Sample records for oxidants study sos

  1. ARM - Field Campaign - 1995 Southern Oxidants Study (SOS)

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of ScienceandMesa del(ANL-IN-03-032)8Li (59AJ76)ARM2, 2006 [FacilityMission Under5 Southern Oxidants

  2. A Facial Reduction Algorithm for Finding Sparse SOS Representations

    E-Print Network [OSTI]

    2009-11-06T23:59:59.000Z

    facial reduction algorithm and the elimination method for a sparse. SOS polynomial. ... reduce the size of the SDP obtained from a sparse SOS polynomial.

  3. Sos Cuetara | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnualProperty Edit with form HistoryRistmaSinosteelSolarSolkar SolarSomont GmbHSonnengeldSos Cuetara

  4. Oxidation Resistant Graphite Studies

    SciTech Connect (OSTI)

    W. Windes; R. Smith

    2014-07-01T23:59:59.000Z

    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.

  5. Comparing SOS and SDP relaxations of sensor network localization

    E-Print Network [OSTI]

    2011-03-27T23:59:59.000Z

    Jan 18, 2010 ... by expanding the objective function in (16) and replacing ...... new anchors, and run sparse-SOS relaxation in the remaining reduced net- work.

  6. Model catalytic oxidation studies using supported monometallic and heterobimetallic oxides

    SciTech Connect (OSTI)

    Ekerdt, J.G.

    1992-02-03T23:59:59.000Z

    This research program is directed toward a more fundamental understanding of the effects of catalyst composition and structure on the catalytic properties of metal oxides. Metal oxide catalysts play an important role in many reactions bearing on the chemical aspects of energy processes. Metal oxides are the catalysts for water-gas shift reactions, methanol and higher alcohol synthesis, isosynthesis, selective catalytic reduction of nitric oxides, and oxidation of hydrocarbons. A key limitation to developing insight into how oxides function in catalytic reactions is in not having precise information of the surface composition under reaction conditions. To address this problem we have prepared oxide systems that can be used to study cation-cation effects and the role of bridging (-O-) and/or terminal (=O) surface oxygen anion ligands in a systematic fashion. Since many oxide catalyst systems involve mixtures of oxides, we selected a model system that would permit us to examine the role of each cation separately and in pairwise combinations. Organometallic molybdenum and tungsten complexes were proposed for use, to prepare model systems consisting of isolated monomeric cations, isolated monometallic dimers and isolated bimetallic dimers supported on silica and alumina. The monometallic and bimetallic dimers were to be used as models of more complex mixed- oxide catalysts. Our current program was to develop the systems and use them in model oxidation reactions.

  7. `Save Our Squirrels' (SOS) A Red Alert North England Project

    E-Print Network [OSTI]

    `Save Our Squirrels' (SOS) A Red Alert North England Project objectives The red squirrel is Britain in England. Action is needed if numbers are to be stabilised. The `Save Our Squirrels' Project (SOS) was set targeted area works with partners and woodland owners to fight to save the red squirrel. We

  8. Learn More: sos.noaa.gov 24 Science On a Sphere: Seeing the

    E-Print Network [OSTI]

    they have ever seen before. Called "Science On a Sphere®" (SOS), this wrap-around cinema system ­ inventedLearn More: sos.noaa.gov 24 EDUCATION Science On a Sphere®: Seeing the Dynamics of a Changing Earth of the sphere. Today, the SOS team has worked with science centers and museums to place SOS displays at more

  9. Spectroscopic studies of metal growth on oxides

    E-Print Network [OSTI]

    Luo, Kai

    2000-01-01T23:59:59.000Z

    : Chemistry SPECTROSCOPIC STUDIES OF METAL GROWTH ON OXIDES A Thesis by KAI LUO Submitted to Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE Approved as to style a d content by: avid W. Goodman.... , Jilin University, P. R. China Chair of Advisory Committee: Dr, David W. Goodman Metal/oxide chemistry and metal cluster growth on oxides are fundamental to our understanding of the catalytic activity and selectivity of metal catalysts, thus...

  10. A Theoretical Study of Methanol Oxidation Catalyzed by Isolated...

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

    Methanol Oxidation Catalyzed by Isolated Vanadia Clusters Supported on the (101) Surface of Anatase. A Theoretical Study of Methanol Oxidation Catalyzed by Isolated Vanadia...

  11. CeSOS Highlights and AMOS Visions Conference

    E-Print Network [OSTI]

    Nørvåg, Kjetil

    Technology FME BIGCCS (-2017) International Carbon Capture and Storage Research Center FME Cedren (-2017 of Engineering Science and Technology, NTNU Chairman of the Boards in CeSOS and AMOS #12;Vision: Knowledge 2012 #12;Yet another successful year for the Faculty of Engineering Science and Technology! (Host

  12. Model catalytic oxidation studies using supported monometallic and heterobimetallic oxides

    SciTech Connect (OSTI)

    Ekerdt, J.G.

    1991-04-30T23:59:59.000Z

    This research program is directed toward developing a fundamental understanding of how catalyst composition, redox ability, and structure control the catalytic properties of metal oxides. Oxide systems that permit examination of the role of metal oxide cations separately and in pairwise combinations are being developed. Organometallic complexes containing C{sub 3}-allyl, cyclopentadienyl, or carbonyl ligands are exchanged with the hydroxide ligands of silica, alumina, titania, zirconia and magnesia supports. The exchange technique is used to achieve high metal oxide loadings without the formation of supported crystallites over silica. The organometallic route may also lead to oxygen-bridged cations and/or cation pairs over the supports prior to full oxidation. The anchored complex is subsequently oxidized to generate a supported oxide. 2 refs., 1 tab.

  13. Study of the Low Temperature Oxidation of Propane Maximilien Cord

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Study of the Low Temperature Oxidation of Propane Maximilien Cord , Benoit Husson , Juan of China, Hefei, Anhui 230029, P. R. China Abstract The lowtemperature oxidation of propane oxidation of propane in the gas phase has been the subject of very few experimental studies, mainly

  14. Photoluminescence study in diaminobenzene functionalized graphene oxide

    SciTech Connect (OSTI)

    Gupta, Abhisek, E-mail: guptaabhisek017@gmail.com, E-mail: cnssks@iacs.res.in; Saha, Shyamal K., E-mail: guptaabhisek017@gmail.com, E-mail: cnssks@iacs.res.in [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India)

    2014-10-15T23:59:59.000Z

    Being an excellent electronic material graphene is a very poor candidate for optoelectronic applications. One of the major strategies to develop the optical property in GO is the functionalization of graphene oxide (GO). In the present work GO sheets are functionalized by o-phenylenediamine to achieve diaminobenzene functionalized GO composite (DAB-GO). Formation of DAB-GO composite is further characterized by FTIR, UV, Raman studies. Excellent photoluminescence is observed in DAB-GO composite via passivation of the surface reactive sites by ring-opening amination of epoxides of GO.

  15. EURODISPLAY 2002 631 P-64: A Comparative Study of Metal Oxide Coated Indium-tin Oxide Anodes

    E-Print Network [OSTI]

    EURODISPLAY 2002 631 P-64: A Comparative Study of Metal Oxide Coated Indium-tin Oxide Anodes and Technology Clear Water Bay, Kowloon, Hong Kong Abstract Indium-tin oxide anodes capped with certain oxides-emitting diodes (OLEDs). The oxides of tin, zinc, praseodymium, yttrium, gallium, terbium and titanium have been

  16. Isotopic Tracer Studies of Reaction Pathways for Propane Oxidative Dehydrogenation on Molybdenum Oxide Catalysts

    E-Print Network [OSTI]

    Iglesia, Enrique

    Isotopic Tracer Studies of Reaction Pathways for Propane Oxidative Dehydrogenation on Molybdenum of propane over ZrO2-supported MoOx catalysts. Competitive reactions of C3H6 and CH3 13 CH2CH3 showed combustion of propene, or by direct combustion of propane. A mixture of C3H8 and C3D8 undergoes oxidative

  17. A DNA Damage-Induced, SOS-Independent Checkpoint Regulates Cell Division in Caulobacter crescentus

    E-Print Network [OSTI]

    Modell, Joshua W.

    Cells must coordinate DNA replication with cell division, especially during episodes of DNA damage. The paradigm for cell division control following DNA damage in bacteria involves the SOS response where cleavage of the ...

  18. A Complete Characterization of the Gap between Convexity and SOS-Convexity

    E-Print Network [OSTI]

    Ahmadi, Amir Ali

    Our first contribution in this paper is to prove that three natural sum of squares (sos) based sufficient conditions for convexity of polynomials, via the definition of convexity, its first order characterization, and its ...

  19. A neutron diffraction study of nano-crystalline graphite oxide

    E-Print Network [OSTI]

    and regions containing oxidized chain-like structures. The neutron scattering pair distribution function is heterogeneous, the total neutron scattering data presented in this paper gives a statistically averagedA neutron diffraction study of nano-crystalline graphite oxide J.A. Johnsona,b,*, C.J. Benmoreb , S

  20. An EPR study of ¹?O? on magnesium oxide 

    E-Print Network [OSTI]

    Wong, Ning-Bew

    1971-01-01T23:59:59.000Z

    AN EPR STUDY OF 0 ON MAGNESIUM OXIDE A Thesis by NING-SEW WONG Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement for the degree of MASTER OF SCIENCE May 1971 Major Subject: Chemistry AN EPR... STUDY OF 0 ON MAGNESIUM OXIDE A Thesis by NING-BEN WONG Approved as to style and content by: (Chairman of Committe (Head of Department) (Member) (Member) May 1971 ABSTRACT 17 An EPR Study of 0 on Magnesium Oxide (May, 1971) Ning-Bew Wong, B...

  1. Optical and electrical studies of cerium mixed oxides

    SciTech Connect (OSTI)

    Sherly, T. R., E-mail: trsherly@gmail.com [Post Graduate Department of Physics, Sanathana Dharma College, Alappuzha, Kerala (India); Raveendran, R. [Nanoscience Research Laboratory, Sree Narayana College, Kollam, Kerala 691001 (India)

    2014-10-15T23:59:59.000Z

    The fast development in nanotechnology makes enthusiastic interest in developing nanomaterials having tailor made properties. Cerium mixed oxide materials have received great attention due to their UV absorption property, high reactivity, stability at high temperature, good electrical property etc and these materials find wide applications in solid oxide fuel cells, solar control films, cosmetics, display units, gas sensors etc. In this study cerium mixed oxide compounds were prepared by co-precipitation method. All the samples were doped with Zn (II) and Fe (II). Preliminary characterizations such as XRD, SEM / EDS, TEM were done. UV - Vis, Diffuse reflectance, PL, FT-IR, Raman and ac conductivity studies of the samples were performed.

  2. Lithiation of Tin Oxide: A Computational Study

    E-Print Network [OSTI]

    Pedersen, Andreas

    2015-01-01T23:59:59.000Z

    We suggest that the lithiation of pristine SnO forms a layered Li$_\\text{X}$O structure while the expelled tin atoms agglomerate into 'surface' planes separating the Li$_\\text{X}$O layers. The proposed lithiation model widely differs from the common assumption that tin segregates into nano-clusters embedded in the lithia matrix. With this model we are able to account for the various tin bonds that are seen experimentally and explain the three volume expansion phases that occur when SnO undergoes lithiation: (i) at low concentrations Li behaves as an intercalated species inducing small volume increases; (ii) for intermediate concentrations SnO transforms into lithia causing a large expansion; (iii) finally, as the Li concentration further increases a saturation of the lithia takes place until a layered Li$_2$O is formed. A moderate volume expansion results from this last process. We also report a 'zipper' nucleation mechanism that could provide the seed for the transformation from tin oxide to lithium oxide.

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

    SciTech Connect (OSTI)

    Assary, R. S.; Curtiss, L. A.; Redfern, P. C.; Zhang, Z.; Amine, K. (Center for Nanoscale Materials); ( CSE); ( MSD); (Northwestern Univ.)

    2011-06-23T23:59:59.000Z

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

  4. Regulation of E. coli SOS mutagenesis by dimeric intrinsically disordered umuD gene products

    E-Print Network [OSTI]

    Simon, Sharotka M. (Sharotka Maria)

    2007-01-01T23:59:59.000Z

    Products of the umuD gene in E. coli are involved in regulating the timing of error-free DNA repair processes and mutagenic translesion DNA synthesis (TLS) during the SOS response to DNA damage. Homodimeric UmuD2 is ...

  5. Energy Based Methods in Wind Turbine Control CeSOS Highlights and AMOS Visions

    E-Print Network [OSTI]

    Nørvåg, Kjetil

    Energy Based Methods in Wind Turbine Control CeSOS Highlights and AMOS Visions Morten D. Pedersen 1 / 26 #12;This talk 1 Background 2 Understanding the Wind Turbine 3 Nonlinear Turbine Modeling 4;Background The Problem Previously stable wind turbine systems began exhibiting resonant behavior when put

  6. SOS 6932 -Pedology -Spring Semester, 2006 Syllabus for Distance Education Students

    E-Print Network [OSTI]

    Ma, Lena

    articles, etc.) will also be assigned. WEBPAGE ADDRESS: wgharris.ifas.ufl.edu. Select "Pedology". Use this documentation to the Instructor when requesting accommodation. ACADEMIC HONESTY: Every student signs a statement of academic honesty when they register. This statement is in effect for SOS 4715/5716. STUDENT RESOURCES

  7. Oxidation reactions on neutral cobalt oxide clusters: experimental and theoretical studies

    E-Print Network [OSTI]

    Rocca, Jorge J.

    oxidation,24­41 nitrogen monoxide reduction and oxidation,24,36a,42­44 and Fischer­Tropsch reactions.45

  8. Model catalytic oxidation studies using supported monometallic and heterobimetallic oxides. Progress report, August 1, 1991--January 31, 1992

    SciTech Connect (OSTI)

    Ekerdt, J.G.

    1992-02-03T23:59:59.000Z

    This research program is directed toward a more fundamental understanding of the effects of catalyst composition and structure on the catalytic properties of metal oxides. Metal oxide catalysts play an important role in many reactions bearing on the chemical aspects of energy processes. Metal oxides are the catalysts for water-gas shift reactions, methanol and higher alcohol synthesis, isosynthesis, selective catalytic reduction of nitric oxides, and oxidation of hydrocarbons. A key limitation to developing insight into how oxides function in catalytic reactions is in not having precise information of the surface composition under reaction conditions. To address this problem we have prepared oxide systems that can be used to study cation-cation effects and the role of bridging (-O-) and/or terminal (=O) surface oxygen anion ligands in a systematic fashion. Since many oxide catalyst systems involve mixtures of oxides, we selected a model system that would permit us to examine the role of each cation separately and in pairwise combinations. Organometallic molybdenum and tungsten complexes were proposed for use, to prepare model systems consisting of isolated monomeric cations, isolated monometallic dimers and isolated bimetallic dimers supported on silica and alumina. The monometallic and bimetallic dimers were to be used as models of more complex mixed- oxide catalysts. Our current program was to develop the systems and use them in model oxidation reactions.

  9. Formation of gas-phase peroxides in a rural atmosphere: An interpretation of the recent SOS/SERON field results

    SciTech Connect (OSTI)

    Lee, J.H.; Tang, I.N. [Brookhaven National Lab., Upton, NY (United States); Weinstein-Lloyd, J.B. [State Univ. of New York, Old Westbury, NY (United States). Chemistry/Physics Dept.

    1993-09-01T23:59:59.000Z

    Hydrogen perioxide (H{sub 2}O{sub 2}) and certain organic peroxides such as hydroxymethyl-hydroperoxide (HMHP), are gas-phase oxidants present in the atmosphere at ppbv concentration levels. These oxidants play an important role in atmospheric chemistry. In addition, precipitation containing H{sub 2}O{sub 2} is toxic to trees, and it has also been suggested that organic peroxides formed presumably by ozone reactions with biogenic alkenes are responsible for leaf disorders. Recently, we have developed a nonenzymatic method or aqueous-phase H{sub 2}O{sub 2} measurement, using Fenton reagent and fluorescent hydroxy- benzoic acid. The new method, in conjunction with the well-known method of p-hydroxyphenylacetic acid and horseradish peroxidase for total peroxides, and together with an improved gas scrubber to mitigate sampling line problems, has been successfully deployed in recent SOS/SERON field measurements in rural Georgia. For the first time, continuously measured and speciated gas-phase peroxide data have become available, making it possible to examine some aspects of the ozone chemistry leading to the formation of these oxidants. It is observed that daily H{sub 2}O{sub 2} maximum frequently occurs at a different time than does HMHP, and that H{sub 2}O{sub 2} concentration, but not HMHP, tends to correlate with solar fluxes measured at the same location. These findings seem to indicate that the formation mechanisms for H{sub 2}O{sub 2} and organic peroxides are basically different. It is likely that H{sub 2}O{sub 2} is formed from radical-radical recombination, while HMHP is formed by ozone-alkene reactions. Since the gas-phase ozone-alkene reactions are usually too slow to account for the diurnal concentration variations observed for HMHP, heterogeneous processes involving ozone and alkenes are also a possibility.

  10. A study of ZnxZryOz mixed oxides for direct conversion of ethanol...

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

    study of ZnxZryOz mixed oxides for direct conversion of ethanol to isobutene. A study of ZnxZryOz mixed oxides for direct conversion of ethanol to isobutene. Abstract: ZnxZryOz...

  11. Study of nanocomposites based on iron oxides and pectin

    SciTech Connect (OSTI)

    Chistyakova, Nataliya I., E-mail: nchistyakova@yandex.ru; Shapkin, Alexey A., E-mail: nchistyakova@yandex.ru; Sirazhdinov, Ruslan R., E-mail: nchistyakova@yandex.ru; Gubaidulina, Tatiana V., E-mail: nchistyakova@yandex.ru; Kiseleva, Tatiana Yu., E-mail: nchistyakova@yandex.ru; Kazakov, Alexander P., E-mail: nchistyakova@yandex.ru; Rusakov, Vyacheslav S., E-mail: nchistyakova@yandex.ru [M. V. Lomonosov Moscow State University, Faculty of Physics, Leninskie gory, 119991 Moscow (Russian Federation)

    2014-10-27T23:59:59.000Z

    Mössbauer and X-ray diffraction study of nanocomposites based on iron oxides and pectin (PC) was carried out involving magnetization measurements. The concentrations of PC in nanocomposites varied from 0 to 10%. Mössbauer investigations of nanocomposites were carried out in the temperature range from 5 to 300 K. Many-state superparamagnetic relaxation model was used for spectra fitting. The magnetization, M(T,H), was measured in the temperature interval of 80-300 K and magnetic field up to 10 kOe. Formation of the 'iron-polymer' interface was not observed. Particle sizes were estimated using the Mössbauer and X-ray powder diffraction data.

  12. Study on Degradation of Solid Oxide Fuel Cell With Pure Ni Anode Zhenjun Jiaoa

    E-Print Network [OSTI]

    Kasagi, Nobuhide

    Study on Degradation of Solid Oxide Fuel Cell With Pure Ni Anode Zhenjun Jiaoa , Naoki Shikazonoa Solid oxide fuel cell (SOFC) has attracted more and more attentions in the last few decades

  13. Oxidation of Al doped Au clusters: A first principles study

    SciTech Connect (OSTI)

    Rajesh, Chinagandham [RMC, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Majumder, Chiranjib [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2009-06-21T23:59:59.000Z

    Using first principles method we report the oxidation of Al doped Au clusters. This work is divided into two parts: (i) the equilibrium structures and stability of Al doped Au{sub n-1} clusters (n=2-7,21) and (ii) the interaction of O{sub 2} with stable clusters. The calculations are performed using the plane wave pseudopotential approach under the density functional theory and generalized gradient approximation for the exchange and correlation functional. The optimized geometries of Au{sub n-1}Al clusters indicate that the substitution of Au by Al results an early onset of three-dimensional structures from tetramer onwards. This is different from the results of transition metal doped Au clusters, where the planar conformation of Au clusters retains up to heptamer. The stability of Au{sub n-1}Al clusters has been analyzed based on the binding energy, second difference in energy, and the energy gaps between the highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels. Based on the energetics, the Au{sub 3}Al and Au{sub 5}Al clusters are found to have extraordinary stability. The oxidation mechanism of Al doped Au clusters have been studied by the interaction of O{sub 2} with Al, Au, AuAl, Au{sub 3}Al, and Au{sub 20}Al clusters. It is found that the oxidation of Au{sub n-1}Al clusters undergoes via dissociative mechanism, albeit significant charge transfer from Al to Au. Moreover, the O{sub 2} molecule prefers to attach at the Al site rather than at the Au site.

  14. Studies on nickel-tungsten oxide thin films

    SciTech Connect (OSTI)

    Usha, K. S. [Department of Physics, Alagappa University, Karaikudi - 630 004 (India); Sivakumar, R., E-mail: krsivakumar1979@yahoo.com [Directorate of Distance Education, Alagappa University, Karaikudi - 630 004 (India); Sanjeeviraja, C. [Department of Physics, Alagappa Chettiar College of Engineering and Technology, Karaikudi - 630 004 (India)

    2014-10-15T23:59:59.000Z

    Nickel-Tungsten oxide (95:5) thin films were prepared by rf sputtering at 200W rf power with various substrate temperatures. X-ray diffraction study reveals the amorphous nature of films. The substrate temperature induced decrease in energy band gap with a maximum transmittance of 71%1 was observed. The Micro-Raman study shows broad peaks at 560 cm{sup ?1} and 1100 cm{sup ?1} correspond to Ni-O vibration and the peak at 860 cm{sup ?1} can be assigned to the vibration of W-O-W bond. Photoluminescence spectra show two peaks centered on 420 nm and 485 nm corresponding to the band edge emission and vacancies created due to the addition of tungsten, respectively.

  15. Study of lithium diffusion in RF sputtered Nickel/Vanadium mixed oxides thin films

    E-Print Network [OSTI]

    Artuso, Florinda

    Study of lithium diffusion in RF sputtered NickelÁ/Vanadium mixed oxides thin films F. Artuso a lithium insertion inside RF sputtered Ni/V mixed oxides thin films have been investigated employing, showed three steps clearly involved in the intercalation mechanism of lithium in the oxide films: (i

  16. Experimental study of the oxidation of large surrogates for diesel and biodiesel fuels

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Experimental study of the oxidation of large surrogates for diesel and biodiesel fuels Mohammed of the oxidation of two blend surrogates for diesel and biodiesel fuels, n-decane/n-hexadecane and n-alkanes and methyl esters. Keywords: Oxidation; Diesel; Biodiesel; Methyl esters; n-Decane; n-Hexadecane; Methyl

  17. Pyrite oxidation in a minespoil environment: a lysimeter study 

    E-Print Network [OSTI]

    Doolittle, James Joseph

    1986-01-01T23:59:59.000Z

    step involves the release of Fe and S . This +2 0 release could be a simple dissolution of pyrite or the oxidation +2 of pyrite by oxygen. The Fe released is oxidized by oxygen to +3 Fe . Ferric iron can in turn oxidize pyrite to produce more +2 +2... Spoil The pH of anoxic mine overburden is usually neutral to alkaline when it is first exposed as spoil. The first acid producing step in pyrite oxidation is the 02 oxidation of the +2 0 Fe and S released by pyrite dissolution (Nordstrom, 1982...

  18. SOIL QUALITY (SOS 6134) 3 Credits-Fall 2008

    E-Print Network [OSTI]

    Ma, Lena

    ), conduct a literature review based on journal articles, textbook chapters, and/or proceeding papers, and present results of their independent study. REFERENCES: Reference books, journal articles, and related;ACADEMIC HONESTY: As a results of completing the registration form at the University of Florida, every

  19. Soft X-ray Spectroscopy Study of the Electronic Structure of Oxidized and Partially Oxidized Magnetite Nanoparticles

    SciTech Connect (OSTI)

    Gilbert, Benjamin; Katz, Jordan E.; Denlinger, Jonathan D.; Yin, Yadong; Falcone, Roger; Waychunas, Glenn A.

    2010-10-24T23:59:59.000Z

    The crystal structure of magnetite nanoparticles may be transformed to maghemite by complete oxidation, but under many relevant conditions the oxidation is partial, creating a mixed-valence material with structural and electronic properties that are poorly characterized. We used X-ray diffraction, Fe K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, and soft X-ray absorption and emission spectroscopy to characterize the products of oxidizing uncoated and oleic acid-coated magnetite nanoparticles in air. The oxidization of uncoated magnetite nanoparticles creates a material that is structurally and electronically indistinguishable from maghemite. By contrast, while oxidized oleic acid-coated nanoparticles are also structurally indistinguishable from maghemite, Fe L-edge spectroscopy revealed the presence of interior reduced iron sites even after a 2-year period. We used X-ray emission spectroscopy at the O K-edge to study the valence bands (VB) of the iron oxide nanoparticles, using resonant excitation to remove the contributions from oxygen atoms in the ligands and from low-energy excitations that obscured the VB edge. The bonding in all nanoparticles was typical of maghemite, with no detectable VB states introduced by the long-lived, reduced-iron sites in the oleic acid-coated sample. However, O K-edge absorption spectroscopy observed a 0.2 eV shift in the position of the lowest unoccupied states in the coated sample, indicating an increase in the semiconductor band gap relative to bulk stoichiometric maghemite that was also observed by optical absorption spectroscopy. The results show that the ferrous iron sites within ferric iron oxide nanoparticles coated by an organic ligand can persist under ambient conditions with no evidence of a distinct interior phase and can exert an effect on the global electronic and optical properties of the material. This phenomenon resembles the band gap enlargement caused by electron accumulation in the conduction band of TiO2.

  20. Theoretical kinetic study of the low temperature oxidation of ethanol

    E-Print Network [OSTI]

    Fournet, René; Bounaceur, Roda; Molière, Michel

    2009-01-01T23:59:59.000Z

    In order to improve the understanding of the low temperature combustion of ethanol, high-level ab initio calculations were performed for elementary reactions involving hydroxyethylperoxy radicals. These radicals come from the addition of hydroxethyl radicals (?CH3CHOH and ?CH2CH2OH) on oxygen molecule. Unimolecular reactions involving hydroxyethylperoxy radicals and their radical products were studied at the CBS-QB3 level of theory. The results allowed to highlight the principal ways of decomposition of these radicals. Calculations of potential energy surfaces showed that the principal channels lead to the formation of HO2 radicals which can be considered, at low temperature, as slightly reactive. However, in the case of CH3CH(OOH)O? radicals, a route of decomposition yields H atom and formic peracid, which is a branching agent that can strongly enhance the reactivity of ethanol in low temperature oxidation. In addition to these analyses, high-pressure limit rate constants were derived in the temperature rang...

  1. Synthesis and study of frustrated oxide and mixed anion materials 

    E-Print Network [OSTI]

    Clark, Lucy

    2013-11-28T23:59:59.000Z

    Mixed anion systems, such as oxynitrides and oxyfluorides, are an emerging class of interesting materials. The lower stability of mixed anion systems in comparison to oxide materials has had the consequence that this ...

  2. Influence of Ionic Surfactants on the Aggregation of Poly(Ethylene Oxide)-Poly(Propylene Oxide)-Poly(Ethylene Oxide) Block Copolymers Studied by Differential Scanning and

    E-Print Network [OSTI]

    Loh, Watson

    Influence of Ionic Surfactants on the Aggregation of Poly(Ethylene Oxide)-Poly(Propylene Oxide copolymers of poly(ethylene oxide) and poly(propylene oxide), EOnPOmEOn, and the ionic surfactants sodium the aggregates of all three polymers. Introduction Water-soluble poly(ethylene oxide)-poly(propylene oxide)- poly

  3. Development studies for a novel wet oxidation process

    SciTech Connect (OSTI)

    Dhooge, P.M.; Hakim, L.B.

    1994-01-01T23:59:59.000Z

    A catalytic wet oxidation process (DETOX), which uses an acidic iron solution to oxidize organic compounds to carbon dioxide, water, and other simple products, was investigated as a potential method for the treatment of multicomponent hazardous and mixed wastes. The organic compounds picric acid, poly(vinyl chloride), tetrachlorothiophene, pentachloropyridine, Aroclor 1260 (a polychlorinated biphenyl), and hexachlorobenzene were oxidized in 125 ml reaction vessels. The metals arsenic, barium, beryllium, cadmium, cerium (as a surrogate for plutonium), chromium, lead, mercury, neodymium (as a surrogate for uranium), nickel, and vanadium were tested in the DETOX solution. Barium, beryllium, cerium, chromium, mercury, neodymium, nickel, and vanadium were all found to be very soluble (>100 g/l) in the DETOX chloride-based solution. Arsenic, barium, cadmium, and lead solubilities were lower. Lead could be selectively precipitated from the DETOX solution. Chromium(VI) was reduced to relatively non-toxic chromium(III) by the solution. Six soils were contaminated with arsenic, barium, beryllium, chromium, lead, and neodymium oxides at approximately 0.1% by weight, and benzene, trichloroethene, mineral oil, and Aroclor 1260 at approximately 5% by weight total, and 5.g amounts treated with the DETOX solution in unstirred 125. ml reaction bombs. It is felt that soil treatment in a properly designed system is entirely possible despite incomplete oxidation of the less volatile organic materials in these unstirred tests.

