National Library of Energy BETA

Sample records for m-area chemical oxidation

  1. Nanoscale Chemical Imaging of Zinc Oxide Nanowire Corrosion ...

    Office of Scientific and Technical Information (OSTI)

    Nanoscale Chemical Imaging of Zinc Oxide Nanowire Corrosion Citation Details In-Document Search Title: Nanoscale Chemical Imaging of Zinc Oxide Nanowire Corrosion Nanoscale ...

  2. Direct Chemical Oxidation. Innovative Technology Summary Report

    SciTech Connect (OSTI)

    1998-12-01

    The DOE complex has a need to demonstrate technologies that are alternatives to incineration for the destruction of organic solvents, chlorinated hydrocarbons, plastics, and organic solids. The current industry practice for the targeted waste streams is treatment by incineration. There has been increased public concern on the use of incinerators because of the potential release of products of incomplete combustion, dioxins, furans, and emission of radionuclides. Direct Chemical Oxidation is a technology for the destruction of organic solids and liquids that uses peroxydisulfate as the oxidant to destroy organics and treats residue immobilized using phosphate ceramic solidification.

  3. 2010sr29[M Area].doc

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

    Wednesday, October 20, 2010 Paivi Nettamo, SRNS, (803) 952-6938 Savannah River Site Marks Recovery Act Cleanup Milestone M Area cleanup work was finished nearly two years ahead of schedule AIKEN, S.C. (October 20) - Department of Energy, contractor and regulatory representatives gathered today to celebrate the completion of cleanup work at Savannah River Site's M Area, nearly two years ahead of schedule. This area cleanup was the first at SRS to be completed with the help of American Recovery

  4. 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.

  5. Atomic-scale chemical quantification of oxide interfaces using...

    Office of Scientific and Technical Information (OSTI)

    Atomic-scale chemical quantification of oxide interfaces using energy-dispersive X-ray ... ANTIFERROMAGNETISM; ASYMMETRY; BISMUTH COMPOUNDS; DIFFUSION; EPITAXY; ...

  6. Atomic layer engineering for chemically sharp oxide heterointerfaces...

    Office of Scientific and Technical Information (OSTI)

    Title: Atomic layer engineering for chemically sharp oxide heterointerfaces Authors: Choi, Woo Seok 1 ; Rouleau, Christopher M 1 ; Seo, Sung Seok A 1 ; Eres, Gyula 1 ; Lee, ...

  7. Chemical vapor deposition of aluminum oxide

    DOE Patents [OSTI]

    Gordon, Roy; Kramer, Keith; Liu, Xinye

    2000-01-01

    An aluminum oxide film is deposited on a heated substrate by CVD from one or more alkylaluminum alkoxide compounds having composition R.sub.n Al.sub.2 (OR').sub.6-n, wherein R and R' are alkyl groups and n is in the range of 1 to 5.

  8. Aerosol chemical vapor deposition of metal oxide films

    DOE Patents [OSTI]

    Ott, Kevin C.; Kodas, Toivo T.

    1994-01-01

    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 FIELD OF THE INVENTION The present invention relates to the field of film coating deposition techniques, and more particularly to the deposition of multicomponent metal oxide films by aerosol chemical vapor deposition. This invention is the result of a contract with the Department of Energy (Contract No. W-7405-ENG-36).

  9. Electrolytic photodissociation of chemical compounds by iron oxide photochemical diodes

    DOE Patents [OSTI]

    Somorjai, Gabor A.; Leygraf, Christofer H.

    1985-01-01

    Chemical compounds can be dissociated by contacting the same with a p/n type semi-conductor photochemical diode having visible light as its sole source of energy. The photochemical diode consists of low cost, readily available materials, specifically polycrystalline iron oxide doped with silicon in the case of the n-type semi-conductor electrode, and polycrystalline iron oxide doped with magnesium in the case of the p-type electrode. So long as the light source has an energy greater than 2.2 electron volts, no added energy source is needed to achieve dissociation.

  10. CHEMICAL SOLUTION DEPOSITION BASED OXIDE BUFFERS AND YBCO COATED CONDUCTORS

    SciTech Connect (OSTI)

    Paranthaman, Mariappan Parans

    2011-01-01

    We have reviewed briefly the growth of buffer and high temperature superconducting oxide thin films using a chemical solution deposition (CSD) method. In the Rolling-Assisted Biaxially Textured Substrates (RABiTS) process, developed at Oak Ridge National Laboratory, utilizes the thermo mechanical processing to obtain the flexible, biaxially oriented copper, nickel or nickel-alloy substrates. Buffers and Rare Earth Barium Copper Oxide (REBCO) superconductors have been deposited epitaxially on the textured nickel alloy substrates. The starting substrate serves as a template for the REBCO layer, which has substantially fewer weak links. Buffer layers play a major role in fabricating the second generation REBCO wire technology. The main purpose of the buffer layers is to provide a smooth, continuous and chemically inert surface for the growth of the REBCO film, while transferring the texture from the substrate to the superconductor layer. To achieve this, the buffer layers need to be epitaxial to the substrate, i.e. they have to nucleate and grow in the same bi-axial texture provided by the textured metal foil. The most commonly used RABiTS multi-layer architectures consist of a starting template of biaxially textured Ni-5 at.% W (Ni-W) substrate with a seed (first) layer of Yttrium Oxide (Y2O3), a barrier (second) layer of Yttria Stabilized Zirconia (YSZ), and a Cerium Oxide (CeO2) cap (third) layer. These three buffer layers are generally deposited using physical vapor deposition (PVD) techniques such as reactive sputtering. On top of the PVD template, REBCO film is then grown by a chemical solution deposition. This article reviews in detail about the list of oxide buffers and superconductor REBCO films grown epitaxially on single crystal and/or biaxially textured Ni-W substrates using a CSD method.

  11. Oxidizer gels for detoxification of chemical and biological agents

    DOE Patents [OSTI]

    Hoffman, Dennis M.; McGuire, Raymond R.

    2002-01-01

    A gel composition containing oxidizing agents and thickening or gelling agents is used to detoxify chemical and biological agents by application directly to a contaminated area. The gelling agent is a colloidal material, such as silica, alumina, or alumino-silicate clays, which forms a viscous gel that does not flow when applied to tilted or contoured surfaces. Aqueous or organic solutions of oxidizing agents can be readily gelled with less than about 30% colloidal material. Gel preparation is simple and suitable for field implementation, as the gels can be prepared at the site of decontamination and applied quickly and uniformly over an area by a sprayer. After decontamination, the residue can be washed away or vacuumed up for disposal.

  12. 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.

  13. 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.

  14. 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)

  15. Initial chemical steps in the low-temperature oxidation of25...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Initial chemical steps in the low-temperature oxidation of 25-dimethylhexane. Citation Details ... Publication Date: 2014-01-01 OSTI Identifier: 1140626 Report ...

  16. CHEMICAL SOLUTION DEPOSITION BASED OXIDE BUFFERS AND YBCO COATED...

    Office of Scientific and Technical Information (OSTI)

    to obtain the flexible, biaxially oriented copper, nickel or nickel-alloy substrates. Buffers and Rare Earth Barium Copper Oxide (REBCO) superconductors have been deposited ...

  17. Detailed chemical kinetic model for ethanol oxidation (Technical...

    Office of Scientific and Technical Information (OSTI)

    from a constant volume bomb, ignition delay data behind reflected shock waves, and ethanol oxidation product profiles from a turbulent flow reactor were used in this study. ...

  18. Operando NMR and XRD study of chemically synthesized LiCx oxidation...

    Office of Scientific and Technical Information (OSTI)

    Title: Operando NMR and XRD study of chemically synthesized LiCx oxidation in a dry room environment We test the stability of pre-lithiated graphite anodes for Li-ion batteries in ...

  19. 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.

  20. 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.

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

    DOE Patents [OSTI]

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

    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

  2. Chemical vapor deposition of fluorine-doped zinc oxide

    DOE Patents [OSTI]

    Gordon, Roy G.; Kramer, Keith; Liang, Haifan

    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.

  3. 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; Tracy, C. Edwin; Benson, David K.; Turner, John A.; Liu, Ping

    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.

  4. Controlled VLS Growth of Indium, Gallium and Tin Oxide Nanowiresvia Chemical Vapor Transport

    SciTech Connect (OSTI)

    Johnson, M.C.; Aloni, S.; McCready, D.E.; Bourret-Courchesne, E.D.

    2006-03-13

    We utilized a vapor-liquid-solid growth technique to synthesize indium oxide, gallium oxide, and tin oxide nanowires using chemical vapor transport with gold nanoparticles as the catalyst. Using identical growth parameters we were able to synthesize single crystal nanowires typically 40-100 nm diameter and more than 10-100 microns long. The products were characterized by means of XRD, SEM and HRTEM. All the wires were grown under the same growth conditions with growth rates inversely proportional to the source metal vapor pressure. Initial experiments show that different transparent oxide nanowires can be grown simultaneously on a single substrate with potential application for multi-component gas sensors.

  5. 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

  6. Chemical reaction at ferromagnet/oxide interface and its influence on anomalous Hall effect

    SciTech Connect (OSTI)

    Liu, Yi-Wei; Teng, Jiao E-mail: ghyu@mater.ustb.edu.cn; Zhang, Jing-Yan; Liu, Yang; Chen, Xi; Li, Xu-Jing; Feng, Chun; Wang, Hai-Cheng; Li, Ming-Hua; Yu, Guang-Hua E-mail: ghyu@mater.ustb.edu.cn; Wu, Zheng-Long

    2014-09-08

    Chemical reactions at the ferromagnet/oxide interface in [Pt/Fe]{sub 3}/MgO and [Pt/Fe]{sub 3}/SiO{sub 2} multilayers before and after annealing were investigated by X-ray photoelectron spectroscopy. The results show that Fe atoms at the Fe/MgO interface were completely oxidized in the as-grown state and significantly deoxidized after vacuum annealing. However, only some of the Fe atoms at the Fe/SiO{sub 2} interface were oxidized and rarely deoxidized after annealing. The anomalous Hall effect was modified by this interfacial chemical reaction. The saturation anomalous Hall resistance (R{sub xy}) was greatly increased in the [Pt/Fe]{sub 3}/MgO multilayers after annealing and was 350% higher than that in the as-deposited film, while R{sub xy} of the [Pt/Fe]{sub 3}/SiO{sub 2} multilayer only increased 10% after annealing.

