructured Solid Oxide Fuel Cell Electrodes

    E-Print Network [OSTI]

    Sholklapper, Tal Zvi

    2007-01-01

    in Solid Oxide Fuel Cells (SOFC IX), S. C. Singhal and J.create connected nanostructured SOFC electrodes is reviewed.of Solid Oxide Fuel Cells (SOFC) to directly and efficiently

  9. Keeping Tabs on the World's Dangerous Chemicals

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  10. Nanoscale Chemical Imaging of a Working Catalyst

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

    of chemical processes. Watching Catalysts at Work Catalysts-substances that speed up chemical reactions without themselves being consumed-are essential to the production of...

  11. Chemical and Petroleum Engineering Enrollment Form for _______________________

    E-Print Network [OSTI]

    Chemical and Petroleum Engineering Enrollment Form for _______________________ Semester, Year Name _____________________________________ KUID _______________ Major: Chemical Petroleum (circle one) Degree Program: BS MS PhD Curriculum Option

  12. 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...

  13. Chemical Homogeneity in Collinder 261 and Implications for Chemical Tagging

    E-Print Network [OSTI]

    G. M. De Silva; K. C. Freeman; M. Asplund; J. Bland-Hawthorn; M. S. Bessell; R. Collet

    2006-11-28

    This paper presents abundances for 12 red giants of the old open cluster Collinder 261 based on spectra from VLT/UVES. Abundances were derived for Na, Mg, Si, Ca, Mn, Fe, Ni, Zr and Ba. We find the cluster has a solar-level metallicity of [Fe/H] = -0.03 dex. However some alpha elements were found to be enhanced. The star-to-star scatter was consistent with the expected measurement uncertainty for all elements. The observed rms scatter is as follows: Na = 0.07, Mg = 0.05, Si = 0.06, Ca = 0.05, Mn = 0.03, Fe = 0.02, Ni = 0.04, Zr = 0.12, and Ba = 0.03 dex. The intrinsic scatter was estimated to be less than 0.05 dex. Such high levels of homogeneity indicate that chemical information remains preserved in this old open cluster. We use the chemical homogeneity we have now established in Cr 261, Hyades and the HR1614 moving group to examine the uniqueness of the individual cluster abundance patterns, ie. chemical signatures. We demonstrate that the three studied clusters have unique chemical signatures, and discuss how other such signatures may be searched for in the future. Our findings support the prospect of chemically tagging disk stars to common formation sites in order to unravel the dissipative history of the Galactic disk.

  14. High quality oxide films on substrates

    DOE Patents [OSTI]

    Ruckman, Mark W. (Middle Island, NY); Strongin, Myron (Center Moriches, NY); Gao, Yong L. (Henrietta, NY)

    1994-01-01

    A method for providing an oxide film of a material on the surface of a substrate using a reactive deposition of the material onto the substrate surface in the presence of a solid or liquid layer of an oxidizing gas. The oxidizing gas is provided on the substrate surface in an amount sufficient to dissipate the latent heat of condensation occurring during deposition as well as creating a favorable oxidizing environment for the material.

  15. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, Barbara K. (Charleston, WV)

    1991-01-01

    Volatilized metal compounds retard vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

  16. High quality oxide films on substrates

    DOE Patents [OSTI]

    Ruckman, M.W.; Strongin, M.; Gao, Y.L.

    1994-02-01

    A method is described for providing an oxide film of a material on the surface of a substrate using a reactive deposition of the material onto the substrate surface in the presence of a solid or liquid layer of an oxidizing gas. The oxidizing gas is provided on the substrate surface in an amount sufficient to dissipate the latent heat of condensation occurring during deposition as well as creating a favorable oxidizing environment for the material. 4 figures.