  4. Photoemission spectroscopy study of the lanthanum lutetium oxide/silicon interface

    SciTech Connect (OSTI)

    Nichau, A.; Schnee, M.; Schubert, J.; Bernardy, P.; Hollaender, B.; Buca, D.; Mantl, S. [Peter Gruenberg Institute 9 (PGI9-IT), Forschungszentrum Juelich, 52425 Juelich (Germany); JARA-Fundamentals of Future Information Technologies, 52425 Juelich (Germany); Besmehn, A.; Breuer, U. [Central Division for Chemical Analysis (ZCH), Forschungszentrum Juelich, 52425 Juelich (Germany); Rubio-Zuazo, J.; Castro, G. R. [Spanish CRG BM25 Beamline-SpLine, European Synchrotron Radiation Facility (ESRF), Rue Jules Horowitz BP 220, F-38043 Grenoble, Cedex 09 (France); Muecklich, A.; Borany, J. von [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum' Dresden-Rossendorf e.V., 01314 Dresden (Germany)

    2013-04-21T23:59:59.000Z

    Rare earth oxides are promising candidates for future integration into nano-electronics. A key property of these oxides is their ability to form silicates in order to replace the interfacial layer in Si-based complementary metal-oxide field effect transistors. In this work a detailed study of lanthanum lutetium oxide based gate stacks is presented. Special attention is given to the silicate formation at temperatures typical for CMOS processing. The experimental analysis is based on hard x-ray photoemission spectroscopy complemented by standard laboratory experiments as Rutherford backscattering spectrometry and high-resolution transmission electron microscopy. Homogenously distributed La silicate and Lu silicate at the Si interface are proven to form already during gate oxide deposition. During the thermal treatment Si atoms diffuse through the oxide layer towards the TiN metal gate. This mechanism is identified to be promoted via Lu-O bonds, whereby the diffusion of La was found to be less important.

  5. Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported on MCM-48

    E-Print Network [OSTI]

    Bell, Alexis T.

    Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported-1462 ReceiVed: August 16, 2006; In Final Form: October 10, 2006 The mechanism of methanol oxidation. Methanol reacts reversibly, at a ratio of approximately 1 methanol per V, with one V-O-Si to produce both V

  6. JOIJKUAL I)E I'HYSIQUE Diffusion study of oxygen implanted in nickel oxide

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    JOIJKUAL I)E I'HYSIQUE Diffusion study of oxygen implanted in nickel oxide M. Meyer, S. Barbezat, C coefficients d'autodiffusion de I'oxygene dans l'oxyde de nickel, mesurkes rkemment, par Cchange isotopique implanted in nickel oxide; the experiments are carried out by annealing between 1 300 and 1 500 OC nickel

  7. Structure study on electrochromic films of nickel oxide

    SciTech Connect (OSTI)

    Hu Xingfang; Chen Xiaofeng; Song Xiangyun [Chinese Academy of Sciences, Shanghai (China). Shanghai Inst. of Ceramics

    1993-12-31T23:59:59.000Z

    Using HREM, the relationship between structure and electrochromic properties of rf diode sputtered nickel oxide films with good and poor electrochromic performance has been investigated. The experimental results indicate that all kinds of the films consist of cubic nickel oxide with nano-crystal structure. For the films having good electrochromic properties, the grain size ranges about 5--10 nm. In the films exhibiting poor performance, an amorphous phase of nickel oxide as a continuous phase existing in the film has been observed and the cubic nickel oxide grains appear as isolated islands existing in the amorphous phase. From the structural features of the films, it may be concluded that the grain boundary of nano-polycrystalline structure plays an important role in the electrochromic reaction and the grain boundary would act as channel for the injection and extraction of alkali metal ions and electrons during the coloring and bleaching process. So, it is important to control the structure of films in the deposition process to prepare the film with good electrochromic performance.

  8. Capacitance studies of cobalt oxide films formed via electrochemical precipitation

    E-Print Network [OSTI]

    Weidner, John W.

    prepared by electrochemically precipitating the hydroxide and heating it in air to form Co3O4 the need to identify more suitable materials. One promising route is the use of transi- tion metal oxides to batteries, are referred to as Faradaic or pseudocapacitors. However, the high cost of these materials has

  9. Fundamental study on recovery uranium oxide from HEPA filters

    SciTech Connect (OSTI)

    Izumida, T. [Hitachi Ltd., Ibaraki (Japan). Hitachi Works; Matsumoto, H.; Tsuchiya, H.; Iba, H. [Hitachi Nuclear Engineering Co., Ltd., Ibaraki (Japan); Noguchi, Y. [Radioactive Waste Management Center, Tokyo (Japan)

    1993-12-31T23:59:59.000Z

    Large numbers of spent HEPA filters are produced at uranium fuel fabrication facilities. Uranium oxide particles have been collected on these filters. Then, a spent HEPA filter treatment system was developed from the viewpoint of recovering the UO{sub 2} and minimizing the volume. The system consists of a mechanical separation process and a chemical dissolution process. This paper describes the results of fundamental experiments on recovering UO{sub 2} from HEPA filters.

  10. Femtosecond pump-probe studies of reduced graphene oxide thin films

    E-Print Network [OSTI]

    Ruzicka, Brian Andrew; Werake, Lalani Kumari; Zhao, Hui; Wang, Shuai; Loh, Kian Ping

    2010-04-01T23:59:59.000Z

    The dynamics of photocarriers in reduced graphene oxide thin films is studied by using ultrafast pump-probe spectroscopy. Time dependent differential transmissions are measured with sample temperatures ranging from 9 to 300 K. At each sample...

  11. Solid-State NMR Spectroscopic Study of Phosphate Sorption Mechanisms on Aluminum (Hydr)oxides

    E-Print Network [OSTI]

    Sparks, Donald L.

    Solid-State NMR Spectroscopic Study of Phosphate Sorption Mechanisms on Aluminum (Hydr)oxides Wei the mechanism of phosphate sorption on aluminum hydroxides under different environ- mental conditions, including

  12. SOS8520 Organizational perspectives on safety conference of The Society for Risk Analysis Europe (SRAE) will be held June 17th

    E-Print Network [OSTI]

    Malinnikova, Eugenia

    SOS8520 Organizational perspectives on safety The 22nd conference of The Society for Risk Analysis (June 20th ­ 21st ) focusing on Organizational perspectives on safety The primary target group

  13. Photoelectron spectroscopic study of the cleaned, thermally treated and oxidized Zr??Ni?? amorphaus alloy

    E-Print Network [OSTI]

    Liang, Guiping

    1987-01-01T23:59:59.000Z

    PHOTOELECTRON SPECTROSCOPIC STUDY OF THE CLEANED, THERMALLY TREATED AND OXIDIZED ZrssNi34 AMORPHOUS ALLOY A Thesis by GUIPING LIANG Submitted to the Graduate College of Texas A & 51 University in partial fulfillment of the requirement... for the degree of MASTER OF SCIENCE May 1987 Major Subject: Physics PHOTOELECTRON SPECTROSCOPIC STUDY OF THE CLEANED, THERMALLY TREATED AND OXIDIZED ZrssNi34 AMORPHOUS ALLOY A Thesis by GUIPING LIANG Approved as to style and content by: Donald G...

  14. Structure of crystalline oxide ceramics studied by phonon spectroscopy

    SciTech Connect (OSTI)

    Kaminskii, Alexandr A; Taranov, A V; Khazanov, E N

    2013-03-31T23:59:59.000Z

    This paper describes a method for gaining detailed insight into the structure and phonon spectrum of polycrystalline oxide ceramics. We examine how the diffusion coefficient of subterahertz phonons is related to the properties of a system of grain boundaries and to the grain size and structure and demonstrate that the temperature dependence of the phonon diffusion coefficient at liquid-helium temperatures is determined by the spectral properties of the intergranular layer, which allows one to estimate the volumeaveraged intergranular layer thickness and acoustic impedance. We also analyse the effect of plastic deformation via twinning on the formation of the structure of grains and intergranular layers, which determine the thermophysical, acoustic and optical properties of ceramic materials. (extreme light fields and their applications)

  15. Development studies for a novel wet oxidation process. Phase 2

    SciTech Connect (OSTI)

    NONE

    1994-07-01T23:59:59.000Z

    DETOX{sup SM} is a catalyzed wet oxidation process which destroys organic materials in an acidic water solution of iron at 373 to 473 K. The solution can be used repeatedly to destroy great amounts of organic materials. Since the process is conducted in a contained vessel, air emissions from the process can be well controlled. The solution is also capable of dissolving and concentrating many heavy and radioactive metals for eventual stabilization and disposal. The Phase 2 effort for this project is site selection and engineering design for a DETOX demonstration unit. Site selection was made using a set of site selection criteria and evaluation factors. A survey of mixed wastes at DOE sites was conducted using the Interim Mixed Waste Inventory Report. Sites with likely suitable waste types were identified. Potential demonstration sites were ranked based on waste types, interest, regulatory needs, scheduling, ability to provide support, and available facilities. Engineering design for the demonstration unit is in progress and is being performed by Jacobs Applied Technology. The engineering design proceeded through preliminary process flow diagrams (PFDs), calculation of mass and energy balances for representative waste types, process and instrumentation diagrams (P and IDs), preparation of component specifications, and a firm cost estimate for fabrication of the demonstration unit.

  16. Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

    SciTech Connect (OSTI)

    Dabhi, Shweta D. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001 (India); Gupta, Sanjay D. [V. B. Institute of Science, Department of Physics, C. U. Shah University, Wadhwan City - 363030, Surendranagar (India); Jha, Prafulla K., E-mail: prafullaj@yahoo.com [Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara-390002 (India)

    2014-05-28T23:59:59.000Z

    We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

  17. indirect study, coal was oxidatively de-graded with sodium dichromate and the

    E-Print Network [OSTI]

    Howat, Ian M.

    indirect study, coal was oxidatively de- graded with sodium dichromate and the esterified products- vestigators concluded (17, p. 380) that "thiophene derivatives must be indige- nous to coal." The direct XANES conmpounds yielded spectra that bore little resemblance to the coal spec- trum. For example, simulations

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

    E-Print Network [OSTI]

    Stillinger, Frank

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

  19. Reactions of Polycarbonate with Cyclohexene Oxide and Phosphites: A Density Functional Study

    E-Print Network [OSTI]

    Reactions of Polycarbonate with Cyclohexene Oxide and Phosphites: A Density Functional Study J bisphenol A polycarbonate (BPA-PC). We describe density functional (DF) calculations of the reactions to organic molecules and polymers, focusing on bisphenol A polycarbonate (BPA-PC). BPA-PC is an important

  20. Laser Ablation Synthesis and Electron Transport Studies of Tin Oxide Nanowires**

    E-Print Network [OSTI]

    Zhou, Chongwu

    and solar cells.[7±9] In addition, SnO2 thin films have been extensively studied and used as chemical-dimensional metal oxide nanowires, such as In2O3,[1] ZnO,[2] SnO2,[3] CdO,[4] and CuO[5] nanowires, have attracted

  1. A Preliminary Study of Oxidation of Lignin from Rubber Wood to Vanillin in Ionic Liquid Medium

    E-Print Network [OSTI]

    Shamsuri, A A

    2013-01-01T23:59:59.000Z

    In this study, lignin was oxidised to vanillin by means of oxygen in ionic liquid (1,3-dimethylimidazolium methylsulphate) medium. The parameters of the oxidation reaction that have been investigated were the following: concentration of oxygen (5, 10, 15 and 20 ft3 h-1), reaction time (2, 4, 6, 8 and 10 h) and reaction temperature (25, 40, 60, 80 and 100{\\deg}C). The Fourier transform infrared spectroscopy, high performance liquid chromatography and ultraviolet-visible analyses were used to characterise the product. The results revealed vanillin as the product obtained via the oxidation reaction. The optimum parameters of vanillin production were 20 ft3 h-1 of oxygen for 10 h at 100{\\deg}C. In conclusion, 1,3-dimethylimidazolium methylsulphate could be used as an oxidation reaction medium for the production of vanillin from rubber wood lignin.

  2. Longitudinal study of children exposed to sulfur oxides

    SciTech Connect (OSTI)

    Dodge, R.; Solomon, P.; Moyers, J.; Hayes, C.

    1985-05-01T23:59:59.000Z

    This study is a longitudinal comparison of the health of children exposed to markedly different concentrations of sulfur dioxide and moderately different concentrations of particulate sulfate. The four groups of subjects lived in two areas of one smelter town and in two other towns, one of which was also a smelter town. In the area of highest pollution, children were intermittently exposed to high SO/sub 2/ levels (peak three-hour average concentration exceeded 2,500 micrograms/m3) and moderate particulate SO/sub 4/= levels (average concentration was 10.1 micrograms/m3). When the children were grouped by the four gradients of pollution observed, the prevalence of cough (measured by questionnaire) correlated significantly with pollution levels (trend chi-square = 5.6, p = 0.02). No significant differences in the incidence of cough or other symptoms occurred among the groups of subjects over three years, and pulmonary function and lung function growth over the study were roughly equal among all the groups. These results suggest that intermittent elevations in SO/sub 2/ concentration, in the presence of moderate particulate SO/sub 4/= concentration, produced evidence of bronchial irritation in the subjects, but no chronic effect on lung function or lung function growth was detected.

  3. Transgenic evaluation of activated mutant alleles of SOS2 reveals a critical requirement for its kinase activity and C-terminal regulatory domain for salt tolerance in Arabidopsis thaliana

    DOE Patents [OSTI]

    Zhu, Jian-Kang (Riverside, CA); Quintero-Toscano, Francisco Javier (Sevilla, ES); Pardo-Prieto, Jose Manuel (Sevilla, ES); Qiu, Quansheng (Urbana, IL); Schumaker, Karen Sue (Tucson, AZ); Ohta, Masaru (Tsukuba, JP); Zhang, Changqing (Tucson, AZ); Guo, Yan (Beijing, CN)

    2007-09-04T23:59:59.000Z

    The present invention provides a method of increasing salt tolerance in a plant by overexpressing a gene encoding a mutant SOS2 protein in at least one cell type in the plant. The present invention also provides for transgenic plants expressing the mutant SOS2 proteins.

  4. Fundamental Studies of the Durability of Materials for Interconnects in Solid Oxide Fuel Cells

    SciTech Connect (OSTI)

    Frederick S. Pettit; Gerald H. Meier

    2006-06-30T23:59:59.000Z

    Ferritic stainless steels are a leading candidate material for use as an SOFC interconnect, but have the problem of forming volatile chromia species that lead to cathode poisoning. This project has focused both on optimization of ferritic alloys for SOFC applications and evaluating the possibility of using alternative materials. The initial efforts involved studying the oxidation behavior of a variety of chromia-forming ferritic stainless steels in the temperature range 700-900 C in atmospheres relevant to solid oxide fuel cell operation. The alloys exhibited a wide variety of oxidation behavior based on composition. A method for reducing the vaporization is to add alloying elements that lead to the formation of a thermally grown oxide layer over the protective chromia. Several commercial steels form manganese chromate on the surface. This same approach, combined with observations of TiO{sub 2} overlayer formation on the chromia forming, Ni-based superalloy IN 738, has resulted in the development of a series of Fe-22 Cr-X Ti alloys (X=0-4 wt%). Oxidation testing has indicated that this approach results in significant reduction in chromia evaporation. Unfortunately, the Ti also results in accelerated chromia scale growth. Fundamental thermo-mechanical aspects of the durability of solid oxide fuel cell (SOFC) interconnect alloys have also been investigated. A key failure mechanism for interconnects is the spallation of the chromia scale that forms on the alloy, as it is exposed to fuel cell environments. Indentation testing methods to measure the critical energy release rate (Gc) associated with the spallation of chromia scale/alloy systems have been evaluated. This approach has been used to evaluate the thermomechanical stability of chromia films as a function of oxidation exposure. The oxidation of pure nickel in SOFC environments was evaluated using thermogravimetric analysis (TGA) to determine the NiO scaling kinetics and a four-point probe was used to measure the area-specific resistance (ASR) to estimate the electrical degradation of the interconnect. In addition to the baseline study of pure nickel, steps were taken to decrease the ASR through alloying and surface modifications. Finally, high conductivity composite systems, consisting of nickel and silver, were studied. These systems utilize high conductivity silver pathways through nickel while maintaining the mechanical stability that a nickel matrix provides.

  5. Oxidized GaN(0001) Surfaces studied by Scanning Tunneling Microscopy and Spectroscopy and by First-Principles Theory

    E-Print Network [OSTI]

    Feenstra, Randall

    1 Oxidized GaN(0001) Surfaces studied by Scanning Tunneling Microscopy and Spectroscopy Abstract Oxidized Ga-polar GaN surfaces have been studied both experimentally and theoretically. For in tunneling spectroscopy revealed a surface band gap with size close to that of GaN, indicating that any

  6. Schedule optimization study implementation plan

    SciTech Connect (OSTI)

    Not Available

    1993-11-01T23:59:59.000Z

    This Implementation Plan is intended to provide a basis for improvements in the conduct of the Environmental Restoration (ER) Program at Hanford. The Plan is based on the findings of the Schedule Optimization Study (SOS) team which was convened for two weeks in September 1992 at the request of the U.S. Department of Energy (DOE) Richland Operations Office (RL). The need for the study arose out of a schedule dispute regarding the submission of the 1100-EM-1 Operable Unit (OU) Remedial Investigation/Feasibility Study (RI/FS) Work Plan. The SOS team was comprised of independent professionals from other federal agencies and the private sector experienced in environmental restoration within the federal system. The objective of the team was to examine reasons for the lengthy RI/FS process and recommend ways to expedite it. The SOS team issued their Final Report in December 1992. The report found the most serious impediments to cleanup relate to a series of management and policy issues which are within the control of the three parties managing and monitoring Hanford -- the DOE, U.S. Environmental Protection Agency (EPA), and the State of Washington Department of Ecology (Ecology). The SOS Report identified the following eight cross-cutting issues as the root of major impediments to the Hanford Site cleanup. Each of these eight issues is quoted from the SOS Report followed by a brief, general description of the proposed approach being developed.

  7. Uranium Immobilization through Fe(II) bio-oxidation: A Column study

    SciTech Connect (OSTI)

    Coates, John D.

    2009-09-14T23:59:59.000Z

    Current research on the bioremediation of heavy metals and radionuclides is focused on the ability of reducing organisms to use these metals as alternative electron acceptors in the absence of oxygen and thus precipitate them out of solution. However, many aspects of this proposed scheme need to be resolved, not the least of which is the time frame of the treatment process. Once treatment is complete and the electron donor addition is halted, the system will ultimately revert back to an oxic state and potentially result in the abiotic reoxidation and remobilization of the immobilized metals. In addition, the possibility exists that the presence of more electropositive electron acceptors such as nitrate or oxygen will also stimulate the biological oxidation and remobilization of these contaminants. The selective nitrate-dependent biooxidation of added Fe(II) may offer an effective means of “capping off” and completing the attenuation of these contaminants in a reducing environment making the contaminants less accessible to abiotic and biotic reactions and allowing the system to naturally revert to an oxic state. Our previous DOE-NABIR funded studies demonstrated that radionuclides such as uranium and cobalt are rapidly removed from solution during the biogenic formation of Fe(III)-oxides. In the case of uranium, X-ray spectroscopy analysis indicated that the uranium was in the hexavalent form (normally soluble) and was bound to the precipitated Fe(III)-oxides thus demonstrating the bioremediative potential of this process. We also demonstrated that nitrate-dependent Fe(II)- oxidizing bacteria are prevalent in the sediment and groundwater samples collected from sites 1 and 2 and the background site of the NABIR FRC in Oakridge, TN. However, all of these studies were performed in batch experiments in the laboratory with pure cultures and although a significant amount was learned about the microbiology of nitrate-dependent bio-oxidation of Fe(II), the effects of complex processes (such as advective flow) present in the natural environment are unknown. The objective of the current studies was to address some of these short-comings in an attempt to develop this bioremediative strategy into a robust, field applicable technology. This objective was approached by both pure culture studies investigating the mechanism of Fe(II) oxidation by nitrate reducing bacteria and examining the flow dynamics and microbial processes in advective flow columns amended with Fe(II) and nitrate over an extended period.

  8. Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported on High Surface Area Anatase

    E-Print Network [OSTI]

    Bell, Alexis T.

    Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported for methanol oxidation on both TiO2 and V/TiO2 was investigated using temperature- programmed experiments/TiO2 sample consists predominantly of isolated VO4 units after calcination. Methanol was found

  9. Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported on High Surface Area Zirconia

    E-Print Network [OSTI]

    Bell, Alexis T.

    Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported, California 94720-1462 ReceiVed: NoVember 20, 2007; In Final Form: February 6, 2008 The oxidation of methanol that the vanadium is present as isolated VO4 units in a distorted tetrahedral geometry. Methanol was found to adsorb

  10. [Fundamental studies in oxidation-reduction in relation to water photolysis]. Progress report, June 26, 1989--November 1, 1990

    SciTech Connect (OSTI)

    Hurst, J.K.

    1990-12-31T23:59:59.000Z

    Objective is to solve problems in photoredox catalysis pertinent to developing membrane-base photoconversion/photostorage systems. The research is divided into: Physical studies (light scattering) on viologen-doped vesicles, transmembrane oxidation-reduction mechanisms, interfacial charge recombination, water oxidation catalysts.

  11. First-Principles Statistical Mechanics Study of the Stability of a Subnanometer Thin Surface Oxide in Reactive Environments: CO Oxidation at Pd(100)

    E-Print Network [OSTI]

    First-Principles Statistical Mechanics Study of the Stability of a Subnanometer Thin Surface Oxide) model catalyst as an example. For this system, in situ reactor scanning tunneling microscopy (STM with a notable increase in the catalytic activity [5]. The first-principles statistical mechanics calculations

  12. An x-ray absorption near-edge spectroscopy study of the oxidation state of chromium in electrodeposited oxide films.

    SciTech Connect (OSTI)

    Balasubramanian, M.; Melendres, C. A.; Chemical Engineering

    1999-01-01T23:59:59.000Z

    The oxidation state of chromium incorporated into simulated corrosion films of nickel has been investigated using the technique of 'in situ' X-ray Absorption Near-Edge Spectroscopy (XANES). The films were prepared by electrochemical deposition of the appropriate oxide (hydroxide) onto a graphite substrate. Cathodic deposition from a 0.01 M Cr(NO{sub 3}){sub 3} solution at constant current results in a Cr{sup 3+} oxide (hydroxide) film. Deposition from a 0.01 M K{sub 2}CrO{sub 4} solution produces a film which is predominantly Cr{sup 3+} but with some Cr{sup 6+}. This material is air-sensitive and the ratio of Cr{sup 6+} to Cr{sup 3+} increases with time of exposure to ambient. Cathodic codeposition of Cr{sup 3+} with nickel hydroxide from Cr(NO{sub 3}){sub 3} solution results in a film with chromium in the 3+ oxidation state. On the other hand, cathodic codeposition from a Cr{sup 6+} solution of K{sub 2}CrO{sub 4} with nickel hydroxide leads to a film containing Cr{sup 6+}.

  13. Chemisorption and anodic oxidation of aromatic molecules on Pd electrode surfaces: studies by UHV-EC-STM 

    E-Print Network [OSTI]

    Chen, Xiaole

    2006-04-12T23:59:59.000Z

    The chemisorption and anodic oxidation of hydroquinone (H2Q) and benzoquinone (BQ) at palladium electrode surfaces was studied by a combination of electrochemistry (EC), Auger electron spectroscopy (AES), ...

  14. Chemisorption and anodic oxidation of aromatic molecules on Pd electrode surfaces: studies by UHV-EC-STM

    E-Print Network [OSTI]

    Chen, Xiaole

    2006-04-12T23:59:59.000Z

    The chemisorption and anodic oxidation of hydroquinone (H2Q) and benzoquinone (BQ) at palladium electrode surfaces was studied by a combination of electrochemistry (EC), Auger electron spectroscopy (AES), high-resolution electron...

  15. Surface and interfacial reaction study of InAs(100)-crystalline oxide interface

    SciTech Connect (OSTI)

    Zhernokletov, D. M. [Department of Physics, University of Texas at Dallas, Richardson, Texas 75080 (United States)] [Department of Physics, University of Texas at Dallas, Richardson, Texas 75080 (United States); Laukkanen, P. [Department of Physics and Astronomy, University of Turku, Turku FI-20014 (Finland)] [Department of Physics and Astronomy, University of Turku, Turku FI-20014 (Finland); Dong, H.; Brennan, B.; Kim, J. [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States)] [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States); Galatage, R. V. [Department of Electrical Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States)] [Department of Electrical Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States); Yakimov, M.; Tokranov, V.; Oktyabrsky, S. [College of Nanoscale Science and Engineering, University at Albany-SUNY, Albany, New York 12203 (United States)] [College of Nanoscale Science and Engineering, University at Albany-SUNY, Albany, New York 12203 (United States); Wallace, R. M. [Department of Physics, University of Texas at Dallas, Richardson, Texas 75080 (United States) [Department of Physics, University of Texas at Dallas, Richardson, Texas 75080 (United States); Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States)

    2013-05-27T23:59:59.000Z

    A crystalline oxide film on InAs(100) is investigated with in situ monochromatic x-ray photoelectron spectroscopy and low energy electron diffraction before and after in situ deposition of Al{sub 2}O{sub 3} by atomic layer deposition (ALD) as well as upon air exposure. The oxidation process leads to arsenic and indium trivalent oxidation state formation. The grown epitaxial oxide-InAs interface is stable upon ALD reactor exposure; however, trimethyl aluminum decreases oxidation states resulting in an unreconstructed surface. An increase in oxide concentration is also observed upon air exposure suggesting the crystalline oxide surface is unstable.

  16. Nickel based anodes for single chamber solid oxide fuel cells : a catalytic study Geoffroy Gadacz, Sorina Udroiu, Jean-Paul Viricelle, Christophe Pijolat, Michle Pijolat

    E-Print Network [OSTI]

    Boyer, Edmond

    Nickel based anodes for single chamber solid oxide fuel cells : a catalytic study Geoffroy Gadacz Single chamber solid oxide fuel cells (SCFC) are an alternative concept to traditional SOFC

  17. Fundamental Study of the Oxidation Characteristics and Pollutant Emissions of Model Biodiesel Fuels

    SciTech Connect (OSTI)

    Feng, Q.; Wang, Y. L.; Egolfopoulos, Fokion N.; Tsotsis, T. T.

    2010-01-01T23:59:59.000Z

    In this study, the oxidation characteristics of biodiesel fuels are investigated with the goal of contributing toward the fundamental understanding of their combustion characteristics and evaluating the effect of using these alternative fuels on engine performance as well as on the environment. The focus of the study is on pure fatty acid methyl-esters (FAME,) that can serve as surrogate compounds for real biodiesels. The experiments are conducted in the stagnation-flow configuration, which allows for the systematic evaluation of fundamental combustion and emission characteristics. In this paper, the focus is primarily on the pollutant emission characteristics of two C{sub 4} FAMEs, namely, methyl-butanoate and methyl-crotonate, whose behavior is compared with that of n-butane and n-pentane. To provide insight into the mechanisms of pollutant formation for these fuels, the experimental data are compared with computed results using a model with consistent C{sub 1}?C{sub 4} oxidation and NO{sub x} formation kinetics.

  18. Cost Study for Manufacturing of Solid Oxide Fuel Cell Power Systems

    SciTech Connect (OSTI)

    Weimar, Mark R.; Chick, Lawrence A.; Gotthold, David W.; Whyatt, Greg A.

    2013-09-30T23:59:59.000Z

    Solid oxide fuel cell (SOFC) power systems can be designed to produce electricity from fossil fuels at extremely high net efficiencies, approaching 70%. However, in order to penetrate commercial markets to an extent that significantly impacts world fuel consumption, their cost will need to be competitive with alternative generating systems, such as gas turbines. This report discusses a cost model developed at PNNL to estimate the manufacturing cost of SOFC power systems sized for ground-based distributed generation. The power system design was developed at PNNL in a study on the feasibility of using SOFC power systems on more electric aircraft to replace the main engine-mounted electrical generators [Whyatt and Chick, 2012]. We chose to study that design because the projected efficiency was high (70%) and the generating capacity was suitable for ground-based distributed generation (270 kW).

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

    SciTech Connect (OSTI)

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

    2013-12-15T23:59:59.000Z

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

  20. Electrochemical and spectroscopic studies of some less stable oxidation states of selected lanthanide and actinide elements

    SciTech Connect (OSTI)

    Hobart, D. E.