  7. 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.

  8. Hydrogeologic Setting of A/M Area: Framework for Groundwater Transport. Book 1

    SciTech Connect (OSTI)

    Van Pelt, R.; Lewis, S.E.; Aadland, R.K.

    1994-03-11

    This document includes a brief summary of the regional geology within a 200--mile radius of the A/M Area, a summary of stratigraphy and hydrostratigraphic nomenclature as it applies to the A/M Area, and a summary of stratigraphy and hydrostratigraphy specific to the A/M Area. Five different stratigraphic cross sections show site-specific geology of the Tertiary section of the Upper Atlantic Coastal Plain geologic province within the A/M Area. The Cretaceous section lacks detail because the deepest wells penetrate only the uppermost part of the Upper Cretaceous sediments. Most of the wells are confined to the Tertiary section. The A/M Area is located in the northwestern corner of the Savannah River Site (SRS). The area serves as a main administrative hub for the site. Between 1958 and 1985, approximately 2,000,000 pounds of volatile organic solvents (metal degreasers, primarily trichloroethylene and tetrachloroethylene) were routed to the M Area Settling Basin. Between 1954 and 1958, effluent also was discharged to Tim`s Branch via the A014 Outfall. In the main M Area Solvent Handling/Storage Area, a significant amount of leakage occurred from drums stored during this time period. Extensive quantities of solvents were transported, via the Process Sewer Line, to the M Area Settling Basin, and leaks occurred along this line as well. A smaller source area has been identified and is centered around the Savannah River Laboratory (SRL) (now called the Savannah River Technology Center [SRTC]) Complex. All of these source areas are represented by solvent contamination in the groundwater system. (Abstract Truncated)

  9. 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.

  10. 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.

    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

  11. 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)

  12. Chemical solution deposition of ferroelectric yttrium-doped hafnium oxide films on platinum electrodes

    SciTech Connect (OSTI)

    Starschich, S.; Griesche, D.; Schneller, T.; Böttger, U.; Waser, R.

    2014-05-19

    Ferroelectric hafnium oxide films were fabricated by chemical solution deposition with a remnant polarization of >13 μC/cm{sup 2}. The samples were prepared with 5.2 mol. % yttrium-doping and the thickness varied from 18 nm to 70 nm. The hafnium oxide layer was integrated into a metal-insulator-metal capacitor using platinum electrodes. Due to the processing procedure, no thickness dependence of the ferroelectric properties was observed. To confirm the ferroelectric nature of the deposited samples, polarization, capacitance, and piezoelectric displacement measurements were performed. However, no evidence of the orthorhombic phase was found which has been proposed to be the non-centrosymmetric, ferroelectric phase in HfO{sub 2}.

  13. 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.

  14. 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.

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

    SciTech Connect (OSTI)

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

    2015-01-05

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

  16. Chemical kinetic modeling of high pressure propane oxidation and comparison to experimental results. Revision 1

    SciTech Connect (OSTI)

    Koert, D.N.; Pitz, W.J.; Bozzelli, J.W.; Cernansky, N.P.

    1996-02-01

    A pressure dependent kinetic mechanism for propane oxidation is developed and compared to experimental data from a high pressure flow reactor. Experimental conditions range from 10--15 atm, 650--800 K, and a residence time of 198 ms for propane-air mixtures at an equivalence ratio of 0.4. The experimental results clearly indicate a negative temperature coefficient (NTC) behavior. The chemistry describing this phenomena is critical in understanding automotive engine knock and cool flame oscillations. Results of the numerical model are compared to a spectrum of stable species profiles sampled from the flow reactor. Rate constants and product channels for the reaction of propyl radicals, hydroperoxy-propyl radicals and important isomers (radicals) with O{sub 2} were estimated using thermodynamic properties, with multifrequency quantum Kassel Theory for k(E) coupled with modified strong collision analysis for fall-off. Results of the chemical kinetic model show an NTC region over nearly the same temperature regime as observed in the experiments. Sensitivity analysis identified the key reaction steps that control the rate of oxidation in the NTC region. The model reasonably simulates the profiles for many of the major and minor species observed in the experiments.

  17. Simulation of uranium transport with variable temperature and oxidation potential: The computer program THCC (Thermo-Hydro-Chemical Coupling)

    SciTech Connect (OSTI)

    Carnahan, C.L.

    1986-12-01

    A simulator of reactive chemical transport has been constructed with the capabilities of treating variable temperatures and variable oxidation potentials within a single simulation. Homogeneous and heterogeneous chemical reactions are simulated at temperature-dependent equilibrium, and changes of oxidation states of multivalent elements can be simulated during transport. Chemical mass action relations for formation of complexes in the fluid phase are included explicitly within the partial differential equations of transport, and a special algorithm greatly simplifies treatment of reversible precipitation of solid phases. This approach allows direct solution of the complete set of governing equations for concentrations of all aqueous species and solids affected simultaneously by chemical and physical processes. Results of example simulations of transport, along a temperature gradient, of uranium solution species under conditions of varying pH and oxidation potential and with reversible precipitation of uraninite and coffinite are presented. The examples illustrate how inclusion of variable temperature and oxidation potential in numerical simulators can enhance understanding of the chemical mechanisms affecting migration of multivalent waste elements.

  18. Chemical kinetic modeling of high pressure propane oxidation and comparison to experimental results

    SciTech Connect (OSTI)

    Koert, D.N.; Pitz, W.J.; Bozzelli, J.W.; Cernansky, N.P.

    1995-11-08

    A pressure dependent kinetic mechanism for propane oxidation is developed and compared to experimental data from a high pressure flow reactor. The experiment conditions range from 10--15 atm, 650--800 K, and were performed at a residence time of 200 {micro}s for propane-air mixtures at an equivalence ratio of 0.4. The experimental results include data on negative temperature coefficient (NTC) behavior, where the chemistry describing this phenomena is considered critical in understanding automotive engine knock and cool flame oscillations. Results of the numerical model are compared to a spectrum of stable species profiles sampled from the flow reactor. Rate constants and product channels for the reaction of propyl radicals, hydroperoxy-propyl radicals and important isomers with O{sub 2} were estimated using thermodynamic properties, with multifrequency quantum Kassel Theory for k(E) coupled with modified strong collision analysis for fall-off. Results of the chemical kinetic model show an NTC region over nearly the same temperature regime as observed in the experiments. The model simulates properly the production of many of the major and minor species observed in the experiments. Numerical simulations show many of the key reactions involving propylperoxy radicals are in partial equilibrium at 10--15 atm. This indicates that their relative concentrations are controlled by a combination of thermochemistry and rate of minor reaction channels (bleed reactions) rather than primary reaction rates. This suggests that thermodynamic parameters of the oxygenated species, which govern equilibrium concentrations, are important. The modeling results show propyl radical and hydroperoxy-propyl radicals reaction with O{sub 2} proceeds, primarily, through thermalized adducts, not chemically activated channels.

  19. New chemical models of enzymatic oxidation. II. Oxidation of alcohols to acids, catalyzed by Cu(II) complexes

    SciTech Connect (OSTI)

    Sakharov, A.M.; Skibida, I.P.

    1988-07-01

    It was established that complex compounds of Cu(II) catalyze the oxidation of primary alcohols to acids in the presence of bases; in aqueous media n-propanol is oxidized primarily to formic acid; in anhydrous media n-propanol and benzyl alcohol are capable of being oxidized to propionic and benzoic acids, respectively. It was shown that acids are the primary reaction products, and they are formed as a result of the attack of anions coordinated on Cu(II) sites by molecular oxygen.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

    SciTech Connect (OSTI)

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; Adzic, Radoslav R.

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs). Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.

  5. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

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

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; et al

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs).more » Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.« less

  6. Comparative electron paramagnetic resonance investigation of reduced graphene oxide and carbon nanotubes with different chemical functionalities for quantum dot attachment

    SciTech Connect (OSTI)

    Pham, Chuyen V.; Krueger, Michael E-mail: emre.erdem@physchem.uni-freiburg.de; Eck, Michael; Weber, Stefan; Erdem, Emre E-mail: emre.erdem@physchem.uni-freiburg.de

    2014-03-31

    Electron paramagnetic resonance (EPR) spectroscopy has been applied to different chemically treated reduced graphene oxide (rGO) and multiwalled carbon nanotubes (CNTs). A narrow EPR signal is visible at g?=?2.0029 in both GO and CNT-Oxide from carbon-related dangling bonds. EPR signals became broader and of lower intensity after oxygen-containing functionalities were reduced and partially transformed into thiol groups to obtain thiol-functionalized reduced GO (TrGO) and thiol-functionalized CNT (CNT-SH), respectively. Additionally, EPR investigation of CdSe quantum dot-TrGO hybrid material reveals complete quenching of the TrGO EPR signal due to direct chemical attachment and electronic coupling. Our work confirms that EPR is a suitable tool to detect spin density changes in different functionalized nanocarbon materials and can contribute to improved understanding of electronic coupling effects in nanocarbon-nanoparticle hybrid nano-composites promising for various electronic and optoelectronic applications.