  17. Ultra-stable Molecule-Surface Architectures at Metal Oxides: Structure, Bonding, and Electron-transfer Processes

    SciTech Connect (OSTI)

    Hamers, Robert John

    2013-12-07

    Research funded by this project focused on the development of improved strategies for functionalization of metal oxides to enhance charge?transfer processes relevant to solar energy conversion. Initial studies included Fe2O3, WO3, TiO2, SnO2, and ZnO as model oxide systems; these systems were chosen due to differences in metal oxidation state and chemical bonding types in these oxides. Later studies focused largely on SnO2 and ZnO, as these materials show particularly promising surface chemistry, have high electron mobility, and can be readily grown in both spherical nanoparticles and as elongated nanorods. New molecules were synthesized that allowed the direct chemical assembly of novel nanoparticle ?dyadic? structures in which two different oxide materials are chemically joined, leading to an interface that enhances the separation of of charge upon illumination. We demonstrated that such junctions enhance photocatalytic efficiency using model organic compounds. A separate effort focused on novel approaches to linking dye molecules to SnO2 and ZnO as a way to enhance solar conversion efficiency. A novel type of surface binding through

  18. In-Situ Transmission Electron Microscopy Probing of Native Oxide and Artificial Layers on Silicon Nanoparticles for Lithium Ion Batteries

    SciTech Connect (OSTI)

    He, Yang; Piper, Daniela M.; Gu, Meng; Travis, Jonathan J.; George, Steven M.; Lee, Se-Hee; Genc, Arda; Pullan, Lee; Liu, Jun; Mao, Scott X.; Zhang, Jiguang; Ban, Chunmei; Wang, Chong M.

    2014-11-25

    Surface modification of silicon nanoparticle via molecular layer deposition (MLD) has been recently proved to be an effective way for dramatically enhancing the cyclic performance in lithium ion batteries. However, the fundamental mechanism as how this thin layer of coating function is not known, which is even complicated by the inevitable presence of native oxide of several nanometers on the silicon nanoparticle. Using in-situ TEM, we probed in detail the structural and chemical evolution of both uncoated and coated silicon particles upon cyclic lithiation/delithation. We discovered that upon initial lithiation, the native oxide layer converts to crystalline Li2O islands, which essentially increases the impedance on the particle, resulting in ineffective lithiation/delithiation, and therefore low coulombic efficiency. In contrast, the alucone MLD coated particles show extremely fast, thorough and highly reversible lithiation behaviors, which are clarified to be associated with the mechanical flexibility and fast Li+/e- conductivity of the alucone coating. Surprisingly, the alucone MLD coating process chemically changes the silicon surface, essentially removing the native oxide layer and therefore mitigates side reaction and detrimental effects of the native oxide. This study provides a vivid picture of how the MLD coating works to enhance the coulombic efficiency and preserve capacity and clarifies the role of the native oxide on silicon nanoparticles during cyclic lithiation and delithiation. More broadly, this work also demonstrated that the effect of the subtle chemical modification of the surface during the coating process may be of equal importance as the coating layer itself.

  19. SURFACE OXIDATION OF DIESEL PARTICULATE MATTER IN PRESENCE OF O3 +NOX: NEW TD/GC/MS ANALYSIS METHOD

    E-Print Network [OSTI]

    Holmén, Britt A.

    SURFACE OXIDATION OF DIESEL PARTICULATE MATTER IN PRESENCE OF O3 +NOX: NEW TD/GC/MS ANALYSIS METHOD+08 2.6e+08 2.8e+08 3e+08 Time--> Abundance TIC: 0914S4.D INTRODUCTION Diesel exhaust is one into the atmosphere diesel particles can be transformed through physical and chemical processes resulting

  20. Springs, Rings, and Spirals of Rutile-Structured Tin Oxide Nanobelts Rusen Yang and Zhong Lin Wang*,,

    E-Print Network [OSTI]

    Wang, Zhong L.

    . The formation process has been analyzed based on the polar charge interaction model. The discovery of SnO2 rings's chemical and physical properties. Since the discovery of semiconducting oxide nanobelts1 (ZnO, SnO2, Cd the discovery of single- crystalline SnO2 springs, rings, and spirals, which have the rutile structure