    1981-06-01T23:59:59.000Z

    Simultaneous observation of electrochemical and spectroscopic properties (spectroelectrochemistry) at optically transparent electrodes (OTE's) was used to study some less stable oxidation states of selected lanthanide and actinide elements. Cyclic voltammetry at microelectrodes was used in conjunction with spectroelectrochemistry for the study of redox couples. Additional analytical techniques were used. The formal reduction potential (E/sup 0/') values of the M(III)/M(II) redox couples in 1 M KCl at pH 6 were -0.34 +- 0.01 V for Eu, -1.18 +- 0.01 V for Yb, and -1.50 +- 0.01 V for Sm. Spectropotentiostatic determination of E/sup 0/' for the Eu(III)/Eu(II) redox couple yielded a value of -0.391 +- 0.005 V. Spectropotentiostatic measurement of the Ce(IV)/Ce(III) redox couple in concentrated carbonate solution gave E/sup 0/' equal to 0.051 +- 0.005 V, which is about 1.7 V less positive than the E/sup 0/' value in noncomplexing solution. This same difference in potential was observed for the E/sup 0/' values of the Pr(IV)/Pr(III) and Tb(IV)/Tb(III) redox couples in carbonate solution, and thus Pr(IV) and Tb(IV) were stabilized in this medium. The U(VI)/U(V)/U(IV) and U(IV)/U(III) redox couples were studied in 1 M KCl at OTE's. Spectropotentiostatic measurement of the Np(VI)/Np(V) redox couple in 1 M HClO/sub 4/ gave an E/sup 0/' value of 1.140 +- 0.005 V. An E/sup 0/' value of 0.46 +- 0.01 V for the Np(VII)/Np(VI) couple was found by voltammetry. Oxidation of Am(III) was studied in concentrated carbonate solution, and a reversible cyclic voltammogram for the Am(IV)/Am(III) couple yielded E/sup 0/' = 0.92 +- 0.01 V in this medium; this value was used to estimate the standard reduction potential (E/sup 0/) of the couple as 2.62 +- 0.01 V. Attempts to oxidize Cm(III) in concentrated carbonate solution were not successful which suggests that the predicted E/sup 0/ value for the Cm(IV)/Cm(III) redox couple may be in error.

  1. Microstructural study of oxidation of Blackglas{trademark} matrix-Nextel{trademark} 312 CFCC composites

    SciTech Connect (OSTI)

    McNallan, M.J.; Park, Y.S. [Univ. of Illinois, Chicago, IL (United States); Campbell, S. [AlliedSignal Research Center, Des Plains, IL (United States)

    1996-12-31T23:59:59.000Z

    Blackglas{trademark} matrix Nextel{trademark} 312 fiber reinforced bend bar coupons have been subjected to long term oxidation tests in air at temperatures between 500{degrees}C and 700{degrees}C. The oxidation produces a reduction in mass and changes in mechanical properties. Oxidation of the Blackglas{trademark} matrix can also be observed microscopically in cross sections of oxidized specimens. The microstructures of the oxidized Blackglas{trademark} coupons are reported and are correlated with the mechanical property changes.

  2. Lithium-decorated oxidized graphyne for hydrogen storage by first principles study

    SciTech Connect (OSTI)

    Yan, Zeyu; Wang, Lang; Cheng, Julong; Huang, Libei; Zhu, Chao; Chen, Chi; Miao, Ling, E-mail: miaoling@mail.hust.edu.cn; Jiang, Jianjun [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)

    2014-11-07T23:59:59.000Z

    The geometric stability and hydrogen storage capacity of Li decorated oxidized ?-graphyne are studied based on the first-principles calculations. It is found that oxygen atoms trend to bond with acetylenic carbons and form C=O double bonds on both sides of graphyne. The binding energy of single Li atom on oxidized graphyne is 3.29?eV, owning to the strong interaction between Li atom and O atom. Meanwhile, the dispersion of Li is stable even under a relatively high density. One attached Li atom can at least adsorb six hydrogen molecules around. Benefitting from the porous structure of graphyne and the high attached Li density, a maximum hydrogen storage density 12.03?wt. % is achieved with four Li atoms in graphyne cell. The corresponding average binding energy is 0.24?eV/H{sub 2}, which is suitable for reversible storage. These results indicate that Li decorated graphyne can serve as a promising hydrogen storage material.

  3. Modeling and Experimental Studies of Mercury Oxidation and Adsorption in a Fixed-Bed Reactor

    SciTech Connect (OSTI)

    Paula A. Buitrago, Mike Morrill, JoAnn S. Lighty, Geoffrey D.; Silcox,

    2009-06-15T23:59:59.000Z

    This report presents experimental and modeling mercury oxidation and adsorption data. Fixed-bed and single-particle models of mercury adsorption were developed. The experimental data were obtained with two reactors: a 300- W, methane-fired, tubular, quartz-lined reactor for studying homogeneous oxidation reactions and a fixed-bed reactor, also of quartz, for studying heterogeneous reactions. The latter was attached to the exit of the former to provide realistic combustion gases. The fixed-bed reactor contained one gram of coconut-shell carbon and remained at a temperature of 150oC. All methane, air, SO2, and halogen species were introduced through the burner to produce a radical pool representative of real combustion systems. A Tekran 2537A Analyzer coupled with a wet conditioning system provided speciated mercury concentrations. At 150°C and in the absence of HCl or HBr, the mercury uptake was about 20%. The addition of 50 ppm HCl caused complete capture of all elemental and oxidized mercury species. In the absence of halogens, SO2 increased the mercury adsorption efficiency to up to 30 percent. The extent of adsorption decreased with increasing SO2 concentration when halogens were present. Increasing the HCl concentration to 100 ppm lessened the effect of SO2. The fixed-bed model incorporates Langmuir adsorption kinetics and was developed to predict adsorption of elemental mercury and the effect of multiple flue gas components. This model neglects intraparticle diffusional resistances and is only applicable to pulverized carbon sorbents. It roughly describes experimental data from the literature. The current version includes the ability to account for competitive adsorption between mercury, SO2, and NO2. The single particle model simulates in-flight sorbent capture of elemental mercury. This model was developed to include Langmuir and Freundlich isotherms, rate equations, sorbent feed rate, and intraparticle diffusion. The Freundlich isotherm more accurately described in-flight mercury capture. Using these parameters, very little intraparticle diffusion was evident. Consistent with other data, smaller particles resulted in higher mercury uptake due to available surface area. Therefore, it is important to capture the particle size distribution in the model. At typical full-scale sorbent feed rates, the calculations underpredicted adsorption, suggesting that wall effects can account for as much as 50 percent of the removal, making it an important factor in entrained-mercury adsorption models.

  4. An assessment of the validity of cerium oxide as a surrogate for plutonium oxide gallium removal studies

    SciTech Connect (OSTI)

    Kolman, D.G.; Park, Y.; Stan, M.; Hanrahan, R.J. Jr.; Butt, D.P.

    1999-03-01T23:59:59.000Z

    Methods for purifying plutonium metal have long been established. These methods use acid solutions to dissolve and concentrate the metal. However, these methods can produce significant mixed waste, that is, waste containing both radioactive and chemical hazards. The volume of waste produced from the aqueous purification of thousands of weapons would be expensive to treat and dispose. Therefore, a dry method of purification is highly desirable. Recently, a dry gallium removal research program commenced. Based on initial calculations, it appeared that a particular form of gallium (gallium suboxide, Ga{sub 2}O) could be evaporated from plutonium oxide in the presence of a reducing agent, such as small amounts of hydrogen dry gas within an inert environment. Initial tests using ceria-based material (as a surrogate for PuO{sub 2}) showed that thermally-induced gallium removal (TIGR) from small samples (on the order of one gram) was indeed viable. Because of the expense and difficulty of optimizing TIGR from plutonium dioxide, TIGR optimization tests using ceria have continued. This document details the relationship between the ceria surrogate tests and those conducted using plutonia.

  5. Oxidation studies of CrAlON nanolayered coatings on steel plates...

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

    coatings on steel plates. Abstract: The requirements of low cost and high-temperature corrosion resistance for bipolar interconnect plates in solid oxide fuel cell stacks have...

  6. Study of O/Ni(100) with LEED (low-energy electron diffraction) and AES (auger electron spectroscopy) from chemisorption to oxidation

    SciTech Connect (OSTI)

    Wang, Wen-Di.

    1990-11-16T23:59:59.000Z

    The structures formed on the Ni(100) surface during oxygen adsorption, leading to oxidation, are studied with Video-LEED (low-energy electron diffraction) and AES (Auger electron spectroscopy). The temperature- and exposure-dependence in the development of LEED patterns observed during oxidation of Ni(100), at oxidation temperatures of 80 to 400 K, are investigated extensively. Integrated diffraction spot intensities and fractional spot profiles are measured quantitatively and continuously, allowing unambiguous correlation of various surface processes. AES is used to measure the oxidation onset during adsorption and the final relative thickness of the oxide. 48 figs., 79 refs.

  7. Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach

    E-Print Network [OSTI]

    Rivalta, I; Nenov, A; Cerullo, G; Mukamel, S; Garavelli, M; Garavelli, M

    2013-01-01T23:59:59.000Z

    calculations. Conclusions Two-dimensional electronic spectroscopy holds great potential for studying structure, dynamics,

  8. SUPERCRITICAL WATER PARTIAL OXIDATION PHASE I - PILOT-SCALE TESTING / FEASIBILITY STUDIES FINAL REPORT

    SciTech Connect (OSTI)

    SPRITZER,M; HONG,G

    2005-01-01T23:59:59.000Z

    Under Cooperative Agreement No. DE-FC36-00GO10529 for the Department of Energy, General Atomics (GA) is developing Supercritical Water Partial Oxidation (SWPO) as a means of producing hydrogen from low-grade biomass and other waste feeds. The Phase I Pilot-scale Testing/Feasibility Studies have been successfully completed and the results of that effort are described in this report. The Key potential advantages of the SWPO process is the use of partial oxidation in-situ to rapidly heat the gasification medium, resulting in less char formation and improved hydrogen yield. Another major advantage is that the high-pressure, high-density aqueous environment is ideal for reaching and gasifying organics of all types. The high water content of the medium encourages formation of hydrogen and hydrogen-rich products and is especially compatible with high water content feeds such as biomass materials. The high water content of the medium is also effective for gasification of hydrogen-poor materials such as coal. A versatile pilot plant for exploring gasification in supercritical water has been established at GA's facilities in San Diego. The Phase I testing of the SWPO process with wood and ethanol mixtures demonstrated gasification efficiencies of about 90%, comparable to those found in prior laboratory-scale SCW gasification work carreid out at the University of Hawaii at Manoa (UHM) as well as other biomass gasification experience with conventional gasifiers. As in the prior work at UHM, a significant amount of the hydrogen found in the gas phase products is derived from the water/steam matrix. The studies at UHM utilized an indirectly heated gasifier with an acitvated carbon catalyst. In contrast, the GA studies utilized a directly heated gasifier without catalyst, plus a surrogate waste fuel. Attainment of comparable gasification efficiencies without catalysis is an important advancement for the GA process, and opens the way for efficient hydrogen production from low-value, dirty feed materials. The Phase I results indicate that a practical means to overcome limitations on biomass slurry feed concentration and preheat temperatuare is to coprocess an auxiliary high heating value material. SWPO coprocessing of tow hgih-water content wastes, partially dewatered sewage sludge and trap grease, yields a scenario for the production of hydrogen at highly competitive prices. It is estimated that there are hundreds if not thousands of potential sites for this technology across the US and worldwide.

  9. Experimental studies and thermodynamic modelling of volatilities of uranium, plutonium, and americium from their oxides and from their oxides interacted with ash

    SciTech Connect (OSTI)

    Krikorian, O.H.; Ebbinghaus, B.B.; Adamson, M.G.; Fontes, A.S. Jr.; Fleming, D.L.

    1993-09-15T23:59:59.000Z

    The purpose of this study is to identify the types and amounts of volatile gaseous species of U, Pu, and Am that are produced in the combustion chamber offgases of mixed waste oxidation processors. Primary emphasis is on the Rocky Flats Plant Fluidized Bed Incinerator. Transpiration experiments have been carried out on U{sub 3}O{sub 8}(s), U{sub 3}O{sub 8} interacted with various ash materials, PuO{sub 2}(s), PuO{sub 2} interacted with ash materials, and a 3%PuO{sub 2}/0.06%AmO{sub 2}/ash material, all in the presence of steam and oxygen, and at temperatures in the vicinity of 1,300 K. UO{sub 3}(g) and UO{sub 2}(OH){sub 2}(g) have been identified as the uranium volatile species and thermodynamic data established for them. Pu and Am are found to have very low volatilities, and carryover of Pu and Am as fine dust particulates is found to dominate over vapor transport. The authors are able to set upper limits on Pu and Am volatilities. Very little lowering of U volatility is found for U{sub 3}O{sub 8} interacted with typical ashes. However, ashes high in Na{sub 2}O (6.4 wt %) or in CaO (25 wt %) showed about an order of magnitude reduction in U volatility. Thermodynamic modeling studies were carried out that show that for aluminosilicate ash materials, it is the presence of group I and group II oxides that reduces the activity of the actinide oxides. K{sub 2}O is the most effective followed by Na{sub 2}O and CaO for common ash constituents. A more major effect in actinide activity lowering could be achieved by adding excess group I or group II oxides to exceed their interaction with the ash and lead to direct formation of alkali or alkaline earth uranates, plutonates, and americates.

  10. Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO

    E-Print Network [OSTI]

    Marro, Joaquín

    Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO The poisoning dynamics of the Ziff­Gulari­Barshad Phys. Rev. Lett. 56, 2553 1986 model, for a monomer absorbing state and close to the coexistence point. Analysis of the average poisoning time ( p) allows us

  11. BIOAVAILABILITY OF BERYLLIUM OXIDE PARTICLES: AN IN VITRO STUDY IN THE MURINE J774A.1 MACROPHAGE CELL LINE MODEL

    E-Print Network [OSTI]

    Illinois at Chicago, University of

    BIOAVAILABILITY OF BERYLLIUM OXIDE PARTICLES: AN IN VITRO STUDY IN THE MURINE J774A.1 MACROPHAGE/04/10 Forpersonaluseonly. #12;Ronald C. Scripsick & Los Alamos National Laboratory, Los Alamos, New Mexico, USA & Beryllium is assessed through measurement of beryllium aerosol mass con- centration. Compliance with the current mass

  12. Cathodoluminescence Study of GadoliniumDoped Yttrium Oxide Thin Films Deposited By RadioFrequency Magnetron Sputtering

    E-Print Network [OSTI]

    Fitz-Gerald, James M.

    Cathodoluminescence Study of Gadolinium­Doped Yttrium Oxide Thin Films Deposited By Radio­Frequency (001) substrate using radio­frequency magnetron sputtering. Alternating layers of Y2O3 and Gd wereA/cm2 . Non- radiative decay via thermal pathways is suspected for the observed activator saturation

  13. Density functional study of structure and bonding in lithium clusters Lin and their oxides LinO

    E-Print Network [OSTI]

    of the homonuclear and oxide clusters are quite distinct. The combination of DF calculations with molecular dynamics- and d-electrons e.g., P and Fe, respectively . The structural flex- ibility and the absence of a clear absorption data,7 these calculations have been used to study the structures of the most stable isomers of Li4

  14. Thin film preparation and interfacial reaction study of solid oxide fuel cell materials

    SciTech Connect (OSTI)

    Chen, Chiehcheng.

    1992-01-01T23:59:59.000Z

    Solid oxide fuel cells (SOFC's) operate at 1000 C and their components are processed at even higher temperatures. It is generally desirable to reduce the operating and processing temperatures of SOFC's to make them competitive with other types of fuel cells and to avoid the interactions and interdiffusion between cell components. This can be achieved by either developing a technology to produce thin film electrolytes, or by developing new electrolyte and electrode materials with reduced interaction, lower interfacial resistance. The synthesis and characterization of (Ce-O2)0.8(Sm01.5)0.2 thin films from polymeric precursors is discussed. The reaction mechanism of the precursors and important parameters for making dense, crack-free films were investigated. The cathode/electrolyte interactions and their expected impact on SOFC performance are addressed. The cathode characteristics and cathode/electrolyte interaction of various perovskites are studied. The impact of interfacial reactions on cell performance is investigated. The electrode characteristics of dense La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) thin film produced by polymeric precursors are presented. The electrode resistance and characteristics of the electrode (dense)/electrolyte interface are studied. The effect of reactions and interdiffusion on interfacial resistance are discussed. A potential method for making dense ZrO2 films at relatively low temperatures by plasma-enhanced chemical vapor deposition is presented. The deposition parameters and characterization of ZrO2 film are reported.

  15. Capillary electrophoretic study of dibasic acids of different structures: Relation to separation of oxidative intermediates in remediation

    SciTech Connect (OSTI)

    Yu, Z.; Cocke, D.L. [Lamar Univ., Beaumont, TX (United States)

    1998-09-01T23:59:59.000Z

    Dicarboxylic acids are important in environmental chemistry because they are intermediates in oxidative processes involved in natural remediation and waste management processes such as oxidative detoxification and advanced oxidation. Capillary electrophoresis (CE), a promising technique for separating and analyzing these intermediates, has been used to examine a series of dibasic acids of different structures and conformations. This series includes malonic acid, succinic acid, glutaric acid, adipic acid, pimelic acid, maleic acid, fumaric acid, phthalic acid, and trans, trans-muconic acid. The CE parameters as well as structural variations (molecular structure and molecular isomers, buffer composition, pH, applied voltage, injection mode, current, temperature, and detection wavelength) that affect the separations and analytical results have been examined in this study. Those factors that affect the separation have been delineated. Among these parameters, the pH has been found to be the most important, which affects the double-layer of the capillary wall, the electro-osmotic flow and analyte mobility. The optimum pH for separating these dibasic acids, as well as the other parameters are discussed in detail and related to the development of methods for analyzing oxidation intermediates in oxidative waste management procedures.

  16. A study on oxidized glassy carbon sheets for bipolar supercapacitor electrodes

    SciTech Connect (OSTI)

    Braun, A.; Baertsch, M.; Geiger, F. [and others

    2000-07-01T23:59:59.000Z

    Electrochemical Double Layer Capacitors (EDLC) for high energy and power density applications, based on glassy carbon (GC) electrodes, are being developed in this laboratory. In the context of this project, GC sheets were oxidized and investigated with Small Angle X-ray Scattering (SAXS), Electrochemical Impedance Spectroscopy (EIS) and Nitrogen Gas Adsorption (BET). During oxidation on active film with open pores is built on the surface of the GC. Upon oxidation, the internal volumetric surface area of the active film decreases, whereas the volumetric electrochemical double layer capacitance increases. The authors show that this effect is correlated with the opening, the growth and the coalescence of the pores.

  17. Structural Study of Biotic and Abiotic Poorly-crystalline Manganese Oxides Using Atomic Pair Distribution Function Analysis

    SciTech Connect (OSTI)

    Billinge S. J.; Zhu, M.; Farrow, C.L.; Post, J.E.; Livi, K.J.T.; Ginder-Vogel, M.; Sparks, D.L.

    2012-03-15T23:59:59.000Z

    Manganese (Mn) oxides are among the most reactive natural minerals and play an important role in elemental cycling in oceanic and terrestrial environments. A large portion of naturally-occurring Mn oxides tend to be poorly-crystalline and/or nanocrystalline, with not fully resolved crystal structures. In this study, the crystal structures of their synthetic analogs including acid birnessite (AcidBir), {delta}-MnO{sub 2}, polymeric MnO{sub 2} (PolyMnO{sub 2}) and a bacteriogenic Mn oxide (BioMnO{sub x}), have been revealed using atomic pair distribution function (PDF) analysis. Results unambiguously verify that these Mn oxides are layered materials. The best models that accurately allow simulation of pair distribution functions (PDFs) belong to the monoclinic C12/m1 space group with a disk-like shape. The single MnO{sub 6} layers in the average structures deviate significantly from hexagonal symmetry, in contrast to the results of previous studies based on X-ray diffraction analysis in reciprocal space. Manganese occupancies in MnO{sub 6} layers are estimated to be 0.936, 0.847, 0.930 and 0.935, for AcidBir, BioMnO{sub x}, {delta}-MnO{sub 2} and PolyMnO{sub 2}, respectively; however, occupancies of interlayer cations and water molecules cannot be accurately determined using the models in this study. The coherent scattering domains (CSDs) of PolyMnO{sub 2}, {delta}-MnO{sub 2} and BioMnO{sub x} are at the nanometer scale, comprising one to three MnO{sub 6} layers stacked with a high disorder in the crystallographic c-axis direction. Overall, the results of this study advance our understanding of the mineralogy of Mn oxide minerals in the environment.

  18. Structural study of biotic and abiotic poorly-crystalline manganese oxides using atomic pair distribution function analysis

    SciTech Connect (OSTI)

    Zhu, Mengqiang; Farrow, Christopher L.; Post, Jeffrey E.; Livi, Kenneth J.T.; Billinge, Simon J.L.; Ginder-Vogel, Matthew; Sparks, Donald L. (Delaware); (Columbia); (JHU); (Smithsonian)

    2012-03-15T23:59:59.000Z

    Manganese (Mn) oxides are among the most reactive natural minerals and play an important role in elemental cycling in oceanic and terrestrial environments. A large portion of naturally-occurring Mn oxides tend to be poorly-crystalline and/or nanocrystalline, with not fully resolved crystal structures. In this study, the crystal structures of their synthetic analogs including acid birnessite (AcidBir), {delta}-MnO{sub 2}, polymeric MnO{sub 2} (PolyMnO{sub 2}) and a bacteriogenic Mn oxide (BioMnO{sub x}), have been revealed using atomic pair distribution function (PDF) analysis. Results unambiguously verify that these Mn oxides are layered materials. The best models that accurately allow simulation of pair distribution functions (PDFs) belong to the monoclinic C12/m1 space group with a disk-like shape. The single MnO{sub 6} layers in the average structures deviate significantly from hexagonal symmetry, in contrast to the results of previous studies based on X-ray diffraction analysis in reciprocal space. Manganese occupancies in MnO{sub 6} layers are estimated to be 0.936, 0.847, 0.930 and 0.935, for AcidBir, BioMnOx, {delta}-MnO{sub 2} and PolyMnO{sub 2}, respectively; however, occupancies of interlayer cations and water molecules cannot be accurately determined using the models in this study. The coherent scattering domains (CSDs) of PolyMnO{sub 2}, {delta}-MnO{sub 2} and BioMnO{sub x} are at the nanometer scale, comprising one to three MnO{sub 6} layers stacked with a high disorder in the crystallographic c-axis direction. Overall, the results of this study advance our understanding of the mineralogy of Mn oxide minerals in the environment.

  19. A study of ZnxZryOz mixed oxides for direct conversion of ethanol to isobutene

    SciTech Connect (OSTI)

    Liu, Changjun; Sun, Junming; Smith, Colin; Wang, Yong

    2013-10-02T23:59:59.000Z

    ZnxZryOz mixed oxides were studied for direct conversion of ethanol to isobutene. Reaction conditions (temperature, residence time, ethanol molar fraction, steam to carbon ratio), catalyst composition, and pretreatment conditions were investigated, aiming at high-yield production of isobutene under industrially relevant conditions. An isobutene yield of 79% was achieved with an ethanol molar fraction of 8.3% at 475 °C on fresh Zn1Zr8O17 catalysts. Further durability and regeneration tests revealed that the catalyst exhibited very slow deactivation via coking formation with isobutene yield maintained above 75% for more than 10 h time-on-stream. More importantly, the catalysts activity in terms of isobutene yield can be readily recovered after in situ calcination in air at 550 °C for 2.5 h. XRD, TPO, IR analysis of adsorbed pyridine (IR-Py), and nitrogen sorption have been used to characterize the surface physical/chemical properties to correlate the structure and performance of the catalysts.

  20. A rapid compression machine study of the oxidation of propane in the negative temperature coefficient regime

    SciTech Connect (OSTI)

    Gallagher, S.M.; Curran, H.J.; Metcalfe, W.K.; Healy, D.; Simmie, J.M. [Combustion Chemistry Centre, National University of Ireland, Galway (Ireland); Bourque, G. [Rolls-Royce Canada, Montreal (Canada)

    2008-04-15T23:59:59.000Z

    The oxidation of propane has been studied in the temperature range 680-970 K at compressed gas pressures of 21, 27, and 37 atm and at varying equivalence ratios of 0.5, 1.0, and 2.0. These data are consistent with other experiments presented in the literature for alkane fuels in that, when ignition delay times are plotted as a function of temperature, a characteristic negative coefficient behavior is observed. In addition, these data were simulated using a detailed chemical kinetic model. It was found that qualitatively the model correctly simulated the effect of change in equivalence ratio and pressure, predicting that fuel-rich, high-pressure mixtures ignite fastest, while fuel-lean, low-pressure mixtures ignite slowest. Moreover, reactivity as a function of temperature is well captured, with the model predicting negative temperature coefficient behavior similar to the experiments. Quantitatively the model is faster than experiment for all mixtures at the lowest temperatures (650-750 K) and is also faster than experiment throughout the entire temperature range for fuel-lean mixtures. (author)

  1. Neutron diffraction studies of nickel-containing perovskite oxide catalysts exposed to autothermal reforming environments.

    SciTech Connect (OSTI)

    Mawdsley, J. R.; Vaughey, J. T.; Krause, T. R.; Chemical Sciences and Engineering Division

    2009-10-27T23:59:59.000Z

    Six nickel-containing perovskite oxides (La{sub 1-x}Sr{sub x})M{sub 0.9}Ni{sub 0.1}O{sub 3{+-}{delta}}, where x = 0 or 0.2 and M = Cr, Fe, or Mn were used to catalyze the autothermal reforming of isooctane (C{sub 8}H{sub 18}) into a hydrogen-rich gas during short-term tests at 700 C. To determine the phase stability of the samples in the reducing environment of the reforming reactor, characterization studies of the as-prepared and tested perovskite samples were conducted using powder X-ray diffraction, powder neutron diffraction, transmission electron microscopy, and scanning electron microscopy. We determined that the reducing conditions of the microreactor caused metallic nickel to form in all six compositions. However, the extent of the nickel loss from the perovskite lattices varied: the chromium-containing compositions lost the least nickel, compared to the manganese- and iron-containing compositions, and the strontium-free compositions lost more nickel than their strontium-containing analogs. Five of the six perovskite compositions tested showed no breakdown of the perovskite lattice despite the loss of nickel from the B-sites, producing only the third example of a B-cation-deficient, 3d transition-metal-containing perovskite.

  2. STUDY MAGNETIC EXCITATIONS IN DOPED TRANSITION METAL OXIDES USING INELASTIC NEUTRON SCATTERING

    SciTech Connect (OSTI)

    Dai, Pengcheng

    2014-02-18T23:59:59.000Z

    Understanding the interplay between magnetism and superconductivity continues to be a “hot” topic in modern condensed matter physics. The discovery of high-temperature superconductivity in iron-based materials in 2008 provided an unique opportunity to compare and contrast these materials with traditional high-Tc copper oxide superconductors. Neutron scattering plays an important role in determining the dynamical spin properties in these materials. This proposal is a continuation of previous DOE supported proposal. This report summarizes the final progress we have made over from May 2005 till Aug. 2013. Overall, we continue to carry out extensive neutron scattering experiments on Fe-based materials, focusing on understanding their magnetic properties. In addition, we have established a materials laboratory at UT that has allowed us to grow these superconductors. Because neutron scattering typically demands a large amount of samples, by growing these materials in our own laboratory, we can now pursuit neutron scattering experiments over the entire electronic phase diagram, focusing on regions of interests. The material synthesis laboratory at UT was established entirely with the support of DOE funding. This not only allowed us to carry out neutron scattering experiments, but also permit us to provide samples to other US/International collaborators for studying these materials.

  3. Fundamental studies of heterostructured oxide thin film electrocatalysts for oxygen reduction at high temperatures

    E-Print Network [OSTI]

    Crumlin, Ethan J

    2012-01-01T23:59:59.000Z

    Searching for active and cost-effective catalysts for oxygen electrocatalysis is essential for the development of efficient clean electrochemical energy technologies. Perovskite oxides are active for surface oxygen exchange ...

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

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

  5. Mechanistic, sensitivity, and uncertainty studies of the atmospheric oxidation of dimethylsulfide

    E-Print Network [OSTI]

    Lucas, Donald David, 1969-

    2003-01-01T23:59:59.000Z

    The global-scale emissions and reactivity of dimethylsulfide (CH3SCH3, DMS) make it an integral component in the atmospheric sulfur cycle. DMS is rapidly oxidized in the atmosphere by a complex gas-phase mechanism involving ...