  7. 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

  8. Synthesis of reduced graphene oxide (rGO) via chemical reduction

    SciTech Connect (OSTI)

    Thakur, Alpana Rangra, V. S.; Kumar, Sunil

    2015-05-15

    Natural flake Graphite was used as the starting material for the graphene synthesis. In the first step flake graphite was treated with oxidizing agents under vigorous conditions to obtain graphite oxide. Layered graphite oxide decorated with oxygen has large inter-layer distance leading easy exfoliation into single sheets by ultrasonication giving graphene oxide. In the last step exfoliated graphene oxide sheets were reduced slowly with the help of reducing agent to obtain fine powder which is labeled as reduced graphene oxide (rGO). This rGO was further characterized by X-Ray Diffraction (XRD), Scanning Tunneling Microscopy (SEM) and Fourier Transform Infrared Spectroscopy (FTIR), Raman Spectroscopy techniques. XRD pattern shows peaks corresponding to (002) graphitic lattice planes indicating the formation of network of sp{sup 2} like carbon structure. SEM images show the ultrathin, wrinkled, paper-like morphology of graphene sheets. IR study shows that the graphite has been oxidized to graphite oxide with the presence of various absorption bands confirming the presence of oxidizing groups. The FTIR spectrum of rGO shows no sharp peaks confirming the efficient reduction of rGO. The Raman spectrum shows disorder in the graphene sheets.

  9. Final Report: Fiscal Year 1997 demonstration of omnivorous non-thermal mixed waste treatment: Direct chemical oxidation of organic solids and liquids using peroxydisulfate

    SciTech Connect (OSTI)

    Cooper, J.F.

    1998-01-01

    Direct Chemical Oxidation (DCO) is a non-thermal, ambient pressure, aqueous-based technology for the oxidative destruction of the organic components of hazardous or mixed waste streams. The process has been developed for applications in waste treatment, chemical demilitarization and decontamination at LLNL since 1992. The process uses solutions of the peroxydisulfate ion (typically sodium or ammonium salts) to completely mineralize the organics to carbon dioxide and water. The expended oxidant may be electrolytically regenerated to minimize secondary waste. The paper briefly describes: free radical and secondary oxidant formation; electrochemical regeneration; offgas stream; and throughput.

  10. Savannah River Site A/M Area Southern Sector Characterization Cone Penetrometer Report

    SciTech Connect (OSTI)

    Raabe, B.A.

    1993-05-01

    The Savannah River Site (SRS) is located in the Atlantic Coastal Plaingeologic province. This area is characterized by low relief, predominantly unconsolidated sediments of Cretaceous though Tertiary age. A multiple aquifer system underlies the A/M Area and affects the definition and distribution of a contaminant plume. The water table and uppermost confined aquifer (Steed Pond Aquifer) are contaminated with elevated concentrations of trichloroethylene(TCE) and tetrachloroethylene (PCE) and their associated compounds. The deeper aquifers in this area have less widely spread chlorinated hydrocarbon contamination.Cone penetrometer testing was selected as the method of investigation because it is minimally invasive, offers advanced technological capabilities in gathering lithologic data, and offers groundwater sampling capabilities. CPT testing utilizes a hydraulic push tool system. The probe collects real-time data that is processed by computer into soil/lithology classifications. The system can also be used to collect sediment and soil vapor samples although these features were not utilized during this project. Advantages of the CPT system include a small borehole diameter which minimizes cross-contamination of lithologic units, virtual elimination of drill cuttings and fluids that require disposal, collection of various types of undisturbed sediment and water samples and plotting of hydrostratigraphic and lithologic data while in the field.

  11. 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

    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.'

  12. 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.

  13. 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

  14. Oxide

    SciTech Connect (OSTI)

    2014-07-15

    Oxide is a modular framework for feature extraction and analysis of executable files. Oxide is useful in a variety of reverse engineering and categorization tasks relating to executable content.

  15. Copper substrate as a catalyst for the oxidation of chemical vapor deposition-grown graphene

    SciTech Connect (OSTI)

    Li, Zhiting; Zhou, Feng; Parobek, David; Shenoy, Ganesh J.; Muldoon, Patrick; Liu, Haitao

    2015-04-15

    We report the catalytic effect of copper substrate on graphene–oxygen reaction at high temperature. Previous studies showed that graphene grown on copper are mostly defect-free with strong oxidation resistance. We found that a freshly prepared copper-supported graphene sample can be completely oxidized in trace amount of oxygen (<3 ppm) at 600 °C within 2 h. Both X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) suggest that upon ambient air exposure, oxygen molecules diffuse into the space between graphene and copper, resulting in the formation of copper oxide which acts as catalytic sites for the graphene-oxygen reaction. This result has important implications for the characterization, processing, and storage of copper-supported graphene samples. - Graphical abstract: The copper substrate enhances the thermel oxidation of single-layer graphene. - Highlights: • A copper-supported graphene can be oxidized in Ar (O{sub 2}<3 ppm, 600 °C, 2 h). • O{sub 2} intercalates between graphene and copper upon exposure to air. • The copper foil should not be considered as an inert substrate.

  16. 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.

  17. Iron oxidation kinetics for H-2 and CO production via chemical looping

    SciTech Connect (OSTI)

    Stehle, RC; Bobek, MM; Hahn, DW

    2015-01-30

    Solar driven production of fuels by means of an intermediate reactive metal for species splitting has provided a practical and potentially efficient pathway for disassociating molecules at significantly lower thermal energies. The fuels of interest are of or derive from the separation of oxygen from H2O and CO2 to form hydrogen and carbon monoxide, respectively. The following study focuses on iron oxidation through water and CO2 splitting to explore the fundamental reaction kinetics and kinetic rates that are relevant to these processes. In order to properly characterize the reactive metal potential and to optimize a scaled-up solar reactor system, a monolith-based laboratory reactor was implemented to investigate reaction temperatures over a range from 990 to 1400 K. The presence of a single, solid monolith as a reacting surface allowed for a limitation in mass transport effects in order to monitor kinetically driven reaction steps. The formation of oxide layers on the iron monoliths followed Cabrera-Mott models for oxidation of metals with kinetic rates being measured using real-time mass spectrometry to calculate kinetic constants and estimate oxide layer thicknesses. Activation energies of 47.3 kJ/mol and 32.8 kJ/mol were found for water-splitting and CO2 splitting, respectively, and the conclusions of the independent oxidation reactions where applied to experimental results for syngas (H-2-CO) production to explore ideal process characteristics. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

  18. 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.

  19. 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.

  20. Final Technical Report - High-Performance, Oxide-Dispersion-Strengthened Tubes for Production of Ethylene adn Other Industrial Chemicals

    SciTech Connect (OSTI)

    McKimpson, Marvin G.

    2006-04-06

    This project was undertaken by Michigan Technological University and Special Metals Corporation to develop creep-resistant, coking-resistant oxide-dispersion-strengthened (ODS) tubes for use in industrial-scale ethylene pyrolysis and steam methane reforming operations. Ethylene pyrolysis tubes are exposed to some of the most severe service conditions for metallic materials found anywhere in the chemical process industries, including elevated temperatures, oxidizing atmospheres and high carbon potentials. During service, hard deposits of carbon (coke) build up on the inner wall of the tube, reducing heat transfer and restricting the flow of the hydrocarbon feedstocks. About every 20 to 60 days, the reactor must be taken off-line and decoked by burning out the accumulated carbon. This decoking costs on the order of $9 million per year per ethylene plant, accelerates tube degradation, and requires that tubes be replaced about every 5 years. The technology developed under this program seeks to reduce the energy and economic cost of coking by creating novel bimetallic tubes offering a combination of improved coking resistance, creep resistance and fabricability not available in current single-alloy tubes. The inner core of this tube consists of Incoloy(R) MA956, a commercial ferritic Fe-Cr-Al alloy offering a 50% reduction in coke buildup combined with improved carburization resistance. The outer sheath consists of a new material - oxide dispersion strengthened (ODS) Alloy 803(R) developed under the program. This new alloy retains the good fireside environmental resistance of Alloy 803, a commercial wrought alloy currently used for ethylene production, and provides an austenitic casing to alleviate the inherently-limited fabricability of the ferritic Incoloy(R) MA956 core. To provide mechanical compatibility between the two alloys and maximize creep resistance of the bimetallic tube, both the inner Incoloy(R) MA956 and the outer ODS Alloy 803 are oxide dispersion

  1. 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.

  2. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

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

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-01-21

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. Furthermore, these results could serve asmore » guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.« less

  3. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-03-01

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. These results could serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.

  4. EVALUATION OF PLUTONIUM OXIDE DESTRUCTIVE CHEMICAL ANALYSES FOR VALIDITY OF ORIGINAL 3013 CONTAINER BINNING

    SciTech Connect (OSTI)

    Mcclard, J.; Kessinger, G.

    2010-02-01

    The surveillance program for 3013 containers is based, in part, on the separation of containers into various bins related to potential container failure mechanisms. The containers are assigned to bins based on moisture content and pre-storage estimates of content chemistry. While moisture content is measured during the packaging of each container, chemistry estimates are made by using a combination of process knowledge, packaging data and prompt gamma analyses to establish the moisture and chloride/fluoride content of the materials. Packages with high moisture and chloride/fluoride contents receive more detailed surveillances than packages with less chloride/fluoride and/or moisture. Moisture verification measurements and chemical analyses performed during the surveillance program provided an opportunity to validate the binning process. Validation results demonstrated that the binning effort was generally successful in placing the containers in the appropriate bin for surveillance and analysis.

  5. 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.

  6. 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.

  7. Chemical interactions between interconnect and electrode materials during sintering in solid oxide fuel cells

    SciTech Connect (OSTI)

    Armstrong, T.R.; Chick, L.A.; Bates, J.L.

    1993-05-01

    Chemical interactions and interdiffusion between the interconnect, (LaCa)CrO{sub 3} and (YCa)CrO{sub 3} and the anode, Ni{center_dot}ZrO{sub 2}, and cathode, (LaSr)MnO{sub 3} and (YCa)MnO{sub 3}, were evaluated from 1300 to 1500C. Reaction of (LaCa)CrO{sub 3} and Ni{center_dot}ZrO{sub 2} cermet resulted in the formation of NiCr{sub 2}O{sub 4} spinel, while reaction of (YCa)CrO{sub 3} and Ni{center_dot}ZrO{sub 2} resulted in the formation of both NiCr{sub 2}O{sub 4} and CaZrO{sub 3}, at all temperatures. Interactions between the chromites and manganites resulted in the formation of a solid solution. Dense reaction layers were observed near the interface of Ni{center_dot}ZrO{sub 2}/(LaCa)CrO{sub 3} and Ni{center_dot}ZrO{sub 2}/(YCa)CrO{sub 3} samples. These dense regions were enriched in calcium and chromium, resulting from liquid migration from the chromite to the anode. Nearly ideal interfaces were observed between (LaSr)MnO{sub 3} and (LaCa)CrO{sub 3}. Interactions between (YCa)CrO{sub 3} and (YCa)MnO{sub 3} resulted in the formation of a CaCrO{sub 4} rich layer along the interface.

  8. 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 12751935 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 0.81.6, 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.

  9. 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 510 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.

  10. Chemical microsensors

    DOE Patents [OSTI]

    Li, DeQuan; Swanson, Basil I.

    1995-01-01

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

  11. Atomic-Resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co and Mn with Li in Layered Lithium Transition-Metal Oxide Cathode Materials

    SciTech Connect (OSTI)

    Yan, Pengfei; Zheng, Jianming; Lv, Dongping; Wei, Yi; Zheng, Jiaxin; Wang, Zhiguo; Kuppan, Saravanan; Yu, Jianguo; Luo, Langli; Edwards, Danny J.; Olszta, Matthew J.; Amine, Khalil; Liu, Jun; Xiao, Jie; Pan, Feng; Chen, Guoying; Zhang, Jiguang; Wang, Chong M.

    2015-07-06

    Capacity and voltage fading of layer structured cathode based on lithium transition metal oxide is closely related to the lattice position and migration behavior of the transition metal ions. However, it is scarcely clear about the behavior of each of these transition metal ions. We report direct atomic resolution visualization of interatomic layer mixing of transition metal (Ni, Co, Mn) and lithium ions in layer structured oxide cathodes for lithium ion batteries. Using chemical imaging with aberration corrected scanning transmission electron microscope (STEM) and DFT calculations, we discovered that in the layered cathodes, Mn and Co tend to reside almost exclusively at the lattice site of transition metal (TM) layer in the structure or little interlayer mixing with Li. In contrast, Ni shows high degree of interlayer mixing with Li. The fraction of Ni ions reside in the Li layer followed a near linear dependence on total Ni concentration before reaching saturation. The observed distinctively different behavior of Ni with respect to Co and Mn provides new insights on both capacity and voltage fade in this class of cathode materials based on lithium and TM oxides, therefore providing scientific basis for selective tailoring of oxide cathode materials for enhanced performance.

  12. M-Area and Metallurgical Laboratory Hazardous Waste Management Facilities Groundwate Monitoring and Corrective-Action Report, First and Second Quarters 1998, Volumes I, II, & III

    SciTech Connect (OSTI)

    Chase, J.

    1998-10-30

    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 first and second quarters 1998. This program is required by South Carolina Hazardous Waste Permit SC1-890-008-989 and Section 264.100(g) of the South Carolina Hazardous Waste Management Regulations. Report requirements are described in the 1995 RCRA Renewal Permit, effective October 5, 1995, Section IIIB.H.11.b for the M-Area HWMF and Section IIIG.H.11.b for the Met Lab HWMF.

  13. Application of high-resolution time-of-flight chemical ionization mass spectrometry measurements to estimate volatility distributions of α-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 α-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

  14. 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.; Br, 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.

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

    SciTech Connect (OSTI)

    Freislebem, Mrcia; Menezes, Caren M.; Cemin, Felipe; Costi, Fernanda B.; Ferreira, Patrcia A.; Aguzzoli, Csar; 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.

  16. 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

    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.

  17. Chemistry of α-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 α-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

  18. Baseline Mapping Study of the Steed Pond Aquifer and Crouch Branch Confining Unit Beneath A/M Area, Savannah River Site, Aiken, South Carolina

    SciTech Connect (OSTI)

    JACKSON, DENNISG.

    1998-09-01

    This report presents the results of a baseline mapping project conducted for the Environmental Restoration Department at Savannah River Site. The purpose of this report is to map the distribution of mud (clay and silt-sized material) within each hydrogeologic unit from the surface down to the top of the Crouch Branch aquifer beneath the A/M Area. The distribution of mud layers and variations in the percentage of clay and silt within the strata is extremely important in order to fully characterize the extent of DNAPL beneath the A/M Area and determine the geometry of the contaminant plumes emanating from them. Precision mapping of these layers can aid in locating areas where contamination is most likely to have migrated into the saturated zone. In addition, this information can be used to refine the current remediation systems or assist in designing new remedial systems.

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

    SciTech Connect (OSTI)

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

    2015-04-07

    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.

  20. 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.

    2015-04-07

    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

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

    SciTech Connect (OSTI)

    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 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.

  2. 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.

  3. Passivation of Zn{sub 3}P{sub 2} substrates by aqueous chemical etching and air oxidation

    SciTech Connect (OSTI)

    Kimball, Gregory M.; Bosco, Jeffrey P.; Mueller, Astrid M.; Tajdar, Syed F.; Brunschwig, Bruce S.; Atwater, Harry A.; Lewis, Nathan S.

    2012-11-15

    Surface recombination velocities measured by time-resolved photoluminescence and compositions of Zn{sub 3}P{sub 2} surfaces measured by x-ray photoelectron spectroscopy (XPS) have been correlated for a series of wet chemical etches of Zn{sub 3}P{sub 2} substrates. Zn{sub 3}P{sub 2} substrates that were etched with Br{sub 2} in methanol exhibited surface recombination velocity values of 2.8 Multiplication-Sign 10{sup 4} cm s{sup -1}, whereas substrates that were further treated by aqueous HF-H{sub 2}O{sub 2} exhibited surface recombination velocity values of 1.0 Multiplication-Sign 10{sup 4} cm s{sup -1}. Zn{sub 3}P{sub 2} substrates that were etched with Br{sub 2} in methanol and exposed to air for 1 week exhibited surface recombination velocity values of 1.8 Multiplication-Sign 10{sup 3} cm s{sup -1}, as well as improved ideality in metal/insulator/semiconductor devices.

  4. 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 58 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 2.12.3 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 surfacevolume ratio, and high crystallinity SnO{sub 2} films.

  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. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  7. 2. Chemical Kinetics

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

    1 Lecture) Chung K. Law Robert H. Goddard Professor Princeton University Princeton-CEFRC-Combustion Institute Summer School on Combustion June 20-24, 2016 1 Day 1: Chemical Thermodynamics and Kinetics 1. Chemical Thermodynamics * Chemical equilibrium * Energy conservation & adiabatic flame temp., T ad 2. Chemical Kinetics * Reaction rates and approximations * Theories of reaction rates * Straight and branched chain reactions 3. Oxidation Mechanisms of Fuels * Hydrogen, CO, hydrocarbons 2 1.

  8. Role of chemical composition in the enhanced catalytic activity of Pt-based alloyed ultrathin nanowires for the hydrogen oxidation reaction under alkaline conditions

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

    Megan E. Scofield; Wong, Stanislaus S.; Zhou, Yuchen; Yue, Shiyu; Wang, Lei; Su, Dong; Tong, Xiao; Vukmirovic, Miomir B.; Adzic, Radoslav R.

    2016-05-19

    With the increased interest in the development of hydrogen fuel cells as a plausible alternative to internal combustion engines, recent work has focused on creating alkaline fuel cells (AFC), which employ an alkaline environment. Working in alkaline as opposed to acidic media yields a number of tangible benefits, including (i) the ability to use cheaper and plentiful precious-metal-free catalysts, due to their increased stability, (ii) a reduction in the amount of degradation and corrosion of Pt-based catalysts, and (iii) a longer operational lifetime for the overall fuel cell configuration. However, in the absence of Pt, no catalyst has achieved activitiesmore » similar to those of Pt. Herein, we have synthesized a number of crystalline ultrathin PtM alloy nanowires (NWs) (M = Fe, Co, Ru, Cu, Au) in order to replace a portion of the costly Pt metal without compromising on activity while simultaneously adding in metals known to exhibit favorable synergistic ligand and strain effects with respect to the host lattice. In fact, our experiments confirm theoretical insights about a clear and correlative dependence between measured activity and chemical composition. We have conclusively demonstrated that our as-synthesized alloy NW catalysts yield improved hydrogen oxidation reaction (HOR) activities as compared with a commercial Pt standard as well as with our as-synthesized Pt NWs. The Pt7Ru3 NW system, in particular, quantitatively achieved an exchange current density of 0.493 mA/cm2, which is higher than the corresponding data for Pt NWs alone. In addition, the HOR activities follow the same expected trend as their calculated hydrogen binding energy (HBE) values, thereby confirming the critical importance and correlation of HBE with the observed activities.« less

  9. Chemical Doping Enhances Electronic Transport in Networks of...

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

    June 12, 2015, Research Highlights Chemical Doping Enhances Electronic Transport in ... Here, it is shown that upon chemical oxidation, hexabenzocoronenes (HBCs) enhance charge ...

  10. Chemical Engineering

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

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

  11. Mixed Acid Oxidation

    SciTech Connect (OSTI)

    Pierce, R.A.

    1999-10-26

    Several non-thermal processes have been developed to destroy organic waste compounds using chemicals with high oxidation potentials. These efforts have focused on developing technologies that work at low temperatures, relative to incineration, to overcome many of the regulatory issues associated with obtaining permits for waste incinerators. One such technique with great flexibility is mixed acid oxidation. Mixed acid oxidation, developed at the Savannah River Site, uses a mixture of an oxidant (nitric acid) and a carrier acid (phosphoric acid). The carrier acid acts as a non-volatile holding medium for the somewhat volatile oxidant. The combination of acids allows appreciable amounts of the concentrated oxidant to remain in the carrier acid well above the oxidant''s normal boiling point.