  6. Structural study of VO {sub x} doped aluminium fluoride and aluminium oxide catalysts

    SciTech Connect (OSTI)

    Scheurell, Kerstin [Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor-Street 2, Berlin D-12489 (Germany); Scholz, Gudrun [Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor-Street 2, Berlin D-12489 (Germany); Kemnitz, Erhard [Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor-Street 2, Berlin D-12489 (Germany)], E-mail: erhard.kemnitz@chemie.hu-berlin.de

    2007-02-15T23:59:59.000Z

    The structural properties of vanadium doped aluminium oxyfluorides and aluminium oxides, prepared by a modified sol-gel synthesis route, were thoroughly investigated. The influence of the preparation technique and the calcination temperature on the coordination of vanadium, aluminium and fluorine was analysed by different spectroscopic methods such as Raman, MAS NMR and ESR spectroscopy. In all samples calcined at low temperatures (350 deg. C), vanadium coexists in two oxidation states V{sup IV} and V{sup V}, with V{sup IV} as dominating species in the vanadium doped aluminium oxyfluorides. In the fluoride containing solids aluminium as well as vanadium are coordinated by fluorine and oxygen. Thermal annealing of 800 deg. C leads to an extensive reorganisation of the original matrices and to the oxidation of V{sup IV} to V{sup V} in both systems. - Graphical abstract: Structure model for VO {sub x} doped aluminium oxide.

  7. ELECTRON SPECTROSCOPY STUDIES OF CLEAN OXIDE SURFACES, CHEMISORBED MOLECULES AND PHOTO-ASSISTED PROCESSES

    E-Print Network [OSTI]

    Lo, Wei Jen

    2011-01-01T23:59:59.000Z

    TITANIUM DIOXIDE (RUTILE) CRYSTAL SURFACES ABSTRACT Low-energytitanium film to -100 L oxygen at room temperature. Low energy (titanium ions with unusual oxidation states. Ultraviolet photoemission spectroscopy (UPS) and electron energy

  8. Performance of Blackglas{trademark} composites in 4000-hour oxidation study

    SciTech Connect (OSTI)

    Campbell, S.; Gonczy, S. [AlliedSignal Inc., Des Plaines, IL (United States); McNallan, M.; Cox, A. [Univ. of Illinois, Chicago, IL (United States)

    1996-12-31T23:59:59.000Z

    The effect of long term (4000 hour) oxidation on the mechanical properties of Blackglas{trademark}-Nitrided Nextel{trademark}312 Ceramic Matrix Composites in the temperature range of 500{degrees} - 700{degrees}C was investigated. Flexure specimens of the title composites prepared using three different pyrolysis processes were subjected to oxidation in flowing dry air at 500{degrees}, 600{degrees}C, and 700{degrees}C. Samples were removed at several different time intervals for 3-point flexure analysis. Results indicate that processing conditions had very little effect on the oxidation resistance of this system. At 600{degrees} and 700{degrees}C the mechanical properties degrade continuously to a steady value about half the original flexure strength. At 500{degrees}C, material properties initially improve then begin to slowly degrade. Optical microscopy indicates that oxidation of the matrix begins at the matrix/fiber interface and microcracks and proceeds into the bulk of the matrix.

  9. The defect chemistry of nitrogen in oxides: A review of experimental and theoretical studies

    SciTech Connect (OSTI)

    Polfus, Jonathan M.; Norby, Truls [University of Oslo, Department of Chemistry, Centre for Materials Science and Nanotechnology (SMN), Gaustadalleen 21, FERMiO, NO-0349 Oslo (Norway)] [University of Oslo, Department of Chemistry, Centre for Materials Science and Nanotechnology (SMN), Gaustadalleen 21, FERMiO, NO-0349 Oslo (Norway); Haugsrud, Reidar, E-mail: reidarha@kjemi.uio.no [University of Oslo, Department of Chemistry, Centre for Materials Science and Nanotechnology (SMN), Gaustadalleen 21, FERMiO, NO-0349 Oslo (Norway)] [University of Oslo, Department of Chemistry, Centre for Materials Science and Nanotechnology (SMN), Gaustadalleen 21, FERMiO, NO-0349 Oslo (Norway)

    2013-02-15T23:59:59.000Z

    Incorporation of nitrogen into oxides has in recent years received increased attention as a variable for tuning their functional properties. A vast number of reports have been devoted to improving the photocatalytic properties of TiO{sub 2}, p-type charge carrier concentration in ZnO and the ionic transport properties of ZrO{sub 2} by nitrogen doping. In comparison, the fundamentals of the nitrogen related defect chemistry for a wider range of oxides have been less focused upon. In the present contribution, we review experimental and computational investigations of the nitrogen related defect chemistry of insulating and semiconducting oxides. The interaction between nitrogen and protons is important and emphasized. Specifically, the stability of nitrogen defects such as N{sub O}{sup /}, NH{sub O}{sup Multiplication-Sign} and (NH{sub 2}){sub O}{sup Bullet} is evaluated under various conditions and their atomistic and electronic structure is presented. A final discussion is devoted to the role of nitrogen with respect to transport properties and photocatalytic activity of oxides. - Graphical abstract: Experimental and theoretical investigations of the nitrogen related defect chemistry of a range of wide band gap oxides is reviewed. The interaction between nitrogen dopants and protons is emphasized and described through the atomistic and electronic structure as well as defect chemical processes involving NH and NH{sub 2} defects. Consequently, the physical properties of oxides containing such species are discussed with respect to e.g., diffusion and photocatalytic properties. Highlights: Black-Right-Pointing-Pointer Experimental and theoretical investigations of the nitrogen and hydrogen related defect chemistry of wide band gap oxides is reviewed. Black-Right-Pointing-Pointer The interaction between nitrogen dopants and protons is important and emphasized. Black-Right-Pointing-Pointer Diffusion and photocatalytic properties of N-doped oxides are discussed.

  10. Modeling and experimental studies of oxide covered metal surfaces: TiO{sub 2}/Ti a model system. Progress report

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-12-31T23:59:59.000Z

    Prior work in our laboratories at the Corrosion Research Center has shown that thin, anodic TiO{sub 2} films formed by the Slow Growth Mode (SGM) on polycrystalline titanium and microcrystalline with a texture that varies from one metal grain to another. Furthermore, the underlying metal grains are mapped by the photoelectrochemical response of the oxide. The same characteristics have also been demonstrated in our laboratory for ZnO grown on Zn. The TiO{sub 2}/Ti system has been chosen for study both because of its importance in energy systems, and because it can serve as a model system for other metal-metal oxide couples. The investigations of anodic TiO{sub 2} films on Ti have shown that the properties of thin films are consistent with the rutile form of the oxide. Both experimental data and theoretical calculations show the close resemblance to results on single crystal TiO{sub 2}. Furthermore, the modeling studies reveal that the optical transitions near the bandedge arise from the bulk band structure. The photoelectrochemical properties of anodic TiO{sub 2} films have now been shown to obey the simple Gaertner-Butler model for the semiconductor-electrolyte interface, with a few modifications. The most important deviation has now been shown to be a result of multiple internal reflections in the oxide film.

  11. Modeling and experimental studies of oxide covered metal surfaces: TiO sub 2 /Ti a model system

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-01-01T23:59:59.000Z

    Prior work in our laboratories at the Corrosion Research Center has shown that thin, anodic TiO{sub 2} films formed by the Slow Growth Mode (SGM) on polycrystalline titanium and microcrystalline with a texture that varies from one metal grain to another. Furthermore, the underlying metal grains are mapped by the photoelectrochemical response of the oxide. The same characteristics have also been demonstrated in our laboratory for ZnO grown on Zn. The TiO{sub 2}/Ti system has been chosen for study both because of its importance in energy systems, and because it can serve as a model system for other metal-metal oxide couples. The investigations of anodic TiO{sub 2} films on Ti have shown that the properties of thin films are consistent with the rutile form of the oxide. Both experimental data and theoretical calculations show the close resemblance to results on single crystal TiO{sub 2}. Furthermore, the modeling studies reveal that the optical transitions near the bandedge arise from the bulk band structure. The photoelectrochemical properties of anodic TiO{sub 2} films have now been shown to obey the simple Gaertner-Butler model for the semiconductor-electrolyte interface, with a few modifications. The most important deviation has now been shown to be a result of multiple internal reflections in the oxide film.

  12. Oxidation of ligand-protected aluminum clusters: An ab initio molecular dynamics study

    SciTech Connect (OSTI)

    Alnemrat, Sufian; Hooper, Joseph P., E-mail: jphooper@nps.edu [Department of Physics, Naval Postgraduate School, Monterey, California 93943 (United States)

    2014-03-14T23:59:59.000Z

    We report Car-Parrinello molecular dynamics simulations of the oxidation of ligand-protected aluminum clusters that form a prototypical cluster-assembled material. These clusters contain a small aluminum core surrounded by a monolayer of organic ligand. The aromatic cyclopentadienyl ligands form a strong bond with surface Al atoms, giving rise to an organometallic cluster that crystallizes into a low-symmetry solid and is briefly stable in air before oxidizing. Our calculations of isolated aluminum/cyclopentadienyl clusters reacting with oxygen show minimal reaction between the ligand and O{sub 2} molecules at simulation temperatures of 500 and 1000 K. In all cases, the reaction pathway involves O{sub 2} diffusing through the ligand barrier, splitting into atomic oxygen upon contact with the aluminum, and forming an oxide cluster with aluminum/ligand bonds still largely intact. Loss of individual aluminum-ligand units, as expected from unimolecular decomposition calculations, is not observed except following significant oxidation. These calculations highlight the role of the ligand in providing a steric barrier against oxidizers and in maintaining the large aluminum surface area of the solid-state cluster material.

  13. Growth study and photocatalytic properties of Co-doped tungsten oxide mesocrystals

    SciTech Connect (OSTI)

    Sun, Shibin [College of Logistics Engineering, Shanghai Maritime University, Shanghai 200135 (China) [College of Logistics Engineering, Shanghai Maritime University, Shanghai 200135 (China); College of Electromechanical Engineering, Qingdao University of Science and Technology, Qingdao 266061 (China); Chang, Xueting, E-mail: xuetingchang@yahoo.cn [College of Logistics Engineering, Shanghai Maritime University, Shanghai 200135 (China)] [College of Logistics Engineering, Shanghai Maritime University, Shanghai 200135 (China); Li, Zhenjiang [College of Electromechanical Engineering, Qingdao University of Science and Technology, Qingdao 266061 (China)] [College of Electromechanical Engineering, Qingdao University of Science and Technology, Qingdao 266061 (China)

    2012-11-15T23:59:59.000Z

    Cobalt-doped tungsten oxide mesocrystals with different morphologies have been successfully generated using a solvothermal method with tungsten hexachloride and cobalt chloride salts as precursors. The resulting mesocrystals were characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, Brunauer-Emmet-Teller analysis of nitrogen sorptometer, and UV-vis diffuse reflectance spectroscopy. The photocatalytic properties of the cobalt-doped tungsten oxide mesocrystals were evaluated on the basis of their ability to degrade methyl orange in an aqueous solution under simulated sunlight irradiation. Results showed that the cobalt doping had obvious effect on the morphologies of the final products, and lenticular and blocky cobalt-doped tungsten oxide mesocrystals could be obtained with 1.0 wt.% and 2.0 wt.% cobalt doping, respectively. The cobalt-doped tungsten oxides exhibited superior photocatalytic activities to that of the undoped tungsten oxide. - Graphical abstract: Schematic illustrations of the growth of the bundled nanowires, lenticular mesocrystals, and blocky mesocrystals. Highlights: Black-Right-Pointing-Pointer Co-doped W{sub 18}O{sub 49} mesocrystals were synthesized using a solvothermal method. Black-Right-Pointing-Pointer The Co doping has obvious effect on the morphology of the final mesocrystals. Black-Right-Pointing-Pointer The Co-doped W{sub 18}O{sub 49} exhibited superior photocatalytic activity to the undoped W{sub 18}O{sub 49}.

  14. Oxidation and characterization of FGD byproduct calcium sulfite and oxidized product

    E-Print Network [OSTI]

    Gupta, Anurag

    1993-01-01T23:59:59.000Z

    with absorbed sulfur dioxide, sulfite oxidation and CaSOs/CaSO4 crystallization. Calcium ion is formed during dissolution of calcium carbonate in water. z CaCO3 (s) ? -& CaCO3 (aq) (2-1) CaCO3 + H20 ? -& Ca~ + HCO3 + OH (2-2) Sulfur dioxide is absorbed... in the water and forms SO3= ion. SO2 (g) ? -& SO2 (aq) (2-3) SO2 (aq) + H20 ? -& H2SO3 ? -& HSO3- + H+ (2-4) HSO3- ? -& H+ + SO3= (2-5) The sulfite ions react with calcium ions to form calcium sulfite hemihydrate. Ca++ + SO3= + ? HpO ? -& CaSO3. ? HZO (s...

  15. X-ray absorption spectroscopy studies of electrochemically deposited thin oxide films.

    SciTech Connect (OSTI)

    Balasubramanian, M.

    1998-06-02T23:59:59.000Z

    We have utilized ''in situ'' X-ray Absorption Fine Structure Spectroscopy to investigate the structure and composition of thin oxide films of nickel and iron that have been prepared by electrodeposition on a graphite substrate from aqueous solutions. The films are generally disordered. Structural information has been obtained from the analysis of the data. We also present initial findings on the local structure of heavy metal ions, e.g. Sr and Ce, incorporated into the electrodeposited nickel oxide films. Our results are of importance in a number of technological applications, among them, batteries, fuel cells, electrochromic and ferroelectric materials, corrosion protection, as well as environmental speciation and remediation.

  16. History of Resistance Welding Oxide Dispersion Strengthened Cladding and other High Temperature Materials at Center for Advanced Energy Studies

    SciTech Connect (OSTI)

    Larry Zirker; Nathan Jerred; Dr. Indrajit Charit; James Cole

    2012-03-01T23:59:59.000Z

    Research proposal 08-1079, 'A Comparative Study of Welded ODS Cladding Materials for AFCI/GNEP,' was funded in 2008 under an Advanced Fuel Cycle Initiative (AFCI) Research and Development Funding Opportunity, number DE-PS07-08ID14906. Th proposal sought to conduct research on joining oxide dispersion strengthen (ODS) tubing material to a solid end plug. This document summarizes the scientific and technical progress achieved during the project, which ran from 2008 to 2011.

  17. Studies on catalytic and structural properties of BaRuO3 type perovskite1 material for diesel soot oxidation2

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Studies on catalytic and structural properties of BaRuO3 type perovskite1 material for diesel by co-precipitation24 method and its catalytic activity has been tested for diesel soot oxidation processes and vehicle exhaust.33 Key words: BaRuO3, perovskite, diesel soot oxidation, vehicular exhaust

  18. An experimental and detailed chemical kinetic modelling study of 2methyl furan oxidation

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    be burned pure in current internal combustion engines with similar performance to gasoline. Measurements Glaudeb , Henry J. Currana a Combustion Chemistry Centre, School of Chemistry, NUI Galway, Ireland the oxidation of any of the alkylated furans. The mechanism developed herein to describe 2MF combustion should

  19. Modeling study of the lowtemperature oxidation of large methyl esters from C11 to C19

    E-Print Network [OSTI]

    Boyer, Edmond

    in biodiesel fuels has been investigated. Models have been developed for these species and then detailed; Biodiesel fuels; Modeling; Oxidation * Corresponding author: Olivier Herbinet Laboratory of Reaction the differences with the combustion of alkanes induced by the ester function. While biodiesel fuels deriving from

  20. Atomistic Simulation Study of Spinel Oxides: Zinc Aluminate and Zinc Gallate

    E-Print Network [OSTI]

    Pandey, Ravi

    + in the spinel oxides considered here. The calculated formation energies of the native defects suggest, Julian D. Gale, Suresh K. Sampath, and Jose M. Recio§ Department of Physics, Michigan Technological University, Houghton, Michigan 49931; Department of Chemistry, Imperial College of Science, Technology

  1. Study of Interfacial Interactions Using Thing Film Surface Modification: Radiation and Oxidation Effects in Materials

    SciTech Connect (OSTI)

    Sridharan, Kumar; Zhang, Jinsuo

    2014-01-09T23:59:59.000Z

    Interfaces play a key role in dictating the long-term stability of materials under the influence of radiation and high temperatures. For example, grain boundaries affect corrosion by way of providing kinetically favorable paths for elemental diffusion, but they can also act as sinks for defects and helium generated during irradiation. Likewise, the retention of high-temperature strength in nanostructured, oxide-dispersion strengthened steels depends strongly on the stoichiometric and physical stability of the (Y, Ti)-oxide particles/matrix interface under radiation and high temperatures. An understanding of these interfacial effects at a fundamental level is important for the development of materials for extreme environments of nuclear reactors. The goal of this project is to develop an understanding stability of interfaces by depositing thin films of materials on substrates followed by ion irradiation of the film-substrate system at elevated temperatures followed by post-irradiation oxidation treatments. Specifically, the research will be performed by depositing thin films of yttrium and titanium (~500 nm) on Fe-12%Cr binary alloy substrate. Y and Ti have been selected as thin-film materials because they form highly stable protective oxides layers. The Fe-12%Cr binary alloy has been selected because it is representative of ferritic steels that are widely used in nuclear systems. The absence of other alloying elements in this binary alloy would allow for a clearer examination of structures and compositions that evolve during high-temperature irradiations and oxidation treatments. The research is divided into four specific tasks: (1) sputter deposition of 500 nm thick films of Y and Ti on Fe-12%Cr alloy substrates, (2) ion irradiation of the film-substrate system with 2MeV protons to a dose of 2 dpa at temperatures of 300°C, 500°C, and 700°C, (3) oxidation of as-deposited and ion-irradiated samples in a controlled oxygen environment at 500°C and 700°C, (4) multi-scale computational modeling involving first- principle molecular dynamics (FPMD) and coarse-grained dissipative particle dynamics (DPD) approaches to develop theories underlying the evolution and stability of structures and phases. Samples from Tasks 1 to 3 (above) will be rigorously characterized and analyzed using scanning electron microscopy, Auger electron microscopy, x-ray diffraction, Rutherford back scatter spectroscopy, and transmission electron microscopy. Expected outcomes of the experimental work include a quantitative understanding film-substrate interface mixing, evolution of defects and other phases at the interface, interaction of interfaces with defects, and the ability of the Y and Ti films to mitigate irradiation-assisted oxidation.The aforementioned experimental work will be closely coupled with multi-scale molecular dynamics (MD) modeling to understand the reactions at the surface, the transport of oxidant through the thin film, and the stabilities of the deposited thin films under radiation and oxidation. Simulations of materials property changes under conditions of radiation and oxidation require multiple size domains and a different simulation scheme for each of these domains. This will be achieved by coupling the FPMD and coarse-grained kinetic Monte Carlo (KMC). This will enable the comparison of the results of each simulation approach with the experimental results.

  2. First Principles Study of Photo-oxidation Degradation Mechanisms in P3HT for Organic Solar Cells

    E-Print Network [OSTI]

    Na Sai; Kevin Leung; Judit Zádor; Graeme Henkelman

    2014-03-19T23:59:59.000Z

    We present a theoretical study of degradation mechanisms for photoinduced oxidation in organic polymers in the condensed phase, using poly(3-hexylthiophene)(P3HT) as an example. Applying density functional theory with a hybrid density functional and periodic boundary conditions that account for steric effects and permit the modeling of interchain chemical reactions, we investigate reaction pathways that may lead to the oxidation of thiophene backbone as a critical step toward disrupting the polymer conjugation. We calculate energy barriers for reactions of the P3HT backbone with oxidizing agents including hydroxyl radical (OH$\\cdot$), hydroperoxide (ROOH), and peroxyl radical (ROO$\\cdot$), following a UV-driven radical reaction starting at the $\\alpha$-carbon of the alkyl side chain as suggested by infrared (IR) and X-ray photoemission (XPS) spectrosocopy studies. The results strongly suggest that an attack of OH$\\cdot$ on sulfur in P3HT is unlikely to be thermodynamically favored. On the other hand, an attack of a peroxyl radical on the side chain on the P3HT backbone may provide low barrier reaction pathways to photodegradation of P3HT and other polymers with side chains. The condensed phase setting is found to qualitatively affect predictions of degradation processes.

  3. First Principles Study of Photo-oxidation Degradation Mechanisms in P3HT for Organic Solar Cells

    E-Print Network [OSTI]

    Sai, Na; Zádor, Judit; Henkelman, Graeme

    2014-01-01T23:59:59.000Z

    We present a theoretical study of degradation mechanisms for photoinduced oxidation in organic polymers in the condensed phase, using poly(3-hexylthiophene)(P3HT) as an example. Applying density functional theory with a hybrid density functional and periodic boundary conditions that account for steric effects and permit the modeling of interchain chemical reactions, we investigate reaction pathways that may lead to the oxidation of thiophene backbone as a critical step toward disrupting the polymer conjugation. We calculate energy barriers for reactions of the P3HT backbone with oxidizing agents including hydroxyl radical (OH$\\cdot$), hydroperoxide (ROOH), and peroxyl radical (ROO$\\cdot$), following a UV-driven radical reaction starting at the $\\alpha$-carbon of the alkyl side chain as suggested by infrared (IR) and X-ray photoemission (XPS) spectrosocopy studies. The results strongly suggest that an attack of OH$\\cdot$ on sulfur in P3HT is unlikely to be thermodynamically favored. On the other hand, an attac...

  4. Pyroprocessing of oxidized sodium-bonded fast reactor fuel - An experimental study of treatment options for degraded EBR-II fuel

    SciTech Connect (OSTI)

    Hermann, S.D.; Gese, N.J. [Separations Department, Idaho National Laboratory, P.O. Box 1625, Idaho Falls, ID 83415 (United States); Wurth, L.A. [Zinc Air Inc., 5314-A US Hwy 2 West, Columbia Falls, MT 59912 (United States)

    2013-07-01T23:59:59.000Z

    An experimental study was conducted to assess pyrochemical treatment options for degraded EBR-II fuel. As oxidized material, the degraded fuel would need to be converted back to metal to enable electrorefining within an existing electro-metallurgical treatment process. A lithium-based electrolytic reduction process was studied to assess the efficacy of converting oxide materials to metal with a particular focus on the impact of zirconium oxide and sodium oxide on this process. Bench-scale electrolytic reduction experiments were performed in LiCl-Li{sub 2}O at 650 C. degrees with combinations of manganese oxide (used as a surrogate for uranium oxide), zirconium oxide, and sodium oxide. In the absence of zirconium or sodium oxide, the electrolytic reduction of MnO showed nearly complete conversion to metal. The electrolytic reduction of a blend of MnO-ZrO{sub 2} in LiCl - 1 wt% Li{sub 2}O showed substantial reduction of manganese, but only 8.5% of the zirconium was found in the metal phase. The electrolytic reduction of the same blend of MnO-ZrO{sub 2} in LiCl - 1 wt% Li{sub 2}O - 6.2 wt% Na{sub 2}O showed substantial reduction of manganese, but zirconium reduction was even less at 2.4%. This study concluded that ZrO{sub 2} cannot be substantially reduced to metal in an electrolytic reduction system with LiCl - 1 wt% Li{sub 2}O at 650 C. degrees due to the perceived preferential formation of lithium zirconate. This study also identified a possible interference that sodium oxide may have on the same system by introducing a parasitic and cyclic reaction of dissolved sodium metal between oxidation at the anode and reduction at the cathode. When applied to oxidized sodium-bonded EBR-II fuel (e.g., U-10Zr), the prescribed electrolytic reduction system would not be expected to substantially reduce zirconium oxide, and the accumulation of sodium in the electrolyte could interfere with the reduction of uranium oxide, or at least render it less efficient.

  5. Theoretical study of reactions of HO{sub 2} in low-temperature oxidation of benzene

    SciTech Connect (OSTI)

    Altarawneh, Mohammednoor [Chemical Engineering Department, Al-Hussein Bin Talal University, Ma'an (Jordan); Dlugogorski, Bogdan Z.; Kennedy, Eric M.; Mackie, John C. [Process Safety and Environment Protection Research Group, School of Engineering, The University of Newcastle, Callaghan, NSW 2308 (Australia)

    2010-07-15T23:59:59.000Z

    We have generated a set of thermodynamic and kinetic parameters for the reactions involving HO{sub 2} in the very early stages of benzene oxidation at low temperatures using density functional theory (DFT). In particular, we report the rate constants for the reactions of HO{sub 2} with benzene and phenyl. The calculated reaction rate constant for the abstraction of H-C{sub 6}H{sub 5} by HO{sub 2} is found to be in good agreement with the limited experimental values. HO{sub 2} addition to benzene is found to be more important than direct abstraction. We show that the reactions of HO{sub 2} with the phenyl radical generate the propagating radical OH in a highly exoergic reaction. The results presented herein should be useful in modeling the oxidation of aromatic compounds at low temperatures. (author)

  6. Experimental Studies of Hydroxyl Radical Initiated Tropospheric Oxidation of Unsaturated Hydrocarbons

    E-Print Network [OSTI]

    Ghosh, Buddhadeb

    2011-10-21T23:59:59.000Z

    End Product Distribution .............................. 90 E. Conclusions .............................................................................................. 92 viii CHAPTER Page V HYDROXYL RADICAL INITIATED OXIDATION... the rate constants for the estimated error range for NO addition to hydroxyl alkyl radical rate (k3). A:[IC5H8OH] = 2.1 ? 1013 molecules cm-3, [NO] = 2.8 ? 1015 molecules cm-3, [O2] = 1.5 ? 1016 molecules cm-3 Upper limit = 20.0 ? 10-12...

  7. Study on the oxidation and reduction of tungsten surface for sub-50 nm patterning process

    SciTech Connect (OSTI)

    Kim, Jong Kyu; Nam, Seok Woo; Cho, Sung Il; Jhon, Myung S.; Min, Kyung Suk; Kim, Chan Kyu; Jung, Ho Bum; Yeom, Geun Young [Memory Division Semiconductor Business, Samsung Electronics, San No. 16 Banwol-Ri, Taean-Eup, Hwasung-City, Gyeonggi-Do 449-711, South Korea and Department of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon, Gyeonggi-do 440-746 (Korea, Republic of); Memory Division Semiconductor Business, Samsung Electronics, San No. 16 Banwol-Ri, Taean-Eup, Hwasung-City, Gyeonggi-Do 449-711 (Korea, Republic of); Department of Chemical Engineering and Data Storage Systems Center, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States); Department of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon, Gyeonggi-do 440-746 (Korea, Republic of)

    2012-11-15T23:59:59.000Z

    The oxidation characteristics of tungsten line pattern during the carbon-based mask-layer removal process using oxygen plasmas have been investigated for sub-50 nm patterning processes, in addition to the reduction characteristics of the WO{sub x} layer formed on the tungsten line surface using hydrogen plasmas. The surface oxidation of tungsten lines during the mask layer removal process could be minimized by using low-temperature (300 K) plasma processing for the removal of the carbon-based material. Using this technique, the thickness of WO{sub x} on the tungsten line could be decreased to 25% compared to results from high-temperature processing. The WO{sub x} layer could also be completely removed at a low temperature of 300 K using a hydrogen plasma by supplying bias power to the tungsten substrate to provide a activation energy for the reduction. When this oxidation and reduction technique was applied to actual 40-nm-CD device processing, the complete removal of WO{sub x} formed on the sidewall of tungsten line could be observed.

  8. Studies involving high temperature desulfurization/regeneration reactions of metal oxides for fuel cell development. Final report

    SciTech Connect (OSTI)

    Jalan, V.

    1983-10-01T23:59:59.000Z

    Research conducted at Giner, Inc. during 1981 to 1983 under the present contract has been a continuation of the investigation of a high temperature regenerable desulfurization process capable of reducing the sulfur content in coal gases from 200 ppM to 1 ppM. The overall objective has been the integration of a coal gasifier with a molten carbonate fuel cell, which requires that the sulfur content be below 1 ppM. Commercially available low temperature processes incur an excessive energy penalty. Results obtained with packed-bed and fluidized bed reactors have demonstrated that a CuO/ZnO mixed oxide sorbent is regenerable and capable of lowering the sulfur content (as H/sub 2/S and COS) from 200 ppM in simulated hot coal-derived gases to below 1 ppM level at 600 to 650/sup 0/C. Four potential sorbents (copper, tungsten oxide, vanadium oxide and zinc oxide) were initially selected for experimental use in hot regenerable desulfurization in the temperature range 500 to 650/sup 0/C. Based on engineering considerations, such as desulfurization capacity in per weight or volume of sorbents, a coprecipitated CuO/ZnO was selected for further study. A structural reorganization mechanism, unique to mixed oxides, was identified: the creation of relatively fine crystallites of the sulfided components (Cu/sub 2/S and ZnS) to counteract the loss of surface area due to sintering during regeneration. Studies with 9 to 26% water vapor in simulated coal gases show that sulfur levels below 1 ppM can be achieved in the temperature range of 500/sup 0/ to 650/sup 0/C. The ability of CuO/ZnO to remove COS, CS/sub 2/ and CH/sub 3/SH at these conditions has been demonstrated in this study. Also a previously proposed pore-plugging model was further developed with good success for data treatment of both packed bed and fluidized-bed reactors. 96 references, 42 figures, 21 tables.