  12. 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.

  13. 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.

  14. 1Q/2Q00 M-Area and Metallurgical Laboratory Hazardous Waste Management Facilities Groundwater Monitoring and Corrective-Action Report - First and Second Quarters 2000 - Volumes I, II, and II

    SciTech Connect (OSTI)

    Chase, J.

    2000-10-24

    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 first and second quarters of 2000.

  15. 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

  16. 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)

  17. 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)

  18. 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.

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

    SciTech Connect (OSTI)

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

    2015-01-13

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

  20. 3Q/4Q00 Annual M-Area and Metallurgical Laboratory Hazardous Waste Management Facilities Groundwater Monitoring and Corrective-Action Report - Third and Fourth Quarters 2000 - Volumes I, II, and II

    SciTech Connect (OSTI)

    Cole, C.M. Sr.

    2001-04-17

    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 2000. This program is required by South Carolina Resource Conservation and Recovery Act (RCRA) Hazardous Waste Permit SC1890008989 and Section 264.100(g) of the South Carolina Hazardous Waste Management Regulations.

  1. 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.

  2. ARM - Measurement - Inorganic chemical composition

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

    govMeasurementsInorganic chemical composition ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Inorganic chemical composition The chemical composition of an aerosol, with the exception of those with hydrocarbons, and usually including carbides, oxides of carbon, metallic carbonates, carbon sulfur compounds, and carbon nitrogen compounds. Categories Aerosols Instruments The above measurement is

  3. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides. (auth)

  4. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides.

  5. Double-sided reel-to-reel metal-organic chemical vapor deposition...

    Office of Scientific and Technical Information (OSTI)

    Subject: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BARIUM OXIDES; CHEMICAL VAPOR DEPOSITION; COPPER OXIDES; CRITICAL CURRENT; HIGH-TC SUPERCONDUCTORS; ...

  6. Chemical Science

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

    Chemical Science Chemical Science National security depends on science and technology. The United States relies on Los Alamos National Laboratory for the best of both. No place on Earth pursues a broader array of world-class scientific endeavors. Actinide Chemistry» Modeling and Simulation in the Chemical Sciences» Synthetic and Mechanistic Chemistry» Chemistry for Measurement and Detection Science» Chemical Researcher Jeff Pietryga shows two vials of different-size nanocrystals, each

  7. Chemical Recycling | Y-12 National Security Complex

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

    Chemical Recycling Chemical Recycling

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

    DOE Patents [OSTI]

    Yang, Xiaoguang; Swanson, Basil I.

    2001-11-13

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

  9. Chemically homogeneous and thermally reversible oxidation of...

    Office of Scientific and Technical Information (OSTI)

    Atomic-resolution characterization with scanning tunnelling microscopy is quantitatively ... as low as 260 8C using scanning tunnelling microscopy and spectroscopic techniques. ...

  10. Chemical preconcentrator

    DOE Patents [OSTI]

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

    2001-01-01

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

  11. 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.

  12. Chemical sensors

    DOE Patents [OSTI]

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

    1991-01-01

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

  13. 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.

  14. In situ observations and tuning of physical and chemical phenomena...

    Office of Scientific and Technical Information (OSTI)

    on the surfaces of strongly correlated oxides Citation Details In-Document Search Title: In situ observations and tuning of physical and chemical phenomena on the surfaces of ...

  15. 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.

  16. Chemical sensors

    DOE Patents [OSTI]

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

    1992-01-01

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

  17. Chemical Sciences

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

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

  18. Chemical Dynamics

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

    Chemical 'Sponges' Could Make Chemo Safer Chemical 'Sponges' Could Make Chemo Safer July 8, 2016 - 4:22pm Addthis A sample of a polymer-based membrane material created at Berkeley Lab. It’s designed to soak up cancer drugs and limit their side effects. | Photo by Roy Kaltschmidt, Berkeley Lab. A sample of a polymer-based membrane material created at Berkeley Lab. It's designed to soak up cancer drugs and limit their side effects. | Photo by Roy Kaltschmidt, Berkeley Lab. Glenn Roberts Jr.

  19. Enzymatic Oxidation of Methane

    SciTech Connect (OSTI)

    Sirajuddin, S; Rosenzweig, AC

    2015-04-14

    Methane monooxygenases (MMOs) are enzymes that catalyze the oxidation of methane to methanol in methanotrophic bacteria. As potential targets for new gas-to-liquid methane bioconversion processes, MMOs have attracted intense attention in recent years. There are two distinct types of MMO, a soluble, cytoplasmic MMO (sMMO) and a membrane-bound, particulate MMO (pMMO). Both oxidize methane at metal centers within a complex, multisubunit scaffold, but the structures, active sites, and chemical mechanisms are completely different. This Current Topic review article focuses on the overall architectures, active site structures, substrate reactivities, proteinprotein interactions, and chemical mechanisms of both MMOs, with an emphasis on fundamental aspects. In addition, recent advances, including new details of interactions between the sMMO components, characterization of sMMO intermediates, and progress toward understanding the pMMO metal centers are highlighted. The work summarized here provides a guide for those interested in exploiting MMOs for biotechnological applications.

  20. 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.

  1. Chemical Doping Enhances Electronic Transport in Networks of

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

    Hexabenzocoronenes Assembles in Electrolyte - Joint Center for Energy Storage Research June 12, 2015, Research Highlights Chemical Doping Enhances Electronic Transport in Networks of Hexabenzocoronenes Assembles in Electrolyte (Top) HBCs assemble into nanowires and are chemically oxidized (Bottom Left) Changing UV-vis spectra with temperature indicates assembly (Bottom Right) Increased shuttling current with increased oxidation Scientific Achievement Organic semiconductors provide

  2. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  3. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  4. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  5. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  6. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  7. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  8. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  9. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  10. Nanoscale Chemical Imaging of a Working Catalyst

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

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

  11. Nanoscale Chemical Imaging of a Working Catalyst

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

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

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

    DOE Patents [OSTI]

    Peters, William A.; Howard, Jack B.; Modestino, Anthony J.; Vogel, Fredreric; Steffin, Carsten R.

    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.

  13. Sulfur-Graphene Oxide Nanocomposite Cathodes for Lithium/Sulfur...

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

    They are produced using simple chemical deposition techniques and a relatively low-temperature (155 C) thermal treatment process. Graphene oxide transforms insulating graphene ...

  14. Decontamination of metals using chemical etching

    DOE Patents [OSTI]

    Lerch, Ronald E.; Partridge, Jerry A.

    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.

  15. 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.

  16. AP-XPS Measures MIEC Oxides in Action

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

    AP-XPS Measures MIEC Oxides in Action AP-XPS Measures MIEC Oxides in Action Print Wednesday, 25 May 2011 00:00 Oxide materials with mixed ionic-electronic conductivity (MIEC) can conduct both electrons and oxygen ions. MIEC oxides have broad applications, including use in solid-oxide fuel cells, high-temperature electrolysis for synthetic fuel production, and oxygen-separating membranes for chemical processes or NOx-free combustion; however, their surface activity under reaction conditions has

  17. 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.

  18. 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....

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

    SciTech Connect (OSTI)

    Venkanna, M. Chakraborty, Amit K.

    2014-04-24

    Interest in graphene on its excellent mechanical, electrical, thermal and optical properties, its 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.

  20. Use of chemical mechanical polishing in micromachining

    DOE Patents [OSTI]

    Nasby, Robert D.; Hetherington, Dale L.; Sniegowski, Jeffry J.; McWhorter, Paul J.; Apblett, Christopher A.

    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.

  1. 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.

  2. Two Dimensional Polymer That Generates Nitric Oxide.

    DOE Patents [OSTI]

    McDonald, William F.; Koren, Amy B.

    2005-10-04

    A polymeric composition that generates nitric oxide and a process for rendering the surface of a substrate nonthrombogenic by applying a coating of the polymeric composition to the substrate are disclosed. The composition comprises: (1) a crosslinked chemical combination of (i) a polymer having amino group-containing side chains along a backbone forming the polymer, and (ii) a crosslinking agent containing functional groups capable of reacting with the amino groups; and (2) a plurality of nitric oxide generating functional groups associated with the crosslinked chemical combination. Once exposed to a physiological environment, the coating generates nitric oxide thereby inhibiting platelet aggregation. In one embodiment, the nitric oxide generating functional groups are provided by a nitrated compound (e.g., nitrocellulose) imbedded in the polymeric composition. In another embodiment, the nitric oxide generating functional groups comprise N2O2- groups covalently bonded to amino groups on the polymer.

  3. Oxidation catalyst

    DOE Patents [OSTI]

    Ceyer, Sylvia T.; Lahr, David L.

    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.

  4. 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.

  5. Aromatic-radical oxidation chemistry

    SciTech Connect (OSTI)

    Glassman, I.; Brezinsky, K.

    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.

  6. AP-XPS Measures MIEC Oxides in Action

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

    AP-XPS Measures MIEC Oxides in Action Print Oxide materials with mixed ionic-electronic conductivity (MIEC) can conduct both electrons and oxygen ions. MIEC oxides have broad applications, including use in solid-oxide fuel cells, high-temperature electrolysis for synthetic fuel production, and oxygen-separating membranes for chemical processes or NOx-free combustion; however, their surface activity under reaction conditions has been difficult, if not impossible, to ascertain, until recently. A

  7. AP-XPS Measures MIEC Oxides in Action

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

    AP-XPS Measures MIEC Oxides in Action Print Oxide materials with mixed ionic-electronic conductivity (MIEC) can conduct both electrons and oxygen ions. MIEC oxides have broad applications, including use in solid-oxide fuel cells, high-temperature electrolysis for synthetic fuel production, and oxygen-separating membranes for chemical processes or NOx-free combustion; however, their surface activity under reaction conditions has been difficult, if not impossible, to ascertain, until recently. A

  8. AP-XPS Measures MIEC Oxides in Action

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

    AP-XPS Measures MIEC Oxides in Action Print Oxide materials with mixed ionic-electronic conductivity (MIEC) can conduct both electrons and oxygen ions. MIEC oxides have broad applications, including use in solid-oxide fuel cells, high-temperature electrolysis for synthetic fuel production, and oxygen-separating membranes for chemical processes or NOx-free combustion; however, their surface activity under reaction conditions has been difficult, if not impossible, to ascertain, until recently. A

  9. AP-XPS Measures MIEC Oxides in Action

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

    AP-XPS Measures MIEC Oxides in Action Print Oxide materials with mixed ionic-electronic conductivity (MIEC) can conduct both electrons and oxygen ions. MIEC oxides have broad applications, including use in solid-oxide fuel cells, high-temperature electrolysis for synthetic fuel production, and oxygen-separating membranes for chemical processes or NOx-free combustion; however, their surface activity under reaction conditions has been difficult, if not impossible, to ascertain, until recently. A

  10. AP-XPS Measures MIEC Oxides in Action

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

    AP-XPS Measures MIEC Oxides in Action Print Oxide materials with mixed ionic-electronic conductivity (MIEC) can conduct both electrons and oxygen ions. MIEC oxides have broad applications, including use in solid-oxide fuel cells, high-temperature electrolysis for synthetic fuel production, and oxygen-separating membranes for chemical processes or NOx-free combustion; however, their surface activity under reaction conditions has been difficult, if not impossible, to ascertain, until recently. A

  11. 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.

  12. Microfluidic chemical reaction circuits

    DOE Patents [OSTI]

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

    2012-06-26

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

  13. ITP Chemicals: Final Report: Evaluation of Alternative Technologies for

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

    Ethylene, Caustic-Chlorine, Ethylene Oxide, Ammonia, and Terephthalic Acid, December 2007 | Department of Energy Final Report: Evaluation of Alternative Technologies for Ethylene, Caustic-Chlorine, Ethylene Oxide, Ammonia, and Terephthalic Acid, December 2007 ITP Chemicals: Final Report: Evaluation of Alternative Technologies for Ethylene, Caustic-Chlorine, Ethylene Oxide, Ammonia, and Terephthalic Acid, December 2007 alt_tech_pub.pdf (2.71 MB) More Documents & Publications ITP

  14. Chemical Management System

    Energy Science and Technology Software Center (OSTI)

    1998-10-30

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

  15. Chemical & Engineering News

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

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

  16. 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.

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

    Open Energy Info (EERE)

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

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

    DOE Patents [OSTI]

    Doddapaneni, Narayan; Ingersoll, David

    1996-01-01

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

  19. Chemical Management Contacts

    Broader source: Energy.gov [DOE]

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

  20. Multimedia regulated chemicals

    SciTech Connect (OSTI)

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

    1999-10-01

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

  1. Aerosol Oxidation Speeds Up in Smoggy Air

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

    Aerosol Oxidation Speeds Up in Smoggy Air Aerosol Oxidation Speeds Up in Smoggy Air Print Wednesday, 17 February 2016 11:37 Organic aerosols (nanometer-sized liquid or solid particles suspended in air) are important constituents of the troposphere, and their chemistry has large-scale impacts on climate, pollution, and health. Accurate predictions of these aerosol impacts require a robust microphysical understanding of all relevant chemical reaction mechanisms and time scales, including those

  2. DOE - Office of Legacy Management -- Heyden Chemical Corp - NJ 19

    Office of Legacy Management (LM)

    Heyden Chemical Corp - NJ 19 FUSRAP Considered Sites Site: Heyden Chemical Corp. (NJ.19 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: American Cyanamid NJ.19-2 Location: Princeton , New Jersey NJ.19-1 Evaluation Year: 1987 NJ.19-1 Site Operations: Commercial chemical operation. AEC was interested in their process for keeping thorium oxide in suspension. No indication of AEC contractual relationship with Heyden. NJ.19-1 NJ.19-3 Site Disposition:

  3. 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

    2011-07-01

    Chemical Looping Combustion (CLC) is one promising fuel-combustion technology, which can facilitate economic CO2 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 work focused on two classes of oxygen carrier, one that merely undergoes a change in oxidation state, such as Fe3O4/Fe2O3 and one that is converted from its higher to its lower oxidation state by the release of oxygen on heating, i.e., CuO/Cu2O. This topical report discusses the results of four complementary efforts: (1) the development of process and economic models to optimize important design considerations, such as oxygen carrier circulation rate, temperature, residence time; (2) the development of high-performance simulation capabilities for fluidized beds and the collection, parameter identification, and preliminary verification/uncertainty quantification (3) the exploration of operating characteristics in the laboratory-scale bubbling bed reactor, with a focus on the oxygen carrier performance, including reactivity, oxygen carrying capacity, attrition resistance, resistance to deactivation, cost and availability (4) the identification of mechanisms and rates for the copper, cuprous oxide, and cupric oxide system using thermogravimetric analysis.

  4. 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.

  5. Chemical Sciences Capabilities

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

    Modeling and Simulation in the Chemical Sciences Capabilities Modeling and simulation help us transform chemical data into meaningful information: * Develop remote-sensors that detect nuclear materials * Perform large- or small-scaled process modeling * Simulate new chemicals with tailored properties for diverse applications * Analyze chemical reaction rates for complex modeling needs * Examine chemical-sciences data and modeling for nuclear forensics * Analyze high explosive data and perform

  6. Chemical Sector Analysis | NISAC

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

    NISACChemical Sector Analysis content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of capabilities for analyzing the consequences of disruptions to the chemical manufacturing industry. Each capability provides a different but complementary perspective on the questions of interest-questions like Given an event, will the entire chemical sector be impacted or just parts? Which chemicals, plants,

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

    DOE Patents [OSTI]

    Coops, Melvin S.

    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.

  8. Growth control of the oxidation state in vanadium oxide thin...

    Office of Scientific and Technical Information (OSTI)

    Growth control of the oxidation state in vanadium oxide thin films Prev Next Title: Growth control of the oxidation state in vanadium oxide thin films Authors: Lee, Shinbuhm ...

  9. 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.

  10. Metal Oxide Semiconductor Nanoparticles Open the Door to New Medical

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

    Innovations | Argonne National Laboratory Metal Oxide Semiconductor Nanoparticles Open the Door to New Medical Innovations Technology available for licensing: novel nanometer-sized metal oxide semiconductors that allow targeting, initiating and control of in vitro and in vivo chemical reactions in biological molecules, such as DNA, proteins, and antibodies. Allows for targeting, initiation and control of in vitro and in vivo chemical reactions in biological molecules Commercial applications

  11. 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.

  12. 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.

  13. 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).

  14. Chemicals | Department of Energy

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

    0 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. ace013_pitz_2010_o.pdf (1.44 MB) More Documents & Publications Chemical Kinetics Research on HCCI and Diesel Fuels Chemical Kinetic Research on HCCI & Diesel Fuels Vehicle Technologies Office Merit Review 2014: Chemical Kinetic Models for Advanced Engine Combustion

    Discusses detailed chemical kinetics mechanisms for complex hydrocarbon fuels and

  15. Chemical Hydrogen Storage Materials

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

    Troy A. Semelsberger Los Alamos National Laboratory Hydrogen Storage Summit Jan 27-29, 2015 Denver, CO Chemical Hydrogen Storage Materials 2 Objectives 1. Assess chemical hydrogen storage materials that can exceed 700 bar compressed hydrogen tanks 2. Status (state-of-the-art) of chemical hydrogen storage materials 3. Identify key material characteristics 4. Identify obstacles, challenges and risks for the successful deployment of chemical hydrogen materials in a practical on-board hydrogen

  16. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility molecular dynamics demonstrating the sintering mechanism under the influence of e-field Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film

  17. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film morphology, as well as their functional properties. Subramanian Sankaranarayanan, Argonne

  18. 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.

  19. lithium cobalt oxide cathode

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

    lithium cobalt oxide cathode - Sandia Energy Energy Search Icon Sandia Home Locations ... SunShot Grand Challenge: Regional Test Centers lithium cobalt oxide cathode Home...

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

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

    ITP Chemicals: Chemical Industry of the Future: New Biocatalysts: Essential Tools for a ... TECHNOLOGY VISION 2020: The U.S. Chemical Industry Gasoline Biodesulfurization Fact Sheet ...

  1. 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 ... ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying ...

  2. Oxidative particle mixtures for groundwater treatment

    DOE Patents [OSTI]

    Siegrist, Robert L.; Murdoch, Lawrence C.

    2000-01-01

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

  3. Chemical Resources | Sample Preparation Laboratories

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

    Chemical Resources Chemical Inventory All Sample Preparation Labs are stocked with an assortment of common solvents, acids, bases, buffers, and other reagents. See our Chemical ...

  4. Chemically bonded phospho-silicate ceramics

    DOE Patents [OSTI]

    Wagh, Arun S.; Jeong, Seung Y.; Lohan, Dirk; Elizabeth, Anne

    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.

  5. 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.