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

    E-Print Network [OSTI]

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

    2012-04-04T23:59:59.000Z

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

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

    E-Print Network [OSTI]

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

    2012-01-01T23:59:59.000Z

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

  11. [Fundamental studies in oxidation-reduction in relation to water photolysis]. Final report, February 15, 1990--July 31, 1993

    SciTech Connect (OSTI)

    Hurst, J.K.

    1994-07-01T23:59:59.000Z

    Broad objectives are to improve the conceptual view of ways in which membranes and interfaces can be used to control chemical reactivity. Focus was on three elementary processes central to developing membrane-based integrated chemical systems for water photolysis or related photoconversion/photostorage processes. It was sought to identify the influence of interfaces on charge separation/recombination reactions, pathways for transmembrane charge separation across hydrocarbon bilayer membranes, and mechanisms of water oxidation catalyzed by transition metal coordination complexes. The supramolecular assemblies studied comprise primarily small unilamellar vesicles doped with amphiphilic viologens (N,N`dialkyl-4,4`-bipyridinium ions) which can function as transmembrane charge relays.

  12. SISGR-Fundamental Experimental and Theoretical Studies on a Novel Family of Oxide Catalyst Supports for Water Electrolysis

    SciTech Connect (OSTI)

    Kumta, Prashant [University of Pittsburgh

    2014-10-03T23:59:59.000Z

    Identification and development of non-noble metal based electro-catalysts or electro-catalysts with significant reduction of expensive noble metal contents (E.g. IrO2, Pt) with comparable electrochemical performance as the standard noble metal/metal oxide for proton exchange membrane (PEM) based water electrolysis would constitute a major breakthrough in the generation of hydrogen by water electrolysis. Accomplishing such a system would not only result reduction of the overall capital costs of PEM based water electrolyzers, but also help attain the targeted hydrogen production cost [< $ 3.0 / gallon gasoline equivalent (gge)] comparable to conventional liquid fuels. In line with these goals, it was demonstrated that fluorine doped IrO2 thin films and nanostructured high surface area powders display remarkably higher electrochemical activity, and comparable durability as pure IrO2 electro-catalyst for the oxygen evolution reaction (OER) in PEM based water electrolysis. Furthermore, corrosion resistant SnO2 and NbO2 support has been doped with F and coupled with IrO2 or RuO2 for use as an OER electro-catalyst. A solid solution of SnO2:F or NbO2:F with only 20 - 30 mol.% IrO2 or RuO2 yielding a rutile structure in the form of thin films and bulk nanoparticles displays similar electrochemical activity and stability as pure IrO2/RuO2. This would lead to more than 70 mol.% reduction in the noble metal oxide content. Novel nanostructured ternary (Ir,Sn,Nb)O2 thin films of different compositions FUNDAMENTAL STUDY OF NANOSTRUCTURED ELECTRO-CATALYSTS WITH REDUCED NOBLE METAL CONTENT FOR PEM BASED WATER ELECTROLYSIS 4 have also been studied. It has been shown that (Ir0.40Sn0.30Nb0.30)O2 shows similar electrochemical activity and enhanced chemical robustness as compared to pure IrO2. F doping of the ternary (Ir,Sn,Nb)O2 catalyst helps in further decreasing the noble metal oxide content of the catalyst. As a result, these reduced noble metal oxide catalyst systems would potentially be preferred as OER electro-catalysts for PEM electrolysis. The excellent performance of the catalysts coupled with its robustness would make them great candidates for contributing to significant reduction in the overall capital costs of PEM based water electrolyzers. This s.thesis provides a detailed fundamental study of the synthesis, materials, characterization, theoretical studies and detailed electrochemical response and potential mechanisms of these novel electro-catalysts for OER processes.

  13. Colloidally Synthesized Monodisperse Rh Nanoparticles Supported on SBA-15 for Size- and Pretreatment-Dependent Studies of CO Oxidation

    SciTech Connect (OSTI)

    Grass, Michael E.; Joo, Sang Hoon; Somorjai, Gabor A.

    2009-02-12T23:59:59.000Z

    A particle size dependence for CO oxidation over rhodium nanoparticles of 1.9-11.3 nm has been investigated and determined to be modified by the existence of the capping agent poly(vinylpyrrolidone) (PVP). The particles were prepared using a polyol reduction procedure with PVP as the capping agent. The Rh nanoparticles were subsequently supported on SBA-15 during hydrothermal synthesis to produce Rh/SBA-15 supported catalysts for size-dependent catalytic studies. CO oxidation by O{sub 2} at 40 Torr CO and 100 Torr O{sub 2} was investigated over two series of Rh/SBA-15 catalysts: as-synthesized Rh/SBA-15 covering the full range of Rh sizes and the same set of catalysts after high temperature calcination and reduction. The turnover frequency at 443 K increases from 0.4 to 1.7 s{sup -1} as the particle size decreases from 11.3 to 1.9 nm for the as-synthesized catalysts. After calcination and reduction, the turnover frequency is between 0.1 and 0.4 s{sup -1} with no particle size dependence. The apparent activation energy for all catalysts is {approx}30 kcal mol{sup -1} and is independent of particle size and thermal treatment. Infrared spectroscopy of CO on the Rh nanoparticles indicates that the heat treatments used influence the mode of CO adsorption. As a result, the particle size dependence for CO oxidation is altered after calcination and reduction of the catalysts. CO adsorbs at two distinct bridge sites on as-synthesized Rh/SBA-15, attributable to metallic Rh(0) and oxidized Rh(I) bridge sites. After calcination and reduction, however, CO adsorbs only at Rh(0) atop sites. The change in adsorption geometry and oxidation activity may be attributable to the interaction between PVP and the Rh surface. This capping agent affect may open new possibilities for the tailoring of metal catalysts using solution nanoparticle synthesis methods.

  14. Oxidation of propylene over copper oxide catalysts

    E-Print Network [OSTI]

    Billingsley, David Stuart

    1958-01-01T23:59:59.000Z

    results were obtained using an asbestos supported CuO-Cr203 catalyst. Venkataramam and his co-workers (66) studied the catalytic oxidation of ethylene to ethylene oxide by the fluidized bed technique using a static bed of catalyst. Precipitated Ag20... in the air-ethylene ratio to maintain good yields of ethylene oxide. Wan (68) reported the oxidation of ethylene to acetaldehyde by use of a silver catalyst in a 5/16 dnch inner diameter stainless steel tube with a catalyst bed up to 30. 3 centimeters...

  15. Study of oxygen reduction mechanism on Ag modified1 Sm1.8Ce0.2CuO4 cathode for solid oxide fuel cell2

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    to oxygen dissociation and diffusion process.26 KEYWORDS: Solid oxide fuel cell; Silver infiltrationStudy of oxygen reduction mechanism on Ag modified1 Sm1.8Ce0.2CuO4 cathode for solid oxide fuel cell2 3 4 Li-Ping Sun1 -- Hui Zhao1 -- Qiang Li1 -- Li-Hua Huo1 -- Jean-Paul Viricelle*2 --5 Christophe

  16. (Fundamental studies in oxidation-reduction in relation to water photolysis)

    SciTech Connect (OSTI)

    Hurst, J.K.

    1991-01-01T23:59:59.000Z

    Our research has been directed at understanding three elementary processes that are central to developing membrane-based integrated chemical systems for water photolysis. These are: (1) the role of interfaces in charge separation/recombination reactions, (2) pathways for transmembrane charge separation, and (3) mechanisms of water oxidation catalyzed by transition metal coordination complexes. Historically, the chemical dynamics of each of these processes has been poorly understood, with numerous unresolved issues and conflicting viewpoints appearing in the literature. Our experimental systems comprise primarily unilamellar vesicles that have been doped with amphiphilic viologens which function as transmembrane charge relays. These systems are experimentally highly tractable and versatile, are conceptually simple, and have been widely used in a variety of organized microphase media and prototypic devices. As such, they are ideal for identifying basic principles governing reactivity.

  17. Fundamental Studies of Irradiation-Induced Defect Formation and Fission Product Dynamics in Oxide Fuels

    SciTech Connect (OSTI)

    James Stubbins

    2012-12-19T23:59:59.000Z

    The objective of this research program is to address major nuclear fuels performance issues for the design and use of oxide-type fuels in the current and advanced nuclear reactor applications. Fuel performance is a major issue for extending fuel burn-up which has the added advantage of reducing the used fuel waste stream. It will also be a significant issue with respect to developing advanced fuel cycle processes where it may be possible to incorporate minor actinides in various fuel forms so that they can be 'burned' rather than join the used fuel waste stream. The potential to fission or transmute minor actinides and certain long-lived fission product isotopes would transform the high level waste storage strategy by removing the need to consider fuel storage on the millennium time scale.

  18. A Feasibility Study of Steelmaking by Molten Oxide Electrolysis (TRP9956)

    SciTech Connect (OSTI)

    Donald R. Sadoway; Gerbrand Ceder

    2009-12-31T23:59:59.000Z

    Molten oxide electrolysis (MOE) is an extreme form of molten salt electrolysis, a technology that has been used to produce tonnage metals for over 100 years - aluminum, magnesium, lithium, sodium and the rare earth metals specifically. The use of carbon-free anodes is the distinguishing factor in MOE compared to other molten salt electrolysis techniques. MOE is totally carbon-free and produces no CO or CO2 - only O2 gas at the anode. This project is directed at assessing the technical feasibility of MOE at the bench scale while determining optimum values of MOE operating parameters. An inert anode will be identified and its ability to sustain oxygen evalution will be demonstrated.

  19. Evaluation of Alternatives for Safer and More Efficient Reactions: A study of the N-oxidation of Alkylpyridines

    E-Print Network [OSTI]

    Saenz Noval, Lina Rocio

    2012-02-14T23:59:59.000Z

    The catalytic N-oxidation of alkylpyridines, a reaction which uses hydrogen peroxide as the oxidizing agent and the water soluble phosphotungstic acid as the catalyst, is a reaction employed in the pharmaceutical industry. The safety concerns...

  20. New nanocrystalline manganese oxides as cathode materials for lithium batteries : electron microscopy, electrochemical and X-ray absorption studies

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 New nanocrystalline manganese oxides as cathode materials for lithium batteries : electron: manganese oxide, lithium batteries, nanomaterials Corresponding author: Pierre Strobel, tel. 33 476 887 940 with lithium iodide in aqueous medium at room temperature. Transmission electron microscopy (TEM) showed

  1. Nuclear waste treatment - Studying the mixed ion type effects and concentration on the behaviour of oxide dispersions

    SciTech Connect (OSTI)

    Omokanye, Qanitalillahi; Biggs, Simon [Institute of Particle Science and Engineering, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2007-07-01T23:59:59.000Z

    In order to gain good control over a particulate dispersion it is necessary to accurately characterise the strength of inter-particle forces that may be operating. Such control is not routinely used, as yet, in the nuclear industry despite the possible benefits. We are investigating the impact of mixed electrolyte systems, for example NaCl and Na{sub 2}SO{sub 4}, on the stability of oxide simulant particle dispersions. The electro-acoustic zeta potentials and shear yield stresses for concentrated dispersions have been measured across a range of pH conditions and electrolyte concentrations (0.001 M - 1.0 M). This paper summarizes initial data from these studies showing how the shear yield stress of concentrated aqueous oxide particle dispersions, can be adjusted through regulation of pH and the addition of background electrolytes (salt). The yield stress as a function of pH for these dispersions in mixed electrolytes showed a direct correlation with corresponding measurements of the zeta potential. Changes in the background electrolyte concentration or type were seen to cause a shift in the position of the isoelectric point (iep). Measurements of the shear yield stress showed a maximum at the iep corresponding to the position of maximum instability in the suspension. The consequences of these data for the efficient treatment of solid-liquid systems will be discussed. (authors)

  2. Conformational and Structural Relaxations of Poly(ethylene oxide) and Poly(propylene oxide) Melts: Molecular Dynamics Study of Spatial Heterogeneity, Cooperativity, and Correlated Forward-Backward Motion

    E-Print Network [OSTI]

    Michael Vogel

    2007-10-30T23:59:59.000Z

    Performing molecular dynamics simulations for all-atom models, we characterize the conformational and structural relaxations of poly(ethylene oxide) and poly(propylene oxide) melts. The temperature dependence of these relaxation processes deviates from an Arrhenius law for both polymers. We demonstrate that mode-coupling theory captures some aspects of the glassy slowdown, but it does not enable a complete explanation of the dynamical behavior. When the temperature is decreased, spatially heterogeneous and cooperative translational dynamics are found to become more important for the structural relaxation. Moreover, the transitions between the conformational states cease to obey Poisson statistics. In particular, we show that, at sufficiently low temperatures, correlated forward-backward motion is an important aspect of the conformational relaxation, leading to strongly nonexponential distributions for the waiting times of the dihedrals in the various conformational states

  3. Modeling and Experimental Studies of Mercury Oxidation and Adsorption in a Fixed-Bed and Entrained-Flow Reactor

    SciTech Connect (OSTI)

    Buitrago, Paula A; Morrill, Mike; Lighty, JoAnn S; Silcox, Geoffrey D

    2014-08-20T23:59:59.000Z

    This report presents experimental and modeling mercury oxidation and adsorption data. Fixed-bed and single-particle models of mercury adsorption were developed. The experimental data were obtained with two reactors: a 300-W, methane-fired, tubular, quartz-lined reactor for studying homogeneous oxidation reactions and a fixed-bed reactor, also of quartz, for studying heterogeneous reactions. The latter was attached to the exit of the former to provide realistic combustion gases. The fixed-bed reactor contained one gram of coconut-shell carbon and remained at a temperature of 150oC. All methane, air, SO2, and halogen species were introduced through the burner to produce a radical pool representative of real combustion systems. A Tekran 2537A Analyzer coupled with a wet conditioning system provided speciated mercury concentrations. At 150?C and in the absence of HCl or HBr, the mercury uptake was about 20%. The addition of 50 ppm HCl caused complete capture of all elemental and oxidized mercury species. In the absence of halogens, SO2 increased the mercury adsorption efficiency to up to 30 percent. The extent of adsorption decreased with increasing SO2 concentration when halogens were present. Increasing the HCl concentration to 100 ppm lessened the effect of SO2. The fixed-bed model incorporates Langmuir adsorption kinetics and was developed to predict adsorption of elemental mercury and the effect of multiple flue gas components. This model neglects intraparticle diffusional resistances and is only applicable to pulverized carbon sorbents. It roughly describes experimental data from the literature. The current version includes the ability to account for competitive adsorption between mercury, SO2, and NO2. The single particle model simulates in-flight sorbent capture of elemental mercury. This model was developed to include Langmuir and Freundlich isotherms, rate equations, sorbent feed rate, and intraparticle diffusion. The Freundlich isotherm more accurately described in-flight mercury capture. Using these parameters, very little intraparticle diffusion was evident. Consistent with other data, smaller particles resulted in higher mercury uptake due to available surface area. Therefore, it is important to capture the particle size distribution in the model. At typical full-scale sorbent feed rates, the calculations underpredicted adsorption, suggesting that wall effects can account for as much as 50 percent of the removal, making it an important factor in entrained-mercury adsorption models.

  4. A neutron diffraction study of the magnetic structure for the perovskite-type mixed oxides La(Mn, Cr)03 and (La, Sr)Fe03

    E-Print Network [OSTI]

    Bents, Ulrich H.

    1956-01-01T23:59:59.000Z

    A NEUTRON DIFFRACTION STUDY OF THE MAGNETIC STRUCTURE FOR THE PEROVSKITE-TYPE MIXED OXIDES La(Mn,Cr)03 AND (La,Sr)Fe03 A Dissertation By ULRICH H. BENTS Submitted to the Graduate School of the Agricultural and Mechanical College of Texas... in partial fulfillment of the requirements for the degree of DOCTOR OF PHILOSOPHY May 1956 Major Subjectj Physics l i b r a r y l A i braayb?y r? ???l? A NEUTRON DIFFRACTION STUDY OF THE MAGNETIC STRUCTURE FOR THE PEROVSKITE-TYPE MIXED OXIDES La...

  5. Gas turbine cycles with solid oxide fuel cells. Part 2: A detailed study of a gas turbine cycle with an integrated internal reforming solid oxide fuel cell

    SciTech Connect (OSTI)

    Harvey, S.P.; Richter, H.J. (Dartmouth Coll., Hanover, NH (United States). Thayer School of Engineering)

    1994-12-01T23:59:59.000Z

    The energy conversion efficiency can be improved if immediate contact of air and fuel is prevented. One means to prevent this immediate contact is the use of fuel cell technology. High-temperature solid oxide fuel cells (SOFC) have many features that make them attractive for utility and industrial applications. However, in view of their high operating temperatures and the incomplete nature of the fuel oxidation process, such fuel cells must be combined with conventional power generation technology to develop power plant configurations that are both functional and efficient. Most fuel cell cycles proposed in the literature use a high-temperature fuel cell running at ambient pressure and a steam bottoming cycle to recover the waste heat generated by the fuel cell. With such cycles, the inherent flexibility and shorter start-up time characteristics of the fuel cell are lost. In Part 1 of this paper, a pressurized cycle using a solid oxide fuel cell and an integrated gas turbine bottoming cycle was presented. The cycle is simpler than most cycles with steam bottoming cycles and more suited to flexible power generation. In this paper, the authors will discuss this cycle in more detail, with an in-depth discussion of all cycle component characteristics and losses. In particular, they will make use of the fuel cell's internal fuel reforming capability. The optimal cycle parameters were obtained based on calculations performed using Aspen Technology's ASPEN PLUS process simulation software and a fuel cell simulator developed by Argonne National Laboratory. The efficiency of the proposed cycle is 68.1%. A preliminary economic assessment of the cycle shows that it should compare favorable with a state-of-the-art combined cycle plant on a cost per MWe basis.

  6. Chemistry of carbonaceous aerosols : studies of atmospheric processing and OH-initiated oxidation

    E-Print Network [OSTI]

    Johnson, Kirsten S. (Kirsten Sue)

    2008-01-01T23:59:59.000Z

    Carbonaceous aerosols are among the most prevalent yet least understood constituents of the atmosphere, particularly in urban environments. We have performed analyses of field samples and laboratory studies to probe the ...

  7. Photo-driven oxidation of water on ?-Fe{sub 2}O{sub 3} surfaces: An ab initio study

    SciTech Connect (OSTI)

    Nguyen, Manh-Thuong, E-mail: mtnguyen@ictp.it; Seriani, Nicola [The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste (Italy)] [The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste (Italy); Piccinin, Simone [CNR-IOM DEMOCRITOS, c/o SISSA, via Bonomea 265, 34136 Trieste (Italy)] [CNR-IOM DEMOCRITOS, c/o SISSA, via Bonomea 265, 34136 Trieste (Italy); Gebauer, Ralph [The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste, Italy and CNR-IOM DEMOCRITOS Simulation Center, 34136 Trieste (Italy)] [The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste, Italy and CNR-IOM DEMOCRITOS Simulation Center, 34136 Trieste (Italy)

    2014-02-14T23:59:59.000Z

    Adopting the theoretical scheme developed by the Nørskov group [see, for example, Nørskov et al., J. Phys. Chem. B 108, 17886 (2004)], we conducted a density functional theory study of photo-driven oxidation processes of water on various terminations of the clean hematite (?-Fe{sub 2}O{sub 3}) (0001) surface, explicitly taking into account the strong correlation among the 3d states of iron through the Hubbard U parameter. Six best-known terminations, namely, Fe ? Fe ?O{sub 3}? (we call S{sub 1}), O? Fe ? Fe ? (S{sub 2}), O{sub 2}? Fe ? Fe ?(S{sub 3}), O{sub 3}? Fe ? Fe ? (S{sub 4}), Fe ?O{sub 3}? Fe ? (S{sub 5}), and O? Fe ?O{sub 3}?(S{sub 6}), are first exposed to water, the stability of resulting surfaces is investigated under photoelectrochemical conditions by considering different chemical reactions (and their reaction free energies) that lead to surfaces covered by O atoms or/and OH groups. Assuming that the water splitting reaction is driven by the redox potential for photogenerated holes with respect to the normal hydrogen electrode, U{sub VB}, at voltage larger than U{sub VB}, most 3-oxygen terminated substrates are stable. These results thus suggest that the surface, hydroxylated in the dark, should release protons under illumination. Considering the surface free energy of all the possible terminations shows that O{sub 3}–S{sub 5} and O{sub 3}–S{sub 1} are the most thermodynamically stable. While water oxidation process on the former requires an overpotential of 1.22 V, only 0.84 V is needed on the latter.

  8. Comparative study of the reactions of metal oxides with H sub 2 S and SO sub 2

    SciTech Connect (OSTI)

    Sotirchos, S.V.

    1991-10-01T23:59:59.000Z

    The primary objective of this project is the investigation of the effects of pore structure on the capacity of porous metal oxides for removal of gaseous pollutants from flue gases of power plants (SO{sub 2}) and hot coal gas (primarily H{sub 2}A). Specifically, we intend to appropriately exploit the differences of the sulfidation and sulfation reactions (for instance, different molar volumes of solid products) to elucidate the dependence of the sorptive capacity of a porous sorbent on its physical microstructure. The following tasks have been identified in the proposed project: (1) Literature survey and identification of solids to be used in experimental studies. (2) Experimental study of the reaction of the chosen solids with SO{sub 2} and/or H{sub 2}S. (3) Experimental study of the evolution of the structure of the solids during reaction with SO{sub 2} and/or H{sub 2}S using pore structure analysis and effective diffusivity measurements. (4) Model testing and validation using the obtained experimental data.

  9. Comparative study of the reactions of metal oxides with H{sub 2}S and SO{sub 2}

    SciTech Connect (OSTI)

    Sotirchos, S.V.

    1992-12-31T23:59:59.000Z

    Primary objective was to investigate the effects of pore structure on capacity of porous metal oxides for removal of SO{sub 2} from power plant fuel gas and H{sub 2}S from hot coal gas. During this period, a comparative study was carried out on the direct reaction with H{sub 2}S and SO{sub 2} of the three limestones used as CaO precursors: Greer limestone, Georgia marble, and Iceland spar calcite. Sulfation was carried out at 750 and 850 C in a thermogravimetric analysis system under simulated high pressure (enough CO{sub 2} to prevent decomposition of CaCO{sub 3}). Results are presented as conversion vs time graphs. Mercury penetration and gas adsorption were used to analyze the structure. Activation energies and effective diffusivities were determined. A variable diffusivity shrinking-core model was used to analyze the data. In the future, this limestone study will be completed, and a study on supported CuO sorbent will be started.

  10. Comparative study of the reactions of metal oxides with H[sub 2]S and SO[sub 2

    SciTech Connect (OSTI)

    Sotirchos, S.V.

    1992-01-01T23:59:59.000Z

    Primary objective was to investigate the effects of pore structure on capacity of porous metal oxides for removal of SO[sub 2] from power plant fuel gas and H[sub 2]S from hot coal gas. During this period, a comparative study was carried out on the direct reaction with H[sub 2]S and SO[sub 2] of the three limestones used as CaO precursors: Greer limestone, Georgia marble, and Iceland spar calcite. Sulfation was carried out at 750 and 850 C in a thermogravimetric analysis system under simulated high pressure (enough CO[sub 2] to prevent decomposition of CaCO[sub 3]). Results are presented as conversion vs time graphs. Mercury penetration and gas adsorption were used to analyze the structure. Activation energies and effective diffusivities were determined. A variable diffusivity shrinking-core model was used to analyze the data. In the future, this limestone study will be completed, and a study on supported CuO sorbent will be started.

  11. Carbon contamination and oxidation of Au surfaces under extreme ultraviolet radiation: An x-ray photoelectron spectroscopy study

    E-Print Network [OSTI]

    Harilal, S. S.

    Carbon contamination and oxidation of Au surfaces under extreme ultraviolet radiation: An x 2012) Extreme ultraviolet (EUV) radiation-induced carbon contamination and oxidation of Au surfaces modification during EUV exposure. XPS analysis showed that total carbon contamination (C 1s peak

  12. Study of Heterogeneouse Processes Related to the Chemistry of Tropospheric Oxidants and Aerosols

    SciTech Connect (OSTI)

    Davidovits, Paul; Worsnop, D R; Jayne, J T; Colb, C E

    2013-02-13T23:59:59.000Z

    The objective of the studies was to elucidate the heterogeneous chemistry of tropospheric aerosols. Experiments were designed to measure both specifically needed parameters, and to obtain systematic data required to build a fundamental understanding of the nature of gas-surface physical and chemical interactions

  13. Study of mercury oxidation by a selective catalytic reduction catalyst in a pilot-scale slipstream reactor at a utility boiler burning bituminous coal

    SciTech Connect (OSTI)

    Yan Cao; Bobby Chen; Jiang Wu; Hong Cui; John Smith; Chi-Kuan Chen; Paul Chu; Wei-Ping Pan [Western Kentucky University, Bowling Green, KY (United States). Institute for Combustion Science and Environmental Technology (ICSET)

    2007-01-15T23:59:59.000Z

    One of the cost-effective mercury control technologies in coal-fired power plants is the enhanced oxidation of elemental mercury in selective catalytic reduction (SCR) followed by the capture of the oxidized mercury in the wet scrubber. This paper is the first in a series of two in which the validation of the SCR slipstream test and Hg speciation variation in runs with or without SCR catalysts inside the SCR slipstream reactor under special gas additions (HCl, Cl{sub 2}, SO{sub 2}, and SO{sub 3}) are presented. Tests indicate that the use of a catalyst in a SCR slipstream reactor can achieve greater than 90% NO reduction efficiency with a NH{sub 3}/NO ratio of about 1. There is no evidence to show that the reactor material affects mercury speciation. Both SCR catalysts used in this study exhibited a catalytic effect on the elemental mercury oxidation but had no apparent adsorption effect. SCR catalyst 2 seemed more sensitive to the operational temperature. The spike gas tests indicated that HCl can promote Hg{sup 0} oxidation but not Cl{sub 2}. The effect of Cl{sub 2} on mercury oxidation may be inhibited by higher concentrations of SO{sub 2}, NO, or H{sub 2}O in real flue-gas atmospheres within the typical SCR temperature range (300-350{sup o}C). SO{sub 2} seemed to inhibit mercury oxidation; however, SO{sub 3} may have some effect on the promotion of mercury oxidation in runs with or without SCR catalysts. 25 refs., 9 figs., 2 tabs.

  14. Study on Equilibrium Characteristics of Thorium-Plutonium-Minor Actinides Mixed Oxides Fuel in PWR

    SciTech Connect (OSTI)

    Waris, A.; Permana, S.; Kurniadi, R.; Su'ud, Z. [Bosscha Laboratory, Department of Physics, Nuclear Physics and Biophysics Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung (Indonesia); Sekimoto, H. [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology (Japan)

    2010-06-22T23:59:59.000Z

    A study on characteristics of thorium-plutonium-minor actinides utilization in the pressurized water reactor (PWR) with the equilibrium burnup model has been conducted. For a comprehensive evaluation, several fuel cycles scenario have been included in the present study with the variation of moderator-to-fuel volume ratio (MFR) of PWR core design. The results obviously exhibit that the neutron spectra grow to be harder with decreasing of the MFR. Moreover, the neutron spectra also turn into harder with the rising number of confined heavy nuclides. The required {sup 233}U concentration for criticality of reactor augments with the increasing of MFR for all heavy nuclides confinement and thorium and uranium confinement in PWR.

  15. The oxidation of ethylene glycol by Bacterium T-52: mutagenesis studies

    E-Print Network [OSTI]

    Smith, Frank Judson

    1976-01-01T23:59:59.000Z

    to continue my education. TABLE OF COUTEHTS IHTRODUCTIOI'7 I'RT P IALS ARD i&THUDS Bacterial strain. Culture media, Incubationo ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ Haintenence of cultures. Growth studies' ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ !iutagenesis.... IIATEHIALS AIID IMTHODS Bacterial strain. Bacterium T-52, ATCC 270I+2, was used in all experiments. The bacterium has been previously described (12). Culture media. A mineral salts basal medium was used in all experiments. The basal medium, referred...

  16. TEM Study on the Evolution of Ge Nanocrystals in Si Oxide Matrix as a Function of Ge Concentration and the Si Reduction Process

    E-Print Network [OSTI]

    Chew, Han Guan

    Growth and evolution of germanium (Ge) nanocrystals embedded into a silicon oxide (SiO?) system have been studied based on the Ge content of co-sputtered Ge-SiO? films using transmission electron microscopy (TEM) and X-ray ...

  17. Electron Microscopy Study of Novel Ru Doped La0.8Sr0.2CrO3 as Anode Materials for Solid Oxide Fuel Cells (SOFCs)

    E-Print Network [OSTI]

    Marks, Laurence D.