  6. Complex oxides: Intricate disorder

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

    Uberuaga, Blas Pedro

    2016-02-29

    In this study, complex oxides such as pyrochlores have a myriad of potential technological applications, including as fast ion conductors and radiation-tolerant nuclear waste forms. They are also of interest for their catalytic and spin ice properties. Many of these functional properties are enabled by the atomic structure of the cation sublattices. Pyrochlores (A2B2O7) contain two different cations (A and B), typically a 3+ rare earth and a 4+ transition metal such as Hf, Zr, or Ti. The large variety of chemistries that can form pyrochlores leads to a rich space in which to search for exotic new materials. Furthermore,more » how cations order or disorder on their respective sublattices for a given chemical composition influences the functional properties of the oxide. For example, oxygen ionic conductivity is directly correlated with the level of cation disorder — the swapping of A and B cations1. Further, the resistance of these materials against amorphization has also been connected with the ability of the cations to disorder2, 3. These correlations between cation structure and functionality have spurred great interest in the structure of the cation sublattice under irradiation, with significant focus on the disordering mechanisms and disordered structure. Previous studies have found that, upon irradiation, pyrochlores often undergo an order-to-disorder transformation, in which the resulting structure is, from a diffraction point of view, indistinguishable from fluorite (AO2) (ref. 3). Shamblin et al. now reveal that the structure of disordered pyrochlore is more complicated than previously thought4.« less

  7. 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.

  8. 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.

  9. 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.

  10. Apparatus for chemical synthesis

    DOE Patents [OSTI]

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

    2011-05-10

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

  11. CAMD Cleanroom Chemical List

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

    CAMD Cleanroom Chemical List Chemicals on this list are routine use chemicals in the CAMD Cleanroom and are available to users for general use. All others (*) are approved for use in the cleanroom but are not provided by CAMD. You must purchase from your department and store at the facility. If there are any other chemicals that you need to use that are not on this list, contact the Safety Director, Dr. Lorraine Day, day@lsu.edu, 225-578-4616 for approval. Resists Developers *AZ 1505 *AZ 1512

  12. Photo-oxidation catalysts

    DOE Patents [OSTI]

    Pitts, J. Roland; Liu, Ping; Smith, R. Davis

    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.

  13. 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.

  14. Oxygen Carriers for Solid Fuel Chemical Looping Combustion Process - Energy

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

    Innovation Portal Oxygen Carriers for Solid Fuel Chemical Looping Combustion Process Regenerable Mixed Copper-Iron-Inert Support Oxygen Carriers National Energy Technology Laboratory Contact NETL About This Technology Publications: PDF Document Publication 13159553.pdf (405 KB) Technology Marketing Summary This patent-pending technology, "Regenerable Mixed Copper-Iron-Inert Support Oxygen Carriers for Solid Fuel Chemical Looping Combustion Process," provides a metal-oxide oxygen

  15. Tortuous path chemical preconcentrator

    DOE Patents [OSTI]

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

    2010-09-21

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

  16. Studies on supported metal oxide-oxide support interactions ...

    Office of Scientific and Technical Information (OSTI)

    Subject: 36 MATERIALS SCIENCE; 66 PHYSICS; CERIUM OXIDES; SURFACE PROPERTIES; ALUMINIUM OXIDES; COPPER OXIDES; BINDING ENERGY; X-RAY DIFFRACTION; INFRARED SPECTRA; VALENCE; ZINC ...

  17. 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...

  18. Process for preparing active oxide powders

    DOE Patents [OSTI]

    Berard, Michael F.; Hunter, Jr., Orville; Shiers, Loren E.; Dole, Stephen L.; Scheidecker, Ralph W.

    1979-02-20

    An improved process for preparing active oxide powders in which cation hydroxide gels, prepared in the conventional manner are chemically dried by alternately washing the gels with a liquid organic compound having polar characteristics and a liquid organic compound having nonpolar characteristics until the mechanical water is removed from the gel. The water-free cation hydroxide is then contacted with a final liquid organic wash to remove the previous organic wash and speed drying. The dried hydroxide treated in the conventional manner will form a highly sinterable active oxide powder.

  19. 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.

  20. Selecting chemical treatment programs

    SciTech Connect (OSTI)

    Miller, J.E. )

    1988-09-01

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

  1. Growth control of the oxidation state in vanadium oxide thin...

    Office of Scientific and Technical Information (OSTI)

    Growth control of the oxidation state in vanadium oxide thin films Citation Details In-Document Search Title: Growth control of the oxidation state in vanadium oxide thin films ...

  2. Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin

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

    Films | ANSER Center | Argonne-Northwestern National Laboratory Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin Films Home > Research > ANSER Research Highlights > Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin Films

  3. Enhanced Chemical Cleaning

    SciTech Connect (OSTI)

    Spires, Renee H.

    2010-11-01

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

  4. Chemicals from coal

    SciTech Connect (OSTI)

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

    2004-12-01

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

  5. 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.

  6. American Chemical Society Fellows

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

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

  7. 2. Chemical Kinetics

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

    Chung K. Law Robert H. Goddard Professor Princeton University Princeton-CEFRC-Combustion Institute Summer School on Combustion June 20-24, 2016 1 What is Combustion? * Study of chemically reacting flows with highly exothermic, temperature-sensitive reactions A Laminar Bunsen Flame A Turbulent Jet Flame Combustion is A Multi-physics & Multi-scale Science * Combustion is a multi- physics science, embodying two major branches of nonlinear science: - Chemical kinetics - Fluid mechanics *

  8. Chemical Diagnostics and Engineering

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

    CDE Chemical Diagnostics and Engineering We support stockpile manufacturing, surveillance, applied and basic energy sciences, threat reduction, public health, the environment, and space exploration. Contact Us Group Leader Peter Stark Deputy Group Leader Tom Yoshida Group Office (505) 667-5740 X-Ray Photoelectron Spectroscopy X-Ray Photoelectron Spectroscopy The Chemical Diagnostics and Engineering (C-CDE) Group combines engineering design with routine analytical services and state-of-the-art

  9. Chemical Kinetic Reaction Mechanisms for Combustion of Hydrocarbon and Other Types of Chemical Fuels

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The central feature of the Combustion Chemistry project at LLNL is the development, validation, and application of detailed chemical kinetic reaction mechanisms for the combustion of hydrocarbon and other types of chemical fuels. For the past 30 years, LLNL's Chemical Sciences Division has built hydrocarbon mechanisms for fuels from hydrogen and methane through much larger fuels including heptanes and octanes. Other classes of fuels for which models have been developed include flame suppressants such as halons and organophosphates, and air pollutants such as soot and oxides of nitrogen and sulfur. Reaction mechanisms have been tested and validated extensively through comparisons between computed results and measured data from laboratory experiments (e.g., shock tubes, laminar flames, rapid compression machines, flow reactors, stirred reactors) and from practical systems (e.g., diesel engines, spark-ignition engines, homogeneous charge, compression ignition (HCCI) engines). These kinetic models are used to examine a wide range of combustion systems.

  10. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

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

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; Yildiz, Bilge

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields andmore » the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.« less

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

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

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

  12. Aerosol Oxidation Speeds Up in Smoggy Air

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

    Aerosol Oxidation Speeds Up in Smoggy Air Print Organic aerosols (nanometer-sized liquid or solid particles suspended in air) are important constituents of the troposphere, and their chemistry has large-scale impacts on climate, pollution, and health. Accurate predictions of these aerosol impacts require a robust microphysical understanding of all relevant chemical reaction mechanisms and time scales, including those involving highly reactive free-radical molecules. However, detailed modeling is

  13. Aerosol Oxidation Speeds Up in Smoggy Air

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

    Aerosol Oxidation Speeds Up in Smoggy Air Print Organic aerosols (nanometer-sized liquid or solid particles suspended in air) are important constituents of the troposphere, and their chemistry has large-scale impacts on climate, pollution, and health. Accurate predictions of these aerosol impacts require a robust microphysical understanding of all relevant chemical reaction mechanisms and time scales, including those involving highly reactive free-radical molecules. However, detailed modeling is

  14. Aerosol Oxidation Speeds Up in Smoggy Air

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

    Aerosol Oxidation Speeds Up in Smoggy Air Print Organic aerosols (nanometer-sized liquid or solid particles suspended in air) are important constituents of the troposphere, and their chemistry has large-scale impacts on climate, pollution, and health. Accurate predictions of these aerosol impacts require a robust microphysical understanding of all relevant chemical reaction mechanisms and time scales, including those involving highly reactive free-radical molecules. However, detailed modeling is

  15. 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.

  16. Partial oxidation catalyst

    DOE Patents [OSTI]

    Krumpelt, Michael; Ahmed, Shabbir; Kumar, Romesh; Doshi, Rajiv

    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.

  17. 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.

  18. 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.

  19. Biological and Chemical Security

    SciTech Connect (OSTI)

    Fitch, P J

    2002-12-19

    The LLNL Chemical & Biological National Security Program (CBNP) provides science, technology and integrated systems for chemical and biological security. Our approach is to develop and field advanced strategies that dramatically improve the nation's capabilities to prevent, prepare for, detect, and respond to terrorist use of chemical or biological weapons. Recent events show the importance of civilian defense against terrorism. The 1995 nerve gas attack in Tokyo's subway served to catalyze and focus the early LLNL program on civilian counter terrorism. In the same year, LLNL began CBNP using Laboratory-Directed R&D investments and a focus on biodetection. The Nunn-Lugar-Domenici Defense Against Weapons of Mass Destruction Act, passed in 1996, initiated a number of U.S. nonproliferation and counter-terrorism programs including the DOE (now NNSA) Chemical and Biological Nonproliferation Program (also known as CBNP). In 2002, the Department of Homeland Security was formed. The NNSA CBNP and many of the LLNL CBNP activities are being transferred as the new Department becomes operational. LLNL has a long history in national security including nonproliferation of weapons of mass destruction. In biology, LLNL had a key role in starting and implementing the Human Genome Project and, more recently, the Microbial Genome Program. LLNL has over 1,000 scientists and engineers with relevant expertise in biology, chemistry, decontamination, instrumentation, microtechnologies, atmospheric modeling, and field experimentation. Over 150 LLNL scientists and engineers work full time on chemical and biological national security projects.