    Electron Microscopy Study of Novel Ru Doped La0.8Sr0.2CrO3 as Anode Materials for Solid Oxide Fuel Fuel Cells (SOFCs) have been the center of research activities with the goal of improving energy Cells (SOFCs) Y. Wang,* B. D. Madsen,* W. Kobsiriphat,* S.A. Barnett* and L.D. Marks* * Department

  18. On the role of residual Ag in nanoporous Au catalysts for CO oxidation: A combined micro-reactor and TAP reactor study

    E-Print Network [OSTI]

    Pfeifer, Holger

    On the role of residual Ag in nanoporous Au catalysts for CO oxidation: A combined micro-reactor and TAP reactor study L.C. Wang1 , H.J. Jin2 , D. Widmann1 , J. Weissmüller3 , R.J. Behm1 * 1 Institute and temporal analysis of products (TAP) reactor measurements, comparing four different NPG samples

  19. Ab Initio Study of the Interaction of Water with Cluster Models of the Aluminum Terminated (0001) r-Aluminum Oxide Surface

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    Ab Initio Study of the Interaction of Water with Cluster Models of the Aluminum Terminated (0001) r-Aluminum to hydroxylation of the aluminum terminated surface, the two water process was found to be the most exothermic, occurring within 10-2 s. I. Introduction As one of the most important ceramic materials, R-aluminum oxide

  20. Soft X-Ray Spectroscopic Study of Dense Strontium-Doped Lanthanum Manganite Cathodes for Solid Oxide Fuel Cell Applications

    SciTech Connect (OSTI)

    L Piper; A Preston; S Cho; A DeMasi; J Laverock; K Smith; L Miara; J Davis; S Basu; et al.

    2011-12-31T23:59:59.000Z

    The evolution of the Mn charge state, chemical composition, and electronic structure of La{sub 0.8}Sr{sub 0.2}MnO{sub 3} (LSMO) cathodes during the catalytic activation of solid oxide fuel cell (SOFC) has been studies using X-ray spectroscopy of as-processed, exposed, and activated dense thin LSMO films. Comparison of O K-edge and Mn L{sub 3,2}-edge X-ray absorption spectra from the different stages of LSMO cathodes revealed that the largest change after the activation occurred in the Mn charge state with little change in the oxygen environment. Core-level X-ray photoemission spectroscopy and Mn L{sub 3} resonant photoemission spectroscopy studies of exposed and as-processed LSMO determined that the SOFC environment (800 C ambient pressure of O{sub 2}) alone results in La deficiency (severest near the surface with Sr doping >0.55) and a stronger Mn{sup 4+} contribution, leading to the increased insulating character of the cathode prior to activation. Meanwhile, O K-edge X-ray absorption measurements support Sr/La enrichment nearer the surface, along with the formation of mixed Sr{sub x}Mn{sub y}O{sub z} and/or passive MnO{sub x} and SrO species.

  1. Study of thin metal films and oxide materials for nanoelectronics applications

    E-Print Network [OSTI]

    De Los Santos Valladares, Luis

    2012-01-10T23:59:59.000Z

    submitted for any other qualification than the degree of Doctor of Philosophy at the University of Cambridge. This Thesis does not exceed the limit of length prescribed in the Special Regulations of the PhD thesis (60,000 words in length, including tables... , footnotes, bibliography and appendices) for which I am a candidate. The length of this Thesis is approximately 45,000 words. Acknowledgements I am deeply grateful to my supervisor Crispin H.W. Barnes for his suggestions and discussions during my PhD studies...

  2. Copolymerization study of 1,2- and 1,4-cyclohexene oxide 

    E-Print Network [OSTI]

    Glaesmann, Orville Lee

    1972-01-01T23:59:59.000Z

    and the poor resolution of' the spectra. Polvmers contain ing cycl~? ~vyl rings are compl icated because of the stere~el emistry. The NNR spectra of the cis and trans is~mere of 1, 2-cyclohexanediol serving as model comnounds were helpful in this study... of cyclohexene was used to obtain the sensitivity of the unsaturated band to the methylene bend mode frequency at 1450 wavenumbers, The end group analysis can be summarized by point- ing out that the major end group is the chloride atom with hydroxyl...

  3. Micro structural studies of PVA doped with metal oxide nanocomposites films

    SciTech Connect (OSTI)

    Kumar, N. B. Rithin [Dept. of Physics, Srinivas School of Engineering, Mangalore-575025, Karnataka (India); Crasta, Vincent, E-mail: vcrasta@yahoo.com; Viju, F. [Dept. of Physics, St. Joseph Engineering College, Vamanjoor, Mangalore-575028, Karnataka (India); Praveen, B. M. [Dept. of Chemistry, Srinivas School of Engineering, Mangalore-575025, Karnataka (India); Shreeprakash, B. [Dept. of Mechanical Engineering, Srinivas School of Engineering, Mangalore-575025, Karnataka (India)

    2014-04-24T23:59:59.000Z

    Nanostructured PVA polymer composites are of rapidly growing interest because of their sized-coupled properties. The present article deals with both ZnO and WO{sub 3} embedded in a polyvinyl alcohol (PVA) matrix using a solvent casting method. These films were characterized using FTIR, XRD, and SEM techniques. The FTIR spectra of the doped PVA shows shift in the bands, which can be understood on the basis of intra/inter molecular hydrogen bonding with the adjacent OH group of PVA. The phase homogeneity and morphology of the polymer composites have been analyzed using scanning electron microscope (SEM). The crystal structure and crystallinity of polymer nanocomposites were studied by X-ray diffraction technique (XRD). Thus due to the interaction of dopant and complex formation, the structural repositioning takes place and crystallinity of the nanocomposites decreases.

  4. Study of the Nucleation and Growth of YBCO on Oxide Buffered Metallic Tapes

    SciTech Connect (OSTI)

    Solovyov, Vyacheslav

    2009-04-10T23:59:59.000Z

    The CRADA collaboration concentrated on developing the scientific understanding of the factors necessary for commercialization of high temperature superconductors (HTS) based on the YBCO coated conductor technology for electric power applications. The project pursued the following objectives: 1. Establish the correlations between the YBCO nuclei density and the properties of the CeO{sub 2} layer of the RABiTS{trademark} template; 2. Compare the nucleation and growth of e-beam and MOD based precursors on the buffered RABiTS{trademark} templates and clarify the materials science behind the difference; and 3. Explore routes for the optimization of the nucleation and growth of thick film MOD precursors in order to achieve high critical current densities in thick films. The CRADA work proceeded in two steps: 1. Detailed characterization of epitaxial ceria layers on “model” substrates, such as (001) YSZ and on RABiTS tapes; and 2. Study of YBCO nucleation on well-defined substrates and on long-length RABiTS.

  5. Theoretical study of defect formation during the initial stages of native-oxide growth on GaSb (001)

    SciTech Connect (OSTI)

    Bermudez, V. M., E-mail: victor.bermudez@nrl.navy.mil [Electronics Science and Technology Division, U.S. Naval Research Laboratory, Washington, DC 20375 (United States)

    2014-04-07T23:59:59.000Z

    The formation of defects during the initial stages of native-oxide growth on the GaSb (001)-?(4?×?3) surface has been studied computationally using spin-unrestricted density functional theory. It is found that insertion into a Ga-Sb adatom dimer to form a peroxo Ga-O-O-Sb bridge is the most energetically favorable process with insertion into Ga-Sb back-bonds being somewhat less so. A Ga-O-O-Ga bridge between dimers is also favorable, but Sb-O-O-Sb bridges show little if any stability. In the course of analyzing molecular adsorption, a particularly reactive site has been identified that leads to O{sub 2} dissociation with little or no barrier. This process is initiated in the vicinity of an Sb-Sb dimer in the terminating layer and leads to sub-surface Ga and Sb defect sites (i.e., coordinatively unsaturated atoms) and to strained Ga-Sb bonds that may be susceptible to further O{sub 2} attack. However, the defects formed in these reactions do not produce states in the gap.

  6. In-situ X-ray photoelectron spectroscopy studies of water on metals and oxides at ambient conditions

    SciTech Connect (OSTI)

    Salmeron, Miquel; Yamamoto, S.; Bluhm, H.; Andersson, K.; Ketteler, G.; Ogasawara, H.; Salmeron, M.; Nilsson, A.

    2007-10-29T23:59:59.000Z

    X-ray photoelectron spectroscopy (XPS) is a powerful tool for surface and interface analysis, providing the elemental composition of surfaces and the local chemical environment of adsorbed species. Conventional XPS experiments have been limited to ultrahigh vacuum (UHV) conditions due to a short mean free path of electrons in a gas phase. The recent advances in instrumentation coupled with third-generation synchrotron radiation sources enables in-situ XPS measurements at pressures above 5 Torr. In this review, we describe the basic design of the ambient pressure XPS setup that combines differential pumping with an electrostatic focusing. We present examples of the application of in-situ XPS to studies of water adsorption on the surface of metals and oxides including Cu(110), Cu(111), TiO2(110) under environmental conditions of water vapor pressure. On all these surfaces we observe a general trend where hydroxyl groups form first, followed by molecular water adsorption. The importance of surface OH groups and their hydrogen bonding to water molecules in water adsorption on surfaces is discussed in detail.

  7. MICROBEAM SYNCHROTRON RADIATION DIFFRACTION AND FLUORESCENCE STUDY OF OXIDE LAYERS FORMED ON 9Cr ODS STEEL IN

    E-Print Network [OSTI]

    Motta, Arthur T.

    ODS STEEL IN SUPERCRITICAL WATER Arthur T. Motta1 , Andrew D. Siwy1 , Jamie M. Kunkle1 , Jeremy B is presented for an oxide formed on 9Cr ODS steel after exposure to supercritical water for 667 hours

  8. Graphene oxide oxidizes stannous ions to synthesize tin sulfidegraphene nanocomposites with small crystal size for high performance lithium ion

    E-Print Network [OSTI]

    Cao, Guozhong

    Graphene oxide oxidizes stannous ions to synthesize tin sulfide­graphene nanocomposites with small September 2012 DOI: 10.1039/c2jm34864k This study reports a novel strategy of preparing graphene composites by employing graphene oxide as precursor and oxidizer. It is demonstrated that graphene oxide can oxidize

  9. Computation Results from a Parametric Study to Determine Bounding Critical Systems of Homogeneously Water-Moderated Mixed Plutonium--Uranium Oxides

    SciTech Connect (OSTI)

    Shimizu, Y.

    2001-01-11T23:59:59.000Z

    This report provides computational results of an extensive study to examine the following: (1) infinite media neutron-multiplication factors; (2) material bucklings; (3) bounding infinite media critical concentrations; (4) bounding finite critical dimensions of water-reflected and homogeneously water-moderated one-dimensional systems (i.e., spheres, cylinders of infinite length, and slabs that are infinite in two dimensions) that were comprised of various proportions and densities of plutonium oxides and uranium oxides, each having various isotopic compositions; and (5) sensitivity coefficients of delta k-eff with respect to critical geometry delta dimensions were determined for each of the three geometries that were studied. The study was undertaken to support the development of a standard that is sponsored by the International Standards Organization (ISO) under Technical Committee 85, Nuclear Energy (TC 85)--Subcommittee 5, Nuclear Fuel Technology (SC 5)--Working Group 8, Standardization of Calculations, Procedures and Practices Related to Criticality Safety (WG 8). The designation and title of the ISO TC 85/SC 5/WG 8 standard working draft is WD 14941, ''Nuclear energy--Fissile materials--Nuclear criticality control and safety of plutonium-uranium oxide fuel mixtures outside of reactors.'' Various ISO member participants performed similar computational studies using their indigenous computational codes to provide comparative results for analysis in the development of the standard.

  10. The growth of epitaxial iron oxides on platinum (111) as studied by X-ray photoelectron diffraction, scanning tunneling microscopy, and low energy electron diffraction

    SciTech Connect (OSTI)

    Kim, Y.J.

    1995-05-01T23:59:59.000Z

    Three complementary surface structure probes, x-ray photoelectron diffraction (XPD), scanning tunneling microscopy (STM), and low-energy electron diffraction (LEED) have been combined in a single instrument. This experimental system has been utilized to study the structure and growth mechanisms of iron oxide films on Pt(111); these films were formed by first depositing a single overlayer of Fe with a certain coverage in monolayers (ML`s), and then thermally oxidizing it in an oxygen atmosphere. For films up to {approximately}1 ML in thickness, a bilayer of Fe and O similar to those in FeO(111) is found to form. In agreement with prior studies, STM and LEED show this to be an incommensurate oxide film forming a lateral superlattice with short- and long-range periodicities of {approximately}3.1 {Angstrom} and {approximately}26.0 {Angstrom}. XPD in addition shows a topmost oxygen layer to be relaxed inward by -0.6 {Angstrom} compared to bulk FeO(111), and these are new structural conclusions. The oxygen stacking in the FeO(111) bilayer is dominated by one of two possible binding sites. For thicker iron oxide films from 1.25 ML to 3.0 ML, the growth mode is essentially Stranski-Krastanov: iron oxide islands form on top of the FeO(111) bilayer mentioned above. For iron oxide films of 3.0 ML thickness, x-ray photoelectron spectroscopy (XPS) yields an Fe 2p{sub 3/2} binding energy and an Fe:O stoichiometry consistent with the presence of Fe{sub 3}O{sub 4}. Our XPD data further prove this overlayer to be Fe{sub 3}O{sub 4}(111)-magnetite in two almost equally populated domains with a 180{degrees} rotation between them. The structural parameters for this Fe{sub 3}O{sub 4} overlayer generally agree with those of a previous LEED study, except that we find a significant difference in the first Fe-O interplanar spacing. This work demonstrates the considerable benefits to be derived by using this set of complementary surface structure probes in such epitaxial growth studies.

  11. X-ray absorption spectroscopy study of the local structure of heavy metal ions incorporated into electrodeposited nickel oxide films

    SciTech Connect (OSTI)

    Balasubramanian, M.; Melendres, C.A. [Argonne National Lab., IL (United States). Chemical Technology Div.] [Argonne National Lab., IL (United States). Chemical Technology Div.; Mansour, A.N. [Naval Surface Warfare Center, Bethesda, MD (United States). Carderock Div.] [Naval Surface Warfare Center, Bethesda, MD (United States). Carderock Div.

    1999-02-01T23:59:59.000Z

    The incorporation of heavy metal ions into simulated corrosion films has been investigated using spectroscopic and electrochemical techniques. The films were formed by electrodeposition of the appropriate oxide (hydroxide) onto a graphite substrate. Synchrotron X-ray absorption spectroscopy (XAS) was used to determine the structure and composition of the host oxide film, as well as the local structure of the impurity ion. Results on the incorporation of Ce and Sr into surface films of Ni(OH){sub 2} and NiOOH are reported. Cathodically deposited Ni(OH){sub 2} was found to be mainly in the alpha form while anodically prepared NiOOH showed the presence of Ni{sup +2} and Ni{sup +4}. Cerium incorporated into Ni(OH){sub 2} exists as mixed Ce{sup +3} and Ce{sup +4} phases; a Ce{sup +4} species was found when Ce was codeposited with NiOOH. The structure of the Ce{sup +4} phase in anodic films appears similar to a Ce(OH){sub 4} standard. However, XAS, X-ray diffraction, and laser Raman measurements indicate that the latter chemical formulation is probably incorrect and that the material is really a disordered form of hydrous cerium oxide. The local structure of this material is similar to CeO{sub 2} but has much higher structural disorder. The significance of this finding on the question of the structure of Ce-based corrosion inhibitors in aluminum oxide films is pointed out. Moreover, the authors found it possible to form pure Ce oxide (hydroxide) films on graphite by both cathodic and anodic electrodeposition; their structures have also been elucidated. Strontium incorporated into nickel oxide films consists of Sr{sup +2} which is coordinated to oxygen atoms and is likely to exist as small domains of coprecipitated material.

  12. Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoOx

    E-Print Network [OSTI]

    van Duin, Adri

    report the use of ReaxFF to study the activation and conversion of propene to acrolein by various metal acrolein. The propene reations on V2O5 occur at lower temperatures than on Bi2O3 or Bi2Mo3O12. The results-metal­ oxide (MMO) catalysts, accounts for the majority of the 8 billion pounds of acrolein produced annually

  13. Experimental and theoretical studies of reactions of neutral vanadium and tantalum oxide clusters with NO and NH3

    E-Print Network [OSTI]

    Rocca, Jorge J.

    molecules on the respective clusters. A gas mixture of NO:NH3 9:1 is also added into the fast flow reactor oxide clusters with NO, NH3, and an NO/NH3 mixture in a fast flow reactor are investigated by time, a complete elucidation of the reaction mechanism has not been achieved, and very few, if any, gas phase

  14. Pressure-Volume-Temperature Studies of Metal-Oxide Pairs [1] Cottrell E. et al. (2007) This meeting.

    E-Print Network [OSTI]

    Campbell, Andrew

    2007-01-01T23:59:59.000Z

    for the two phases. fO2 Buffers at High Pressure For the general metal-oxide reaction M + x/2 O2 = MOx, the fO2 is related to the Gibbs energies (G) by x/2 RT ln fO2 = G(MOx) ­ G(M). The pressure effect

  15. An aqueous route to [Ta6O19]8- and solid-state studies of isostructural niobium and tantalum oxide complexes.

    SciTech Connect (OSTI)

    Nyman, May D.; Anderson, Travis Mark [Sandia National Laboratories, Albuquerque, NM; Alam, Todd M. [Sandia National Laboratories, Albuquerque, NM; Rodriguez, Mark Andrew [Sandia National Laboratories, Albuquerque, NM; Joel N. Bixler; Francois Bonhomme

    2007-10-01T23:59:59.000Z

    Tantalate materials play a vital role in our high technology society: tantalum capacitors are found in virtually every cell phone. Furthermore, electronic characteristics and the incredibly inert nature of tantalates renders them ideal for applications such as biomedical implants, nuclear waste forms, ferroelectrics, piezoelectrics, photocatalysts and optical coatings. The inert and insoluble nature of tantalates is not fundamentally understood; and furthermore poor solubility renders fabrication of novel or optimized tantalates very difficult. We have developed a soft chemical route to water-soluble tantalum oxide clusters that can serve as both precursors for novel tantalate materials and ideal models for experimental and computational approaches to understanding the unusually inert behavior of tantalates. The water soluble cluster, [Ta6O19]8- is small, highly symmetric, and contains the representative oxygen types of a metal oxide surface, and thus ideally mimics a complex tantalate surface in a simplistic form that can be studied unambiguously. Furthermore; in aqueous solution, these highly charged and super-basic clusters orchestrate surprising acid-base behavior that most likely plays an important role in the inertness of related oxide surfaces. Our unique synthetic approach to the [Ta6O19]8- cluster allowed for unprecedented enrichment with isotopic labels (17O), enabling detailed kinetic and mechanistic studies of the behavior of cluster oxygens, as well as their acid-base behavior. This SAND report is a collection of two publications that resulted from these efforts.

  16. Soft X-Ray Spectroscopic Study of Dense Strontium-Doped Lanthanum Manganite Cathodes for Solid Oxide Fuel Cell Applications

    SciTech Connect (OSTI)

    Piper, L.F.J.; Preston, Andrew R.H.; Cho, Sang Wan; DeMasi, Alexander; Chen, Bin; Laverock, J.; Smith, K. E.; Miara, Lincoln J.; Davis, Jacob N.; Basu, Soumendra; Pal, Uday B.; Gopalan, Srikanth; Saraf, Laxmikant V.; Kaspar, Tiffany C.; Matsuura, A. Y.; Glans, P.A.; Guo, Jianzhong

    2010-12-02T23:59:59.000Z

    The modification of the Mn charge-state, chemical composition and electronic structure of La0.8Sr0.2MnO3 (LSMO) cathodes for solid oxide fuel cell (SOFC) applications remains an area of interest, due to the poorly understood enhanced catalytic activity (often referred to as the "burn-in" phenomenon) observed after many hours of operation. Using a combination of core-level X-ray photoemission spectroscopy (XPS), X-ray emission/absorption spectroscopy (XES/XAS), resonant inelastic X-ray scattering (RIXS) and resonant photoemission spectroscopy (RPES), we have monitored the evolution of these properties in LSMO at various stages of fabrication and operation. By rapidly quenching and sealing in vacuum, we were able to directly compare the pristine (as-fabricated) LSMO with both "heat-treated" (800°C in air, and no bias) and "burnt-in" (800°C in air, -1 V bias) LSMO cathodes i.e. before and after the activation observed in our electrochemical impendence spectroscopy measurements. Comparison between the O K-edge XAS/XES and Mn L3,2-edge XAS of pristine and “burnt-in” LSMO cathodes revealed a severe change in the oxygen environment along with a reduced Mn2+ presence near the surface following activation. The change in the oxygen environment is attributed to SrxMnyOz formation, along with possible passive SrO and Mn3O4 species. We present evidence from our “heat-treated” samples that SrxMnyOz regions form at elevated temperatures in air before the application of a cathodic bias. Our core-level XPS, Mn L3,2-edge RIXS and Mn L3 RPES studies of “heat-treated” and pristine LSMO determined that SOFC environments result in La-deficiency (severest near the surface) and stronger Mn4+ contribution, leading to the increased insulating character of the cathode prior to activation. The passive Mn2+ species near the surface and increased hole-doping (>0.6) of the LSMO upon exposure to the operating environment are considered responsible for the initially poor performance of the SOFC. Meanwhile, the improved oxygen reduction following the application of a cathodic bias is considered to be due to enhanced bulk oxygen-ion diffusion resulting from the migration of Mn2+ ions towards the LSMO/electrolyte interface and the SrxMnyOz regions facilitating enhanced bulk oxygen reduction reaction kinetics.

  17. Infrared study on room-temperature atomic layer deposition of HfO{sub 2} using tetrakis(ethylmethylamino)hafnium and remote plasma-excited oxidizing agents

    SciTech Connect (OSTI)

    Kanomata, Kensaku [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510, Japan and Japan Society for the Promotion of Science, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083 (Japan); Ohba, Hisashi; Pungboon Pansila, P.; Ahmmad, Bashir; Kubota, Shigeru; Hirahara, Kazuhiro; Hirose, Fumihiko, E-mail: fhirose@yz.yamagata-u.ac.jp [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan)

    2015-01-01T23:59:59.000Z

    Room-temperature atomic layer deposition (ALD) of HfO{sub 2} was examined using tetrakis (ethylmethylamino)hafnium (TEMAH) and remote plasma-excited water and oxygen. A growth rate of 0.26?nm/cycle at room temperature was achieved, and the TEMAH adsorption and its oxidization on HfO{sub 2} were investigated by multiple internal reflection infrared absorption spectroscopy. It was observed that saturated adsorption of TEMAH occurs at exposures of ?1?×?10{sup 5}?L (1 L?=?1?×?10{sup ?6} Torr s) at room temperature, and the use of remote plasma-excited water and oxygen vapor is effective in oxidizing the TEMAH molecules on the HfO{sub 2} surface, to produce OH sites. The infrared study suggested that Hf–OH plays a role as an adsorption site for TEMAH. The reaction mechanism of room temperature HfO{sub 2} ALD is discussed in this paper.

  18. Dynamics of $(2+1)$-dimensional SOS surfaces above a wall: Slow mixing induced by entropic repulsion

    E-Print Network [OSTI]

    Pietro Caputo; Eyal Lubetzky; Fabio Martinelli; Allan Sly; Fabio Lucio Toninelli

    2014-07-24T23:59:59.000Z

    We study the Glauber dynamics for the $(2+1)\\mathrm{D}$ Solid-On-Solid model above a hard wall and below a far away ceiling, on an $L\\times L$ box of $\\mathbb{Z}^2$ with zero boundary conditions, at large inverse-temperature $\\beta$. It was shown by Bricmont, El Mellouki and Fr\\"{o}hlich [J. Stat. Phys. 42 (1986) 743-798] that the floor constraint induces an entropic repulsion effect which lifts the surface to an average height $H\\asymp(1/\\beta)\\log L$. As an essential step in understanding the effect of entropic repulsion on the Glauber dynamics we determine the equilibrium height $H$ to within an additive constant: $H=(1/4\\beta)\\log L+O(1)$. We then show that starting from zero initial conditions the surface rises to its final height $H$ through a sequence of metastable transitions between consecutive levels. The time for a transition from height $h=aH$, $a\\in(0,1)$, to height $h+1$ is roughly $\\exp(cL^a)$ for some constant $c>0$. In particular, the mixing time of the dynamics is exponentially large in $L$, that is, $T_{\\mathrm{MIX}}\\geq e^{cL}$. We also provide the matching upper bound $T_{\\mathrm{MIX}}\\leq e^{c'L}$, requiring a challenging analysis of the statistics of height contours at low temperature and new coupling ideas and techniques. Finally, to emphasize the role of entropic repulsion we show that without a floor constraint at height zero the mixing time is no longer exponentially large in $L$.

  19. Forest and Soil Ecosystem Services SOS 4932/SOS 6932

    E-Print Network [OSTI]

    Ma, Lena

    life. These services include carbon sequestration, biodiversity, stabilization of hydrologic cycles treatment, biological filtering, plant remediation) b. Air quality c. Nutrient Cycling d. Carbon Sequestration Topic 6 ­ Biologically related Forest and Soil ESs (November 10 to November 19) a. Biodiversity

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

    SciTech Connect (OSTI)

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

    1994-03-15T23:59:59.000Z

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

  1. Kinetic and equilibrium studies of acrylonitrile binding to cytochrome c peroxidase and oxidation of acrylonitrile by cytochrome c peroxidase compound I

    SciTech Connect (OSTI)

    Chinchilla, Diana, E-mail: Diana_Chinchilla@yahoo.com; Kilheeney, Heather, E-mail: raindropszoo@yahoo.com; Vitello, Lidia B., E-mail: lvitello@niu.edu; Erman, James E., E-mail: jerman@niu.edu

    2014-01-03T23:59:59.000Z

    Highlights: •Cytochrome c peroxidase (CcP) binds acrylonitrile in a pH-independent fashion. •The spectrum of the CcP/acrylonitrile complex is that of a 6c–ls ferric heme. •The acrylonitrile/CcP complex has a K{sub D} value of 1.1 ± 0.2 M. •CcP compound I oxidizes acrylonitrile with a maximum turnover rate of 0.61 min{sup ?1}. -- Abstract: Ferric heme proteins bind weakly basic ligands and the binding affinity is often pH dependent due to protonation of the ligand as well as the protein. In an effort to find a small, neutral ligand without significant acid/base properties to probe ligand binding reactions in ferric heme proteins we were led to consider the organonitriles. Although organonitriles are known to bind to transition metals, we have been unable to find any prior studies of nitrile binding to heme proteins. In this communication we report on the equilibrium and kinetic properties of acrylonitrile binding to cytochrome c peroxidase (CcP) as well as the oxidation of acrylonitrile by CcP compound I. Acrylonitrile binding to CcP is independent of pH between pH 4 and 8. The association and dissociation rate constants are 0.32 ± 0.16 M{sup ?1} s{sup ?1} and 0.34 ± 0.15 s{sup ?1}, respectively, and the independently measured equilibrium dissociation constant for the complex is 1.1 ± 0.2 M. We have demonstrated for the first time that acrylonitrile can bind to a ferric heme protein. The binding mechanism appears to be a simple, one-step association of the ligand with the heme iron. We have also demonstrated that CcP can catalyze the oxidation of acrylonitrile, most likely to 2-cyanoethylene oxide in a “peroxygenase”-type reaction, with rates that are similar to rat liver microsomal cytochrome P450-catalyzed oxidation of acrylonitrile in the monooxygenase reaction. CcP compound I oxidizes acrylonitrile with a maximum turnover number of 0.61 min{sup ?1} at pH 6.0.

  2. An In-Situ XAS Study of the Structural Changes in a CuO-CeO2/Al2O3 Catalyst during Total Oxidation of Propane

    SciTech Connect (OSTI)

    Silversmith, Geert; Poelman, Hilde; Poelman, Dirk; Gryse, Roger de [Ghent University, Department of Solid State Sciences, Krijgslaan 281 S1, B-9000 Gent (Belgium); Olea, Maria; Balcaen, Veerle; Heynderickx, Philippe; Marin, Guy B. [Ghent University, Laboratorium voor Petrochemische Techniek, Krijgslaan 281 S5, B-9000 Gent (Belgium)

    2007-02-02T23:59:59.000Z

    A CuOx-CeOx/Al2O3 catalyst was studied with in-situ transmission Cu K XAS for the total oxidation of propane as model reaction for the catalytic elimination of volatile organic compounds. The local Cu structure was determined for the catalyst as such, after pre-oxidation and after reduction with propane. The catalyst as such has a local CuO structure. No structural effect was observed upon heating in He up to 600 deg. C or after pre-oxidation at 150 deg. C. A full reduction of the Cu2+ towards metallic Cu0 occurred, when propane was fed to the catalyst. The change in local Cu structure during propane reduction was followed with a time resolution of 1 min. The {chi}(k) scans appeared as linear combinations of start and end spectra, CuO and Cu structure, respectively. However, careful examination of the XANES edge spectra indicates the presence of a small amount of additional Cu1+ species.

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

    SciTech Connect (OSTI)

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

    2014-07-01T23:59:59.000Z

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

  4. Comparative study of the reactions of metal oxides and carbonates with H{sub 2}S and SO{sub 2}. Final technical report, September 1990--February 1994

    SciTech Connect (OSTI)

    Sotirchos, S.V.

    1994-03-01T23:59:59.000Z

    The primary objective of this project had been the investigation of the effects of pore structure on the capacity of porous metal oxides for removal of gaseous pollutants from flue gases of power plants (SO{sub 2}) and hot coal gas (primarily H{sub 2}S). Porous calcines obtained from natural precursors (limestones and dolomites) and sorbents based on zinc oxide were used as model systems in our experimental studies, which included reactivity evolution experiments and pore structure characterization using a variety of methods. The key idea behind this project was to appropriately exploit the differences of the sulfidation and sulfation reactions (for instance, different molar volumes of solid products) to elucidate the dependence of the sorptive capacity of a porous sorbent on its physical microstructure. In order to be able to proceed faster and more productively on the analysis of the above defined problem, it was decided to employ in our studies solids whose reaction with SO{sub 2} (limestone calcines) or H{sub 2}S (sorbents based on zinc oxide) had been investigated in detail in past studies by our research group. Reactivity vs time or conversion vs time studies were conducted using thermogravimetry and fixed-bed and fluidized-bed reactors. The pore structure of partially reacted samples collected at selected time instants or conversion levels was analyzed by gas adsorption and mercury porosimetry. For better characterization of the pore structure of the solid samples, we also carried out intraparticle diffusivity measurements by the peak-broadening (chromatographic) method, using a system developed for this purpose in our laboratory. In the context of this part of the project, we also conducted a detailed theoretical investigation of the measurement of effective diffusivities in porous solids using the diffusion-cell method.

  5. Laboratory Studies of Processing of Carbonaceous Aerosols by Atmospheric Oxidants/Hygroscopicity and CCN Activity of Secondary & Processed Primary Organic Aerosols

    SciTech Connect (OSTI)

    Ziemann, P.J.; Arey, J.; Atkinson, R.; Kreidenweis, S.M.; Petters, M.D.

    2012-06-13T23:59:59.000Z

    The atmosphere is composed of a complex mixture of gases and suspended microscopic aerosol particles. The ability of these particles to take up water (hygroscopicity) and to act as nuclei for cloud droplet formation significantly impacts aerosol light scattering and absorption, and cloud formation, thereby influencing air quality, visibility, and climate in important ways. A substantial, yet poorly characterized component of the atmospheric aerosol is organic matter. Its major sources are direct emissions from combustion processes, which are referred to as primary organic aerosol (POA), or in situ processes in which volatile organic compounds (VOCs) are oxidized in the atmosphere to low volatility reaction products that subsequent condense to form particles that are referred to as secondary organic aerosol (SOA). POA and VOCs are emitted to the atmosphere from both anthropogenic and natural (biogenic) sources. The overall goal of this experimental research project was to conduct laboratory studies under simulated atmospheric conditions to investigate the effects of the chemical composition of organic aerosol particles on their hygroscopicity and cloud condensation nucleation (CCN) activity, in order to develop quantitative relationships that could be used to more accurately incorporate aerosol-cloud interactions into regional and global atmospheric models. More specifically, the project aimed to determine the products, mechanisms, and rates of chemical reactions involved in the processing of organic aerosol particles by atmospheric oxidants and to investigate the relationships between the chemical composition of organic particles (as represented by molecule sizes and the specific functional groups that are present) and the hygroscopicity and CCN activity of oxidized POA and SOA formed from the oxidation of the major classes of anthropogenic and biogenic VOCs that are emitted to the atmosphere, as well as model hydrocarbons. The general approach for this project was to carry out reactions of representative anthropogenic and biogenic VOCs and organic particles with ozone (O3), and hydroxyl (OH), nitrate (NO3), and chlorine (Cl) radicals, which are the major atmospheric oxidants, under simulated atmospheric conditions in large-volume environmental chambers. A combination of on-line and off-line analytical techniques were used to monitor the chemical and physical properties of the particles including their hygroscopicity and CCN activity. The results of the studies were used to (1) improve scientific understanding of the relationships between the chemical composition of organic particles and their hygroscopicity and CCN activity, (2) develop an improved molecular level theoretical framework for describing these relationships, and (3) establish a large database that is being used to develop parameterizations relating organic aerosol chemical properties and SOA sources to particle hygroscopicity and CCN activity for use in regional and global atmospheric air quality and climate models.

  6. National Energy Technology Laboratory Publishes Solid Oxide Fuel...

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

    National Energy Technology Laboratory Publishes Solid Oxide Fuel Cell Studies What does this project do? For more information on DOE's efforts to make solid oxide fuel cells an...

  7. Phosphine oxide derivatives as hosts for blue phosphors: A joint...

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

    oxide derivatives as hosts for blue phosphors: A joint theoretical and experimental study of their electronic Phosphine oxide derivatives as hosts for blue phosphors: A joint...

  8. Oxidative Dissolution of UO2 in a Simulated Groundwater Containing...

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

    under oxic conditions. Field and laboratory studies have implicated iron sulfide minerals as redox buffers or oxidant scavengers that may slow oxidation of reduced U(VI) solid...

  9. Low and intermediate temperature oxidation of ethanol and ethanol-PRF blends: An experimental and modeling study

    SciTech Connect (OSTI)

    Haas, Francis M.; Chaos, Marcos; Dryer, Frederick L. [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544 (United States)

    2009-12-15T23:59:59.000Z

    In this brief communication, we present new experimental species profile measurements for the low and intermediate temperature oxidation of ethanol under knock-prone conditions. These experiments show that ethanol exhibits no global low temperature reactivity at these conditions, although we note the heterogeneous decomposition of ethanol to ethylene and water. Similar behavior is reported for an E85 blend in n-heptane. Kinetic modeling results are presented to complement these experiments and elucidate the interaction of ethanol and primary reference fuels undergoing cooxidation. (author)

  10. Study of gate oxide traps in HfO[subscript 2]/AlGaN/GaN metal-oxide-semiconductor high-electron-mobility transistors by use of ac transconductance method

    E-Print Network [OSTI]

    Sun, X.

    We introduce an ac-transconductance method to profile the gate oxide traps in a HfO[subscript 2] gated AlGaN/GaN Metal-Oxide-Semiconductor High-Electron-Mobility Transistors (MOS-HEMTs) that can exchange carriers with metal ...

  11. Oxidation catalyst

    DOE Patents [OSTI]

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

    2010-11-09T23:59:59.000Z

    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.

  12. Sponge-like Si-SiO{sub 2} nanocomposite—Morphology studies of spinodally decomposed silicon-rich oxide

    SciTech Connect (OSTI)

    Friedrich, D.; Schmidt, B.; Heinig, K. H.; Liedke, B.; Mücklich, A.; Hübner, R. [Helmholtz-Zentrum Dresden – Rossendorf, Bautzner Landstr. 400, 01328 Dresden (Germany)] [Helmholtz-Zentrum Dresden – Rossendorf, Bautzner Landstr. 400, 01328 Dresden (Germany); Wolf, D. [Triebenberg Laboratory, Institute of Structure Physics, Technische Universität Dresden, 01062 Dresden (Germany)] [Triebenberg Laboratory, Institute of Structure Physics, Technische Universität Dresden, 01062 Dresden (Germany); Kölling, S. [Fraunhofer Center Nanoelectronic Technologies, Königsbrücker Str. 180, 01099 Dresden (Germany)] [Fraunhofer Center Nanoelectronic Technologies, Königsbrücker Str. 180, 01099 Dresden (Germany); Mikolajick, T. [NaMLab GmbH, Nöthnitzer Str. 64, 01187 Dresden (Germany) [NaMLab GmbH, Nöthnitzer Str. 64, 01187 Dresden (Germany); Technische Universität Dresden, Nöthnitzer Str. 64, 01187 Dresden (Germany)

    2013-09-23T23:59:59.000Z

    Sponge-like Si nanostructures embedded in SiO{sub 2} were fabricated by spinodal decomposition of sputter-deposited silicon-rich oxide with a stoichiometry close to that of silicon monoxide. After thermal treatment a mean feature size of about 3 nm was found in the phase-separated structure. The structure of the Si-SiO{sub 2} nanocomposite was investigated by energy-filtered transmission electron microscopy (EFTEM), EFTEM tomography, and atom probe tomography, which revealed a percolated Si morphology. It was shown that the percolation of the Si network in 3D can also be proven on the basis of 2D EFTEM images by comparison with 3D kinetic Monte Carlo simulations.

  13. X-ray photoelectron spectroscopy study of para-substituted benzoic acids chemisorbed to aluminum oxide thin films

    SciTech Connect (OSTI)

    Kreil, Justin; Ellingsworth, Edward; Szulczewski, Greg [Department of Chemistry, The University of Alabama, Shelby Hall, 250 Hackberry Lane, Tuscaloosa, Alabama 35487 (United States)] [Department of Chemistry, The University of Alabama, Shelby Hall, 250 Hackberry Lane, Tuscaloosa, Alabama 35487 (United States)

    2013-11-15T23:59:59.000Z

    A series of para-substituted, halogenated (F, Cl, Br, and I) benzoic acid monolayers were prepared on the native oxide of aluminum surfaces by solution self-assembly and spin-coating techniques. The monolayers were characterized by x-ray photoelectron spectroscopy (XPS) and water contact angles. Several general trends are apparent. First, the polarity of the solvent is critical to monolayer formation. Protic polar solvents produced low coverage monolayers; in contrast, nonpolar solvents produced higher coverage monolayers. Second, solution deposition yields a higher surface coverage than spin coating. Third, the thickness of the monolayers determined from XPS suggests the plane of the aromatic ring is perpendicular to the surface with the carboxylate functional group most likely binding in a bidentate chelating geometry. Fourth, the saturation coverage (?2.7 × 10{sup 14} molecules cm{sup ?2}) is independent of the para-substituent.

  14. Experimental study on vertical scaling of InAs-on-insulator metal-oxide-semiconductor field-effect transistors

    SciTech Connect (OSTI)

    Kim, SangHyeon, E-mail: dadembyora@mosfet.t.u-tokyo.ac.jp, E-mail: sh-kim@kist.re.kr; Yokoyama, Masafumi; Nakane, Ryosho; Takenaka, Mitsuru; Takagi, Shinichi [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Ichikawa, Osamu; Osada, Takenori; Hata, Masahiko [Sumitomo Chemical Co., Ltd., 6 Kitahara, Tsukuba, Ibaraki 300-3294 (Japan)

    2014-06-30T23:59:59.000Z

    We have investigated effects of the vertical scaling on electrical properties in extremely thin-body InAs-on-insulator (-OI) metal-oxide-semiconductor field-effect transistors (MOSFETs). It is found that the body thickness (T{sub body}) scaling provides better short channel effect (SCE) control, whereas the T{sub body} scaling also causes the reduction of the mobility limited by channel thickness fluctuation (?T{sub body}) scattering (?{sub fluctuation}). Also, in order to achieve better SCEs control, the thickness of InAs channel layer (T{sub channel}) scaling is more favorable than the thickness of MOS interface buffer layer (T{sub buffer}) scaling from a viewpoint of a balance between SCEs control and ?{sub fluctuation} reduction. These results indicate necessity of quantum well channel structure in InAs-OI MOSFETs and these should be considered in future transistor design.

  15. [Fundamental studies in oxidation-reduction in relation to water photolysis]. Progress report, November 1, 1990--October 25, 1991

    SciTech Connect (OSTI)

    Hurst, J.K.

    1991-12-31T23:59:59.000Z

    Our research has been directed at understanding three elementary processes that are central to developing membrane-based integrated chemical systems for water photolysis. These are: (1) the role of interfaces in charge separation/recombination reactions, (2) pathways for transmembrane charge separation, and (3) mechanisms of water oxidation catalyzed by transition metal coordination complexes. Historically, the chemical dynamics of each of these processes has been poorly understood, with numerous unresolved issues and conflicting viewpoints appearing in the literature. Our experimental systems comprise primarily unilamellar vesicles that have been doped with amphiphilic viologens which function as transmembrane charge relays. These systems are experimentally highly tractable and versatile, are conceptually simple, and have been widely used in a variety of organized microphase media and prototypic devices. As such, they are ideal for identifying basic principles governing reactivity.

  16. Ni coarsening in the three-phase solid oxide fuel cell anode - a phase-field simulation study

    E-Print Network [OSTI]

    Chen, Hsun-Yi; Cronin, J Scott; Wilson, James R; Barnett, Scott A; Thornton, Katsuyo

    2012-01-01T23:59:59.000Z

    Ni coarsening in Ni-yttria stabilized zirconia (YSZ) solid oxide fuel cell anodes is considered a major reason for anode degradation. We present a predictive, quantative modeling framework based on the phase-field approach to systematically examine coarsening kinetics in such anodes. The initial structures for simulations are experimentally acquired functional layers of anodes. Sample size effects and error analysis of contact angles are examined. Three phase boundary (TPB) lengths and Ni surface areas are quantatively identified on the basis of the active, dead-end, and isolated phase clusters throughout coarsening. Tortuosity evolution of the pores is also investigated. We find that phase clusters with larger characteristic length evolve slower than those with smaller length scales. As a result, coarsening has small positive effects on transport, and impacts less on the active Ni surface area than the total counter part. TPBs, however, are found to be sensitive to local morphological features and are only i...

  17. Surface studies on aluminized and thermally oxidized superalloy 690 substrates interacted with simulated nuclear waste and sodium borosilicate melt

    SciTech Connect (OSTI)

    Yusufali, C., E-mail: yusuf@barc.gov.in; Sengupta, P.; Dutta, R. S.; Dey, G. K. [Materials Science Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India); Kshirsagar, R. J. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India); Mishra, R. K.; Kaushik, C. P. [Waste Management Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India)

    2014-04-24T23:59:59.000Z

    Aluminized and thermally oxidized Ni-Cr-Fe based superalloy 690 substrates with Al{sub 2}O{sub 3} layer on top have been exposed in nitrate based environment (simulated high level nuclear liquid waste) at 373 K for 216 hours and sodium borosilicate melt at 1248 K for 192 hours. The surfaces of exposed samples have been characterized by using Electron probe micro-analyzer (EPMA). Elemental X-ray mapping on coated specimen that exposed in simulated nuclear waste solution revealed that the surface is enriched with Ni, Cr and Al. X-ray mapping on surface of the specimen that interacted with sodium borosilicate melt indicated that the surface is composed of Al, Fe, Ni and Cr.

  18. Journal of Power Sources 153 (2006) 6875 Numerical study of a flat-tube high power density solid oxide fuel cell

    E-Print Network [OSTI]

    2006-01-01T23:59:59.000Z

    power density (HPD) solid oxide fuel cell (SOFC) is a geometry based on a tubular type SOFC: Flat-tube; High power density (HPD); Solid oxide fuel cell (SOFC); Simulation; Performance; Optimization 1. Introduction A solid oxide fuel cell (SOFC), like any other fuel cell, produces electrical

  19. Journal of Power Sources 140 (2005) 331339 Numerical study of a flat-tube high power density solid oxide fuel cell

    E-Print Network [OSTI]

    2005-01-01T23:59:59.000Z

    ) solid oxide fuel cell (SOFC) is a new design developed by Siemens Westinghouse, based on their formerly.V. All rights reserved. Keywords: Flat-tube; High power density; Solid oxide fuel cell; Simulation; Heat oxide fuel cell Part I. Heat/mass transfer and fluid flow Yixin Lu1, Laura Schaefer, Peiwen Li2

  20. Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study

    E-Print Network [OSTI]

    Ceder, Gerbrand

    a promising gate oxide material to replace silicon dioxide in metal-oxide- semiconductor devices. Using-earth-doped lasers. Recently, Y2O3 has re- ceived attention as a promising candidate for replacing sili- con dioxide SiO2 as a gate dielectric material in metal- oxide-semiconductor MOS transistors.1­10 The continual

  1. New insight into artifactual phenomena during in vitro toxicity assessment of engineered nanoparticles: study of TNF-adsorption on alumina oxide nanoparticle

    E-Print Network [OSTI]

    Boyer, Edmond

    engineered NP [aluminum oxide hydroxide, AlO(OH)]. The rate of TNF- degradation and its adsorption (on dollars (National Science Foundation, 2003). NP have applications in various fields such as automotive by inducing inflammation or oxidative stress. In particular, boehmite NP [aluminum oxide hydroxide, Al

  2. Direct Internal Reformation and Mass Transport in the Solid Oxide Fuel Cell Anode: A Pore-Scale Lattice Boltzmann Study with Detailed Reaction Kinetics

    SciTech Connect (OSTI)

    Grew, Kyle N.; Joshi, Abhijit S.; Chiu, W. K. S.

    2010-01-01T23:59:59.000Z

    The solid oxide fuel cell (SOFC) allows the conversion of chemical energy that is stored in a given fuel, including light hydrocarbons, to electrical power. Hydrocarbon fuels, such as methane, are logistically favourable and provide high energy densities. However, the use of these fuels often results in a decreased efficiency and life. An improved understanding of the reactive flow in the SOFC anode can help address these issues. In this study, the transport and heterogeneous internal reformation of a methane based fuel is addressed. The effect of the SOFC anode's complex structure on transport and reactions is shown to exhibit a complicated interplay between the local molar concentrations and the anode structure. Strong coupling between the phenomenological microstructures and local reformation reaction rates are recognised in this study, suggesting the extension to actual microstructures may provide new insights into the reformation processes.

  3. Compositional Analysis of the High Molecular Weight Ethylene Oxide Propylene Oxide Copolymer by MALDI Mass Spectrometry

    E-Print Network [OSTI]

    Houshia, Orwa Jaber

    2012-01-01T23:59:59.000Z

    The composition of narrow distribution poly ethylene oxide-propylene oxide copolymer (Mw ~ 8700 Da) was studied using matrix assisted laser desorption ionization (MALDI) mass spectrometry. The ethylene oxide-propylene oxide copolymer produced oligomers separated by 14 Da. The average resolving power over the entire spectrum was 28,000. Approximately 448 isotopically resolved peaks representing about 56 oligomers are identified. Although agreement between experimental and calculated isotopic distributions was strong, the compositional assignment was difficult. This is due to the large number of possible isobaric components. The purpose of this research is to resolve and study the composition of high mass copolymer such as ethylene oxide-propylene oxide.

  4. A Theoretical Study of Methanol Oxidation Catalyzed by Isolated Vanadia Clusters Supported on the (101) Surface of Anatase

    SciTech Connect (OSTI)

    Shapovalov, Vladimir; Fievez, Tim; Bell, Alexis T.

    2012-08-13T23:59:59.000Z

    A theoretical model has been developed for describing isolated vanadate species dispersed on the (101) surface of anatase that takes into account the equilibration of the supported species with gas-phase oxygen. The lowest energy of the combined solid and gas phases identifies the VOx species with the optimal structure and composition. This model of VOx species supported on the surface of anatase is then used to analyze the reaction path for methanol oxidation to formaldehyde. The chemisorption of methanol is found to proceed preferentially by addition across a V-O-Ti bond to form V-OCH3 and Ti-OH species. The rate-limiting step for the formation of formaldehyde takes place via the transfer of a hydrogen atom from V-OCH3 bound to an oxygen atom bridging two Ti atoms, i.e., a Ti-O-Ti group located adjacent to the supported vanadate species. This step is found to have the lowest apparent activation energy of all pathways explored for the formation of formaldehyde.

  5. Comparative Study of Optical and Magneto-Optical Properties of Normal, Disordered and Inverse Spinel Type Oxides

    E-Print Network [OSTI]

    Zviagin, Vitaly; Böntgen, Tammo; Lorenz, Michael; Ziese, Michael; Zahn, Dietrich R T; Salvan, Georgeta; Grundmann, Marius; Schmidt-Grund, Rüdiger

    2015-01-01T23:59:59.000Z

    $Co_3O_4$, $ZnFe_2O_4$, $CoFe_2O_4$, $ZnCo_2O_4$, and $Fe_3O_4$ thin films were fabricated by pulsed laser deposition at high and low temperatures resulting in crystalline single-phase normal, inverse, as well as disordered spinel oxide thin films with smooth surface morphology. The dielectric function, determined by spectroscopic ellipsometry in a wide spectral range from 0.5 eV to 8.5 eV, is compared with the magneto-optical response of the dielectric tensor, investigated by magneto-optical Kerr effect (MOKE) spectroscopy in the range of 1.7 eV to 5.5 eV with an applied magnetic field of 1.7 T. Crystal field, inter-valence and inter-sublattice charge transfer transitions, and transitions from $O_{2p}$ to metal cation 3d or 4s bands are identified in both the principal diagonal elements and the magneto-optically active off-diagonal elements of the dielectric tensor. Depending on the degree of cation disorder, resulting in local symmetry distortion, due to mixtures of normal and inverse spinel structures, the...

  6. Towards an artificial formate dehydrogenase : : mechanistic studies of formate oxidation and CO? reduction by metal P?N? complexes

    E-Print Network [OSTI]

    Seu, Candace Sachi Wai Mei

    K, M. ; Potts, K. ; Abruna, H. Inorg. Chem. , 1992, 31,polypyridine films studied by Abruna, 50 the Fe 4 clusters

  7. Time-Resolved XAFS Spectroscopic Studies of B-H and N-H Oxidative Addition to Transition Metal Catalysts Relevant to Hydrogen Storage

    SciTech Connect (OSTI)

    Bitterwolf, Thomas E. [University of Idaho

    2014-12-09T23:59:59.000Z

    Successful catalytic dehydrogenation of aminoborane, H3NBH3, prompted questions as to the potential role of N-H oxidative addition in the mechanisms of these processes. N-H oxidative addition reactions are rare, and in all cases appear to involve initial dative bonding to the metal by the amine lone pairs followed by transfer of a proton to the basic metal. Aminoborane and its trimethylborane derivative block this mechanism and, in principle, should permit authentic N-H oxidative attrition to occur. Extensive experimental work failed to confirm this hypothesis. In all cases either B-H complexation or oxidative addition of solvent C-H bonds dominate the chemistry.

  8. Comparative study of the reactions of metal oxides with H{sub 2}S and SO{sub 2}. Technical progress report, July--September 1991

    SciTech Connect (OSTI)

    Sotirchos, S.V.

    1991-10-01T23:59:59.000Z

    The primary objective of this project is the investigation of the effects of pore structure on the capacity of porous metal oxides for removal of gaseous pollutants from flue gases of power plants (SO{sub 2}) and hot coal gas (primarily H{sub 2}S). Specifically, we intend to appropriately exploit the differences of the sulfidation and sulfation reactions (for instance, different molar volumes of solid products) to elucidate the dependence of the sorptive capacity of a porous sorbent on its physical microstructure. The following tasks have been identified in the proposed project: (1) Literature survey and identification of solids to be used in experimental studies. (2) Experimental study of the reaction of the chosen solids with SO{sub 2} and/or H{sub 2}S. (3) Experimental study of the evolution of the structure of the solids during reaction with SO{sub 2} and/or H{sub 2}S using pore structure analysis and effective diffusivity measurements. (4) Model testing and validation using the obtained experimental data.

  9. CO oxidation trends on Pt-group metals from ultrahigh vacuum to near atmospheric pressures: A combined in situ PM-IRAS and reaction kinetics study

    E-Print Network [OSTI]

    Goodman, Wayne

    CO oxidation trends on Pt-group metals from ultrahigh vacuum to near atmospheric pressures Accepted for publication 14 October 2008 Available online 5 November 2008 Keywords: Pt-group metals CO a c t The CO oxidation reaction on Pt-group metals (Pt, Rh, and Pd) has been investigated at low (610À

  10. In situ synchrotron X-ray studies of dense thin-film strontium-doped lanthanum manganite solid oxide fuel cell cathodes

    E-Print Network [OSTI]

    Yildiz, Bilge

    oxide fuel cell cathodes Kee-Chul Chang1 , Brian Ingram2 , Balasubramaniam Kavaipatti3 , Bilge Yildiz4, suggesting that the electrochemistry plays a role in the Sr segregation. INTRODUCTION The solid oxide fuel cell (SOFC) has advantages of high efficiency and fuel-flexibility but is not yet economically

  11. Asphalt Oxidation Kinetics and Pavement Oxidation Modeling

    E-Print Network [OSTI]

    Jin, Xin

    2012-07-16T23:59:59.000Z

    Most paved roads in the United States are surfaced with asphalt. These asphalt pavements suffer from fatigue cracking and thermal cracking, aggravated by the oxidation and hardening of asphalt. This negative impact of asphalt oxidation on pavement...

  12. Anodic Oxidation of m-terphenyl thio-, seleno-and telluroethers: Lowered oxidation potentials due to chalcogen.•••? interaction

    E-Print Network [OSTI]

    Wilson, George S.; Ammam, Malika; Zakai, Uzma I.; Glass, Richard S.

    2010-02-01T23:59:59.000Z

    The electrochemistry of m-terphenylthio-, seleno-, and telluroethers was studied using cyclic voltammetry in acetonitrile. All of the compounds studied showed irreversible oxidations. The first oxidation potentials for the ...

  13. Magnetization measurements and XMCD studies on ion irradiated...

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

    measurements and XMCD studies on ion irradiated iron oxide and core-shell ironiron-oxide nanomaterials. Magnetization measurements and XMCD studies on ion irradiated iron oxide...

  14. Effect of Residence Time on Ni-Sorption Mechanisms on Clay and Oxide Minerals: An X-ray Absorption Fine Structure (XAFS) Study

    E-Print Network [OSTI]

    Sparks, Donald L.

    Effect of Residence Time on Ni-Sorption Mechanisms on Clay and Oxide Minerals: An X-ray Absorption minerals is typically fast initially, then the rates gradually diminish. In the literature the decline

  15. Nonisostructural complex oxide heteroepitaxy

    SciTech Connect (OSTI)

    Wong, Franklin J., E-mail: fwong@seas.harvard.edu; Ramanathan, Shriram [School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138 (United States)

    2014-07-01T23:59:59.000Z

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

  16. A comparative study of TiN and TiC: Oxidation resistance and retention of xenon at high temperature and under degraded vacuum

    SciTech Connect (OSTI)

    Gavarini, S.; Bes, R.; Millard-Pinard, N.; Peaucelle, C.; Perrat-Mabilon, A.; Gaillard, C. [Universite de Lyon, Universite Claude Bernard Lyon 1, CNRS/IN2P3, UMR5822, IPNL, 69622 Villeurbanne Cedex (France); Cardinal, S.; Garnier, V. [Universite de Lyon, INSA de Lyon, MATEIS, CNRS UMR 5510, 7 Avenue Jean Capelle, 69621 Villeurbanne Cedex (France)

    2011-01-01T23:59:59.000Z

    Dense TiN and TiC samples were prepared by hot pressing using micrometric powders. Xenon species (simulating rare gas fission products) were then implanted into the ceramics. The samples were annealed for 1 h at 1500 deg. C under several degraded vacuums with P{sub O{sub 2}} varying from 10{sup -6} to 2x10{sup -4} mbars. The oxidation resistance of the samples and their retention properties with respect to preimplanted xenon species were analyzed using scanning electron microscopy, grazing incidence x-ray diffraction, Rutherford backscattering spectrometry, and nuclear backscattering spectrometry. Results indicate that TiC is resistant to oxidation and does not release xenon for P{sub O{sub 2{<=}}}6x10{sup -6} mbars. When P{sub O{sub 2}} increases, geometric oxide crystallites appear at the surface depending on the orientation and size of TiC grains. These oxide phases are Ti{sub 2}O{sub 3}, Ti{sub 3}O{sub 5}, and TiO{sub 2}. Apparition of oxide crystallites is associated with the beginning of xenon release. TiC surface is completely covered by the oxide phases at P{sub O{sub 2}}=2x10{sup -4} mbars up to a depth of 3 {mu}m and the xenon is then completely released. For TiN samples, the results show a progressive apparition of oxide crystallites (Ti{sub 3}O{sub 5} mainly) at the surface when P{sub O{sub 2}} increases. The presence of the oxide crystallites is also directly correlated with xenon release, the more oxide crystallites are growing the more xenon is released. TiN surface is completely covered by an oxide layer at P{sub O{sub 2}}=2x10{sup -4} mbars up to 1 {mu}m. A correlation between the initial fine microstructure of TiN and the properties of the growing layer is suggested.

  17. Photo-oxidation catalysts

    DOE Patents [OSTI]

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

    2009-07-14T23:59:59.000Z

    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.