  20. Process Intensification - Chemical Sector Focus

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

    Process Intensification - Chemical Sector Focus 1 Technology Assessment 2 Contents 3 1. Introduction ..................................................................................................................................................................... 1 4 2. Technology Assessment and Potential ................................................................................................................. 5 5 2.1 Chemical Industry Focus

  1. The role of fuel-borne catalyst in diesel particulate oxidation behavior

    SciTech Connect (OSTI)

    Song, Juhun; Boehman, Andre L.; Wang, Jinguo

    2006-07-15

    This study addresses the difference in oxidation behavior of diesel particulates at two different load conditions with and without incorporated metal oxides from an iron-based fuel-borne catalyst (FBC). High-resolution transmission electron microscopy imaging, together with electron energy loss spectroscopy is used to evaluate the microstructure and chemical state of the metal oxides that occur during soot formation and to understand the manner in which these properties can affect subsequent soot oxidation. The results here show that FBC-doped soot at low load is more likely to have enrichment of metal oxide on the outer periphery of the soot surface than FBC-doped soot at high load. From element microanalysis, a higher ratio of metal oxide to carbon was observed with FBC-doped soot at low load. Oxidation results indicate that the higher oxidative reactivity is associated with better spreading of the metal oxide on the soot surface. (author)

  2. 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.

  3. Micromachined chemical jet dispenser

    DOE Patents [OSTI]

    Swierkowski, Steve P.

    1999-03-02

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

  4. Method for removing oxide contamination from titanium diboride powder

    DOE Patents [OSTI]

    Brynestad, Jorulf; Bamberger, Carlos E.

    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.

  5. Method for removing oxide contamination from titanium diboride powder

    DOE Patents [OSTI]

    Brynestad, J.; Bamberger, C.E.

    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 to 800/sup 0/C. The BCl/sub 3/ reacts with the oxides to form volatile species which are removed by the BCl/sub 3/ exit stream.

  6. Plasmonic metal oxide nanocrystals | MIT-Harvard Center for Excitonics

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

    metal oxide nanocrystals April 5, 2016 at 4:30pm/34-401A Delia Milliron Department of Chemical Engineering, The University of Texas at Austin Delia-Milliron.01 Degenerately doped metal oxide semiconductors, like ITO, exhibit plasmonic resonance at near and mid-infrared wavelengths tunable by varying their composition. Nanocrystals of many such materials have now been synthesized and applications are emerging that leverage the responsiveness of their localized surface plasmon resonance (LSPR) to

  7. 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.

  8. Equilibria in Chemical Systems

    Energy Science and Technology Software Center (OSTI)

    1992-01-01

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

  9. 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.

  10. 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.

  11. 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.

  12. ARM - Oxides of Nitrogen

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

    Oxides of Nitrogen Outreach Home Room News Publications Traditional Knowledge Kiosks Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Oxides of Nitrogen Oxides of nitrogen, chlorofluorocarbons (CFCs), and ozone have a lesser effect on the atmosphere than carbon dioxide and methane, but as you will see they are important contributors to the greenhouse

  13. Superconductive ceramic oxide combination

    SciTech Connect (OSTI)

    Chatterjee, D.K.; Mehrotra, A.K.; Mir, J.M.

    1991-03-05

    This patent describes the combination of a superconductive ceramic oxide which degrades in conductivity upon contact of ambient air with its surface and, interposed between the ceramic oxide surface and ambient air in the amount of at least 1 mg per square meter of surface area of the superconductive ceramic oxide, a passivant polymer selected from the group consisting of a polyester ionomer and an alkyl cellulose.

  14. OXIDATION OF TRANSURANIC ELEMENTS

    DOE Patents [OSTI]

    Moore, R.L.

    1959-02-17

    A method is reported for oxidizing neptunium or plutonium in the presence of cerous values without also oxidizing the cerous values. The method consists in treating an aqueous 1N nitric acid solution, containing such cerous values together with the trivalent transuranic elements, with a quantity of hydrogen peroxide stoichiometrically sufficient to oxidize the transuranic values to the hexavalent state, and digesting the solution at room temperature.

  15. Category:Chemical Logging | Open Energy Information

    Open Energy Info (EERE)

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

  16. Mixed oxide solid solutions

    DOE Patents [OSTI]

    Magno, Scott; Wang, Ruiping; Derouane, Eric

    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.

  17. Graphene oxide overprints for flexible and transparent electronics

    SciTech Connect (OSTI)

    Rogala, M. Wlasny, I.; Kowalczyk, P. J.; Busiakiewicz, A.; Kozlowski, W.; Klusek, Z.; Sieradzki, Z.; Krucinska, I.; Puchalski, M.; Skrzetuska, E.

    2015-01-26

    The overprints produced in inkjet technology with graphene oxide dispersion are presented. The graphene oxide ink is developed to be fully compatible with standard industrial printers and polyester substrates. Post-printing chemical reduction procedure is proposed, which leads to the restoration of electrical conductivity without destroying the substrate. The presented results show the outstanding potential of graphene oxide for rapid and cost efficient commercial implementation to production of flexible electronics. Properties of graphene-based electrodes are characterized on the macro- and nano-scale. The observed nano-scale inhomogeneity of overprints' conductivity is found to be essential in the field of future industrial applications.

  18. Chemical Supply Chain Analysis | NISAC

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

    NISACCapabilitiesChemical Supply Chain Analysis content top Chemical Supply Chain Analysis NISAC has developed a range of capabilities for analyzing the consequences of disruptions to the chemical manufacturing industry. Each capability provides a different but complementary perspective on the questions of interest-questions like Given an event, will the entire chemical sector be impacted or just parts? Which chemicals, plants, and complexes could be impacted? In which regions of the country?

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

    SciTech Connect (OSTI)

    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 development of lanthanum-based perovskite oxides as advanced catalysts for both energy conversion applications and traditional heterogeneous reactions.

  20. Electrolyte optimization for cathodic growth of zinc oxide films

    SciTech Connect (OSTI)

    Izaki, Masanobu; Omi, Takashi

    1996-03-01

    Zinc oxide is of considerable interest to the optical and electronic industries, because of its electrical, optical, and acoustic characteristics. ZnO films can be prepared by several techniques, such as radio frequency (RF) magnetron sputtering, chemical vapor deposition, and molecular beam epitaxy. Preparation of oxide films by electrodeposition from aqueous solutions has several potential advantages over the other techniques. However, the formation of oxide films through electrochemical reactions have been demonstrated only on thallic oxide by Switzer and zirconium oxide by Gal-Or. In this work, the authors have prepared transparent ZnO films with optical bandgap energy of 3.3 eV by electrodeposition from an aqueous, 0.1 mol/liter zinc nitrate electrolyte. The deposition technology is still being developed. This paper reports the effects of the electrolyte concentration on the electrodeposition and properties of the ZnO films.

  1. 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

  2. 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.

  3. CX-000526: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    M-Area Chemical Oxidation (MACO)CX(s) Applied: B6.1Date: 09/09/2009Location(s): Aiken, South CarolinaOffice(s): Environmental Management, Savannah River Operations Office

  4. CX-000495: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    M-Area Chemical Oxidation (MACO) - Installation of Southern Sector Coreholes and Monitoring Wells Date: 06/15/2009Location(s): Aiken, South CarolinaOffice(s): Environmental Management, Savannah River Operations Office

  5. CX-004814: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    M-Area Chemical Oxidation (MACO) Phase II: Vadose Zone Implant InstallationCX(s) Applied: B3.1Date: 12/02/2010Location(s): Aiken, South CarolinaOffice(s): Savannah River Operations Office

  6. Higher Americium Oxidation State Research Roadmap

    SciTech Connect (OSTI)

    Mincher, Bruce J.; Law, Jack D.; Goff, George S.; Moyer, Bruce A.; Burns, Jon D.; Lumetta, Gregg J.; Sinkov, Sergey I.; Shehee, Thomas C.; Hobbs, David T.

    2015-12-18

    The partitioning of hexavalent Am from dissolved nuclear fuel requires the ability to efficiently oxidize Am(III) to Am(VI) and to maintain that oxidation state for a length of time sufficient to perform the separation. Several oxidants have been, or are being developed. Chemical oxidants include Ag-catalyzed ozone, Ag-catalyzed peroxydisulfate, Cu(III) periodate, and sodium bismuthate. Hexavalent americium has also now successfully been prepared by electrolysis, using functionalized electrodes. So-called auto-reduction rates of Am(VI) are sufficiently slow to allow for separations. However, for separations based on solvent extraction or ion exchange using organic resins, the high valence state must be maintained under the reducing conditions of the organic phase contact, and a holding oxidant is probably necessary. Until now, only Cu(III) periodate and sodium bismuthate oxidation have been successfully combined with solvent extraction separations. Bismuthate oxidation provided the higher DAm, since it acts as its own holding oxidant, and a successful hot test using centrifugal contactors was performed. For the other oxidants, Ag-catalyzed peroxydisulfate will not oxidize americium in nitric acid concentrations above 0.3 M, and it is not being further investigated. Peroxydisulfate in the absence of Ag catalysis is being used to prepare Am(V) in ion exchange work, discussed below. Preliminary work with Ag-catalyzed ozone has been unsuccessful for extractions of Am(VI) from 6.5 M HNO3, and only one attempt at extraction, also from 6.5 M HNO3, using the electrolytic oxidation has been attempted. However, this high acid concentration was based on the highest Am extraction efficiency using the bismuthate oxidant; which is only sparingly soluble, and thus the oxidation yield is based on bismuthate solubility. Lower acid concentrations may be sufficient with alternative oxidants and work with Ag-ozone, Cu(III) and electrolysis is on-going. Two non

  7. 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.

  8. Reducible oxide based catalysts

    DOE Patents [OSTI]

    Thompson, Levi T.; Kim, Chang Hwan; Bej, Shyamal K.

    2010-04-06

    A catalyst is disclosed herein. The catalyst includes a reducible oxide support and at least one noble metal fixed on the reducible oxide support. The noble metal(s) is loaded on the support at a substantially constant temperature and pH.

  9. 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.

  10. Stabilized chromium oxide film

    DOE Patents [OSTI]

    Garwin, Edward L.; Nyaiesh, Ali R.

    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.