  18. Computational studies of guanine oxidation

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    ) Elevated levels observed in patients with acute lymphoblastic leukemia, and a variety of cancers with dementia Elevated levels observed in patients with acute lymphoblastic leukaemia, breast cancer and skin

  19. Cerium Oxide Coating for Oxidation Reduction

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

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

  20. Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides M. K. Aydinol, A. F. Kohan, and G. Ceder

    E-Print Network [OSTI]

    Ceder, Gerbrand

    -metal-oxides due to their application potential as rechargeable battery electrodes1 and electrochromic displays.2. In electrochromic applications, band filling is used to adjust the electronic and optical properties.3 Figure 1-potential difference between cathode and anode is desirable as this leads to a high OCV. For electrochromic

  1. Water oxidation reaction in natural and artificial photosynthetic systems

    SciTech Connect (OSTI)

    Yano, Junko; Yachandra, Vittal [Physical Biosciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd., Berkeley, CA 94720 (United States)

    2013-12-10T23:59:59.000Z

    Understanding the structure and mechanism of water oxidation catalysts is an essential component for developing artificial photosynthetic devices. In the natural water oxidation catalyst, the geometric and electronic structure of its inorganic core, the Mn{sub 4}CaO{sub 5} cluster, has been studied by spectroscopic and diffraction measurements. In inorganic systems, metal oxides seem to be good candidates for water oxidation catalysts. Understanding the reaction mechanism in both natural and oxide-based catalysts will helpin further developing efficient and robust water oxidation catalysts.

  2. In situ x-ray absorption fine structure and optical reflectance studies of electrodeposited nickel hydrous oxide films in alkaline electrolytes.

    SciTech Connect (OSTI)

    Hu, Y.; Bae, I. T.; Mo, Y.; Antonio, M. R.; Scherson, D. A.; Chemistry; Case Western Reserve Univ.

    1997-01-01T23:59:59.000Z

    X-ray absorption fine structure (XAFS) and optical reflectance spectroscopy (RS) have been used to examine in situ electronic and structural aspects of nickel hydrous oxide, a-Ni(OH)2(hyd), electrodes supported on gold in alkaline electrolytes as a function of their state of charge. The extended X-ray absorption fine structure (EXAFS) of a-Ni(OH)2(hyd) electrodes in the uncharged (UC, or discharged) and overcharged (OC, or fully charged) states yielded, in each case, a single set of two distinct nearest-neighbor shells, with distances, d(Ni-O)1 = 2.05 {+-} 0.02 {angstrom} and d(Ni-Ni)1 = 3.11 {+-} 0.02 {angstrom} for UC, and d(Ni-O)1 = 1.87 {+-} 0.02 {angstrom} and d(Ni-Ni)1 = 2.83 {+-} 0.02 {angstrom} for OC. The in situ EXAFS of films allowed to self-discharge following overcharge could be fit with contributions from both sets of shells, suggesting that only two types of nickel sites are sufficient to account for the redox chemistry of this material. These data, in addition to information derived both from quantitative X-ray absorption near-edge structure (XANES) and optical RS in the visible range, indicate that the excess anodic charge, i.e., beyond the one-electron oxidation of Ni2+ sites, observed during the first oxidation of freshly prepared a-Ni(OH)2(hyd) electrodes may not be related to oxidation state changes involving nickel sites in the lattice, and, therefore, do not support the existence of nickel sites with a formal oxidation state higher than three for charged or overcharged electrodes in this media.

  3. Solid oxide electrochemical reactor science.

    SciTech Connect (OSTI)

    Sullivan, Neal P. (Colorado School of Mines, Golden, CO); Stechel, Ellen Beth; Moyer, Connor J. (Colorado School of Mines, Golden, CO); Ambrosini, Andrea; Key, Robert J. (Colorado School of Mines, Golden, CO)

    2010-09-01T23:59:59.000Z

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

  4. THE MICROSTRUCTURAL LOCATION OF THE INTERGRANULAR METAL OXIDE PHASE IN A ZINC OXIDE VARISTOR

    E-Print Network [OSTI]

    Clarke, D. E

    2011-01-01T23:59:59.000Z

    OXIDE PHASE IN A ZINC OXIDE VARISTOR MICROSI'RUCTIJRALMETAL OXIDE PHASE IN A ZINC OXIDE VARISTOR David R. Clarke

  5. Fundamentals of Mercury Oxidation in Flue Gas

    SciTech Connect (OSTI)

    JoAnn Lighty; Geoffrey Silcox; Constance Senior; Joseph Helble; Balaji Krishnakumar

    2008-07-31T23:59:59.000Z

    The objective of this project was to understand the importance of and the contribution of gas-phase and solid-phase coal constituents in the mercury oxidation reactions. The project involved both experimental and modeling efforts. The team was comprised of the University of Utah, Reaction Engineering International, and the University of Connecticut. The objective was to determine the experimental parameters of importance in the homogeneous and heterogeneous oxidation reactions; validate models; and, improve existing models. Parameters studied include HCl, NO{sub x}, and SO{sub 2} concentrations, ash constituents, and temperature. The results suggested that homogeneous mercury oxidation is below 10% which is not consistent with previous data of others and work which was completed early in this research program. Previous data showed oxidation above 10% and up to 100%. However, the previous data are suspect due to apparent oxidation occurring within the sampling system where hypochlorite ion forms in the KCl impinger, which in turn oxidized mercury. Initial tests with entrained iron oxide particles injected into a flame reactor suggest that iron present on fly ash particle surfaces can promote heterogeneous oxidation of mercury in the presence of HCl under entrained flow conditions. Using the data generated above, with homogeneous reactions accounting for less than 10% of the oxidation, comparisons were made to pilot- and full-scale data. The results suggest that heterogeneous reactions, as with the case of iron oxide, and adsorption on solid carbon must be taking place in the full-scale system. Modeling of mercury oxidation using parameters from the literature was conducted to further study the contribution of homogeneous pathways to Hg oxidation in coal combustion systems. Calculations from the literature used rate parameters developed in different studies, in some cases using transition state theory with a range of approaches and basis sets, and in other cases using empirical approaches. To address this, rate constants for the entire 8-step homogeneous Hg oxidation sequence were developed using an internally consistent transition state approach. These rate constants when combined with the appropriate sub-mechanisms produced lower estimates of the overall extent of homogeneous oxidation, further suggesting that heterogeneous pathways play an important role in Hg oxidation in coal-fired systems.

  6. ReaxFF Study of the Oxidation of Lignin Model Compounds for the Most Common Linkages in Softwood in View of Carbon Fiber Production

    SciTech Connect (OSTI)

    Beste, Ariana [ORNL] [ORNL

    2014-01-01T23:59:59.000Z

    Lignin is an underused but major component of biomass. One possible area of utilization is the production of carbon fiber. A necessary processing step is the stabilization of lignin fiber (typically in an oxygen environment) before high temperature treatment. We investigate oxidative, thermal conversion of lignin using computational methods. Dilignol model compounds for the most common (seven) linkages in softwood are chosen to represent the diverse structure of lignin. We perform molecular dynamics simulation where the potential energy surface is described by a reactive force field (ReaxFF). We calculate overall activation energies for model conversion and reveal initial mechanisms of formaldehyde formation. We record fragmentation patterns and average carbon oxidation numbers at various temperatures. Most importantly, we identify mechanisms for stabilizing reactions that result in cyclic, and rigid connections in softwood lignin fibers that are necessary for further processing into carbon fibers.

  7. In situ X-ray absorption fine structure studies of foreign metal ions in nickel hydrous oxide electrodes in alkaline electrolytes

    SciTech Connect (OSTI)

    Kim, Sunghyun; Tryk, D.A.; Scherson, D. (Case Western Reserve Univ., Cleveland, OH (United States)); Antonio, M.R. (Argonne National Lab., IL (United States)); Carr, R. (Stanford Synchrotron Radiation Lab., CA (United States))

    1994-10-06T23:59:59.000Z

    Aspects of the structural and electronic properties of hydrous oxide films of composite (9:1) Ni/Co and (9:1) Ni/Fe, prepared by electrodeposition, have been examined in alkaline electrolytes using in situ X-ray absorption fine structure (XAFS). An analysis of the X-ray absorption near the edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) for the Co and Fe K-edges of these composite hydrous oxides revealed that, regardless of the oxidation state of nickel sites in the films, the guest metal ions are present as Co[sup 3+] and Fe[sup 3+] and that the cobalt-oxygen distance d(Co-O) = 1.9 [+-] 0.02 [angstrom] and d(Fe-O) = 1.92 [+-] 0.02 [angstrom]. The latter values are in excellent agreement with d(Me-O) (Me = Co or Fe) in CoOOH and [beta]- and [gamma]-FeOOH, respectively, determined by conventional X-ray diffraction. Two clearly defined Me-Ni first coordination shells could be observed in the Fourier transforms (FT) of the K-edge EXAFS of the guest metal recorded at a potential at which both Ni[sup 2+] and Ni[sup 3+] sites are expected to be present. 28 refs., 10 figs., 3 tabs.

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

    E-Print Network [OSTI]

    Kim, Sehun

    Comparison of the Catalytic Oxidation Reaction on Graphene Oxide and Reduced Graphene Oxide Laboratory (PAL), Pohang 790-784, Republic of Korea ABSTRACT: The capacities of graphene oxide (GO) and reduced graphene oxide (rGO) films grown on silicon substrate to cause the aniline to azobenzene oxidation

  9. Photodissociation Dynamics of Halogen Oxide Species 

    E-Print Network [OSTI]

    Dooley, Kristin S.

    2010-07-14T23:59:59.000Z

    The focus of this dissertation is the study of the photodissociation dynamics of halogen oxide species (XO, X = Cl, Br, I). These radical species are known to be important in stratospheric and tropospheric ozone depletion ...

  10. Oxidation Characteristics of Fe-18Cr-18Mn-stainless alloys

    SciTech Connect (OSTI)

    James Rawers

    2010-10-01T23:59:59.000Z

    Air oxidation studies of Fe-18Cr-18Mn stainless steels were conducted at 525°C, 625°C, and 725°C. Alloys were evaluated with respect to changes in oxidation properties as a result of interstitial additions of nitrogen and carbon and of minor solute additions of silicon, molybdenum, and nickel. Interstitial concentrations possibly had a small, positive effect on oxidation resistance. Minor solute additions significantly improved oxidation resistance but could also reduce interstitial solubility resulting in formation of chromium carbides. Loss of solute chromium resulted in a slight reduction in oxidation protection. Oxidation lasting over 500 hours produced a manganese rich, duplex oxide structure: an outer sesquioxide and an inner spinel oxide.

  11. Hydrous metal oxide catalysts for oxidation of hydrocarbons

    SciTech Connect (OSTI)

    Miller, J.E.; Dosch, R.G.; McLaughlin, L.I. [Sandia National Labs., Albuquerque, NM (United States). Process Research Dept.

    1993-07-01T23:59:59.000Z

    This report describes work performed at Sandia under a CRADA with Shell Development of Houston, Texas aimed at developing hydrous metal oxide (HMO) catalysts for oxidation of hydrocarbons. Autoxidation as well as selective oxidation of 1-octene was studied in the presence of HMO catalysts based on known oxidation catalysts. The desired reactions were the conversion of olefin to epoxides, alcohols, and ketones, HMOs seem to inhibit autoxidation reactions, perhaps by reacting with peroxides or radicals. Attempts to use HMOs and metal loaded HMOs as epoxidation catalysts were unsuccessful, although their utility for this reaction was not entirely ruled out. Likewise, alcohol formation from olefins in the presence of HMO catalysts was not achieved. However, this work led to the discovery that acidified HMOs can lead to carbocation reactions of hydrocarbons such as cracking. An HMO catalyst containing Rh and Cu that promotes the reaction of {alpha}-olefins with oxygen to form methyl ketones was identified. Although the activity of the catalyst is relatively low and isomerization reactions of the olefin simultaneously occur, results indicate that these problems may be addressed by eliminating mass transfer limitations. Other suggestions for improving the catalyst are also made. 57 refs.

  12. Pilot study of the moving-bed copper oxide process for SO{sub 2} and NO{sub x} control

    SciTech Connect (OSTI)

    Hoffman, J.S.; Yeh, J.T.; Pennline, H.W. [Department of Energy, Pittsburgh, PA (United States); Resnik, K.P. [Parsons Power Group, Inc., Pittsburgh, PA (United States)

    1997-07-01T23:59:59.000Z

    The Moving-Bed Copper Oxide Process is a dry, regenerable sorbent technique that uses supported copper oxide sorbent to simultaneously remove SO{sub 2} and NO{sub x} emissions from flue gas generated by coal combustion. This process can meet the goals of a Department of Energy (DOE) initiative to develop flue gas control technologies to remove 99% and 95% of SO{sub 2} and NO{sub x}, respectively, at a low cost for emission control. The process can be integrated into the design of advanced power systems, such as the Low-Emission Boiler System (LEBS) or the High-Performance Power System (HIPPS). This flue gas cleanup technique is currently being evaluated in a life-cycle tea system (LCTS) with a moving-bed flue gas contractor at DOE`s Federal Energy Technology Center. An experimental data base being established will be used to verify reported technical and economic advantages, optimize process conditions, provide scaleup information, and validate absorber and regenerator mathematical models. The chemistry of the process is relatively straightforward. In the absorption step, SO{sub 2} in the flue gas reacts with copper oxide, supported on small spheres of alumina, to form copper sulfate. Ammonia is injected into the flue gas before the absorption reactor and a selective catalytic reduction-type reaction occurs that reduces the nitric oxides in the flue gas. In the regeneration step, the copper sulfate is reduced in a regenerator with a reducing agent, such as natural gas, producing a concentrated stream of SO{sub 2}. Another advantage of the process is that the lower pressure drop across the moving-bed configuration as compared to other designs reduces power consumption and thus influences the overall economic costs. LCTS results are discussed from several proms parametric test series (MBCuO-11 through MBCuO-14). The effects of various absorber and regenerator parameters on sorbent performance (e.g., SO{sub 2} and NO{sub x} removal) were investigated.

  13. METAL OXIDE NANOPARTICLES

    SciTech Connect (OSTI)

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

    2007-10-01T23:59:59.000Z

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

    DOE Patents [OSTI]

    Lu, Peizhen Kathy; Mahapatra, Manoj Kumar

    2013-09-24T23:59:59.000Z

    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.

  15. Mixed oxide solid solutions

    DOE Patents [OSTI]

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

    2003-01-01T23:59:59.000Z

    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.

  16. acute nitric oxide: Topics by E-print Network

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

    with a genetic polymorphisms in nitric oxide synthase genes (NOS), a higher nicotine exposure was associated with lower FeNO levels. Finally, although more studies are needed...

  17. affects nitric oxide: Topics by E-print Network

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

    with a genetic polymorphisms in nitric oxide synthase genes (NOS), a higher nicotine exposure was associated with lower FeNO levels. Finally, although more studies are needed...

  18. aluminum oxide particles: Topics by E-print Network

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

    DIFFRACTION AND FLUORESCENCE STUDY OF OXIDE LAYERS FORMED ON 9Cr ODS STEEL IN Fission and Nuclear Technologies Websites Summary: of the dispersion particles containing rare earth...

  19. Electrochromic reactions in manganese oxides I. Raman analysis

    SciTech Connect (OSTI)

    Bernard, M.C.; Hugot-Le Goff, A.; Thi, B.V. (Univ. Pierre et Marie Curie, Paris (France). UPR 15 du CNRS Physique des Liquides et Electrochimie); Cordoba de Torresi, S. (Univ. Estadual de Campinas (Brazil). Dept. de Fisica Aplicada)

    1993-11-01T23:59:59.000Z

    Like nickel oxide, manganese oxide is a widely studied material in the primary batteries field. The reactions taking place during voltametric cycling of manganese oxides can be determined using in situ Raman spectroscopy. The main difficulty for the oxide identification is to obtain relevant Raman reference spectra because of the many possible compounds and, for some of these compounds, of their instability in the laser beam. As a consequence, several modifications of different tetra-, tri- and divalent manganese oxides and oxyhydroxides were carefully studied. The electrochromic behavior of three types of manganese oxides, two prepared by thermal oxidations and the other by electrochemical deposition, were then compared. The presence of nonstoichiometry in the pristine material was necessary to obtain a reversible electrochromic effect. The reaction during electrochromic cycling is more complicated than a simple passage from MnO[sub 2] to MnOOH.

  20. Oxidation of Organic Compounds in the Soil.

    E-Print Network [OSTI]

    Fraps, G. S. (George Stronach)

    1915-01-01T23:59:59.000Z

    oxidized to nitrates. The direct study of the changes in organic matter or carbon in the soil is more satisfactory than any assumption. A considerable amount of work upon the oxidation of organic matter in the soil has been clone hy Wollny... cflpo8city, so the re1ati~-e power of the soil to support oxidizing organisms ma!r he termed its oxidafion cnpaciiy. The nitrif-ing capac- it" the oxidatioa capacity 'and the capacit~ of the soil to convert am- monia into nitrates and ammonia are to a...

  1. Coal combustion by wet oxidation

    SciTech Connect (OSTI)

    Bettinger, J.A.; Lamparter, R.A.; McDowell, D.C.

    1980-11-15T23:59:59.000Z

    The combustion of coal by wet oxidation was studied by the Center for Waste Management Programs, of Michigan Technological University. In wet oxidation a combustible material, such as coal, is reacted with oxygen in the presence of liquid water. The reaction is typically carried out in the range of 204/sup 0/C (400/sup 0/F) to 353/sup 0/C (650/sup 0/F) with sufficient pressure to maintain the water present in the liquid state, and provide the partial pressure of oxygen in the gas phase necessary to carry out the reaction. Experimental studies to explore the key reaction parameters of temperature, time, oxidant, catalyst, coal type, and mesh size were conducted by running batch tests in a one-gallon stirred autoclave. The factors exhibiting the greatest effect on the extent of reaction were temperature and residence time. The effect of temperature was studied from 204/sup 0/C (400/sup 0/F) to 260/sup 0/C (500/sup 0/F) with a residence time from 600 to 3600 seconds. From this data, the reaction activation energy of 2.7 x 10/sup 4/ calories per mole was determined for a high-volatile-A-Bituminous type coal. The reaction rate constant may be determined at any temperature from the activation energy using the Arrhenius equation. Additional data were generated on the effect of mesh size and different coal types. A sample of peat was also tested. Two catalysts were evaluated, and their effects on reaction rate presented in the report. In addition to the high temperature combustion, low temperature desulfurization is discussed. Desulfurization can improve low grade coal to be used in conventional combustion methods. It was found that 90% of the sulfur can be removed from the coal by wet oxidation with the carbon untouched. Further desulfurization studies are indicated.

  2. Cerium Oxide Coating for Oxidation Reduction

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C oCNMSStaffCerium Oxide Coating for Oxidation

  3. Stabilized chromium oxide film

    DOE Patents [OSTI]

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

    1988-01-01T23:59:59.000Z

    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.

  4. Stabilized chromium oxide film

    DOE Patents [OSTI]

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

    1986-08-04T23:59:59.000Z

    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.

  5. Reducible oxide based catalysts

    DOE Patents [OSTI]

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

    2010-04-06T23:59:59.000Z

    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.

  6. Strong reduction of V{sup 4+} amount in vanadium oxide/hexadecylamine nanotubes by doping with Co{sup 2+} and Ni{sup 2+} ions: Electron paramagnetic resonance and magnetic studies

    SciTech Connect (OSTI)

    Saleta, M. E.; Troiani, H. E.; Ribeiro Guevara, S.; Ruano, G.; Sanchez, R. D. [Centro Atomico Bariloche, CNEA, (8400) S. C. de Bariloche (Argentina); Malta, M. [Depto. de Cs. Exatas e da Terra, Univ. do Estado da Bahia, Cabula Salvador CP 2555 (Brazil); Torresi, R. M. [Instituto de Quimica, Universidad de Sao Paulo, Sao Paulo CP 26077, 05513-970 (Brazil)

    2011-05-01T23:59:59.000Z

    In this work we present a complete characterization and magnetic study of vanadium oxide/hexadecylamine nanotubes (VO{sub x}/Hexa NT's) doped with Co{sup 2+} and Ni{sup 2+} ions. The morphology of the NT's has been characterized by transmission electron microscopy, while the metallic elements have been quantified by the instrumental neutron activation analysis technique. The static and dynamic magnetic properties were studied by collecting data of magnetization as a function of magnetic field and temperature and by electron paramagnetic resonance. At difference of the majority reports in the literature, we do not observe magnetic dimers in vanadium oxide nanotubes. Also, we observed that the incorporation of metallic ions (Co{sup 2+}, S = 3/2 and Ni{sup 2+}, S = 1) decreases notably the amount of V{sup 4+} ions in the system, from 14-16% (nondoped case) to 2%-4%, with respect to the total vanadium atoms (fact corroborated by XPS experiments) anyway preserving the tubular nanostructure. The method to decrease the amount of V{sup 4+} in the nanotubes improves considerably their potential technological applications as Li-ion batteries cathodes.

  7. MICROSTRUCTURE STUDY ON THE La0.7Sr0.3MnO3 AND RARE-EARTH OXIDE VERTICALLY ALIGNED NANOCOMPOSITE THIN FILMS

    E-Print Network [OSTI]

    Hazariwala, Harshad

    2011-05-05T23:59:59.000Z

    interfacial area where magnetoelectric coupling in BaTiO3:CoFe2O4 and BiFeO3:NiFe2O4, 3,4 and strain tuning in BiFeO3:Sm2O3 and La0.7Sr0.3MnO3:ZnO have been achieved. 5 In this work, epitaxial La0.7Sr0.3MnO3 and rare-earth oxide nanocomposites have... interfaces. At the beginning of the project, we processed ceramic composite targets by following the standard solid state reaction and analyze the target crystalline properties in order to _______________ This thesis follows the style of Applied Physics...

  8. Advanced Oxidation Technology for Pulp Mill Effluent

    E-Print Network [OSTI]

    Hart, J. R.

    ADVANCED OXIDATION TECHNOLOGY FOR PULP MILL EFFLUENT J. ROBERT HART, MANAGER, EPRI PULP & PAPER OFFICE, ATLANTA, GA ABSTRACT The composition of effluent from various pulping processes can exhibit a wide range of physical and chemical... an oxidation and photolysis process. AOP FEASIBILITY STUDY The application of AOP for the treatment of pulp mill effluent was demonstrated in an EPRI Co-funded Project (1). This Project had the industrial support of about twenty companies and utilities...

  9. Thermal stability in the blended lithium manganese oxide – Lithium nickel cobalt manganese oxide cathode materials: An in situ time-resolved X-Ray diffraction and mass spectroscopy study

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

    Hu, Enyuan; Bak, Seong Min; Senanayake, Sanjaya D.; Yang, Xiao-Qing; Nam, Kyung-Wan; Zhang, Lulu; Shao, Minhua

    2015-03-01T23:59:59.000Z

    Thermal stabilities of a series of blended LiMn2O4(LMO)-LiNi1/3Co1/3Mn1/3O2 (NCM) cathode materials with different weight ratios were studied by in situ time-resolved X-ray diffraction (XRD) combined with mass spectroscopy in the temperature range of 25°C-580°C under helium atmosphere. Upon heating, the electrochemically delithiated LMO changed into Mn3O4 phase at around 250°C. Formation of MnO with rocksalt structure started at 520°C. This observation is in contrast to the previous report for chemically delithiate LMO in air, in which a process of ?-MnO2 transforming to ?-MnO2 was observed. Oxygen peak was not observed in all cases, presumably as a result of either consumptionmore »by the carbon or detection limit. CO2 profile correlates well with the phase transition and indirectly suggests the oxygen release of the cathode. Introducing NCM into LMO has two effects: first, it makes the high temperature rock-salt phase formation more complicated with more peaks in CO2 profile due to different MO (M = Ni, Mn, Co) phases; secondly, the onset temperature of CO2 release is lowered, implying lowered oxygen release temperature. Upon heating, XRD patterns indicate the NCM part reacts first, followed by the LMO part. This confirms the better thermal stability of LMO over NCM.« less

  10. Thermal stability in the blended lithium manganese oxide – Lithium nickel cobalt manganese oxide cathode materials: An in situ time-resolved X-Ray diffraction and mass spectroscopy study

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

    Hu, Enyuan [Brookhaven National Lab. (BNL), Upton, NY (United States); Bak, Seong Min [Brookhaven National Lab. (BNL), Upton, NY (United States); Senanayake, Sanjaya D. [Brookhaven National Lab. (BNL), Upton, NY (United States); Yang, Xiao-Qing [Dongguk Univ., Seoul (Korea, Republic of). Dept. of Energy and Materials Engineering; Nam, Kyung-Wan [Dongguk Univ., Seoul (Korea, Republic of). Dept. of Energy and Materials Engineering] (ORCID:0000000162786369); Zhang, Lulu [Hong Kong Univ. of Science and Technology, Clear Water Bay (Hong Kong); Shao, Minhua

    2015-03-01T23:59:59.000Z

    Thermal stabilities of a series of blended LiMn2O4(LMO)-LiNi1/3Co1/3Mn1/3O2 (NCM) cathode materials with different weight ratios were studied by in situ time-resolved X-ray diffraction (XRD) combined with mass spectroscopy in the temperature range of 25°C-580°C under helium atmosphere. Upon heating, the electrochemically delithiated LMO changed into Mn3O4 phase at around 250°C. Formation of MnO with rocksalt structure started at 520°C. This observation is in contrast to the previous report for chemically delithiate LMO in air, in which a process of ?-MnO2 transforming to ?-MnO2 was observed. Oxygen peak was not observed in all cases, presumably as a result of either consumption by the carbon or detection limit. CO2 profile correlates well with the phase transition and indirectly suggests the oxygen release of the cathode. Introducing NCM into LMO has two effects: first, it makes the high temperature rock-salt phase formation more complicated with more peaks in CO2 profile due to different MO (M = Ni, Mn, Co) phases; secondly, the onset temperature of CO2 release is lowered, implying lowered oxygen release temperature. Upon heating, XRD patterns indicate the NCM part reacts first, followed by the LMO part. This confirms the better thermal stability of LMO over NCM.

  11. Criticality Safety Scoping Study for the Transport of Weapons-Grade Mixed-Oxide Fuel Using the MO-1 Shipping Package

    SciTech Connect (OSTI)

    Dunn, M.E.; Fox, P.B.

    1999-05-01T23:59:59.000Z

    This report provides the criticality safety information needed for obtaining certification of the shipment of mixed-oxide (MOX) fuel using the MO-1 [USA/9069/B()F] shipping package. Specifically, this report addresses the shipment of non-weapons-grade MOX fuel as certified under Certificate of Compliance 9069, Revision 10. The report further addresses the shipment of weapons-grade MOX fuel using a possible Westinghouse fuel design. Criticality safety analysis information is provided to demonstrate that the requirements of 10 CFR S 71.55 and 71.59 are satisfied for the MO-1 package. Using NUREG/CR-5661 as a guide, a transport index (TI) for criticality control is determined for the shipment of non-weapons-grade MOX fuel as specified in Certificate of Compliance 9069, Revision 10. A TI for criticality control is also determined for the shipment of weapons-grade MOX fuel. Since the possible weapons-grade fuel design is preliminary in nature, this report is considered to be a scoping evaluation and is not intended as a substitute for the final criticality safety analysis of the MO-1 shipping package. However, the criticality safety evaluation information that is presented in this report does demonstrate the feasibility of obtaining certification for the transport of weapons-grade MOX lead test fuel using the MO-1 shipping package.

  12. Oxidative Tritium Decontamination System

    DOE Patents [OSTI]

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

    2006-02-07T23:59:59.000Z

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

  13. Controlled CO preferential oxidation

    DOE Patents [OSTI]

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

    1997-06-10T23:59:59.000Z

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

  14. ADVANCED OXIDATION PROCESS

    SciTech Connect (OSTI)

    Dr. Colin P. Horwitz; Dr. Terrence J. Collins

    2003-11-04T23:59:59.000Z

    The removal of recalcitrant sulfur species, dibenzothiophene and its derivatives, from automotive fuels is an integral component in the development of cleaner burning and more efficient automobile engines. Oxidative desulfurization (ODS) wherein the dibenzothiophene derivative is converted to its corresponding sulfoxide and sulfone is an attractive approach to sulfur removal because the oxidized species are easily extracted or precipitated and filtered from the hydrocarbon phase. Fe-TAML{reg_sign} activators of hydrogen peroxide (TAML is Tetra-Amido-Macrocyclic-Ligand) catalytically convert dibenzothiophene and its derivatives rapidly and effectively at moderate temperatures (50-60 C) and ambient pressure to the corresponding sulfoxides and sulfones. The oxidation process can be performed in both aqueous systems containing alcohols such as methanol, ethanol, or t-butanol, and in a two-phase hydrocarbon/aqueous system containing tert-butanol or acetonitrile. In the biphasic system, essentially complete conversion of the DBT to its oxidized products can be achieved using slightly longer reaction times than in homogeneous solution. Among the key features of the technology are the mild reaction conditions, the very high selectivity where no over oxidation of the sulfur compounds occurs, the near stoichiometric use of hydrogen peroxide, the apparent lack of degradation of sensitive fuel components, and the ease of separation of oxidized products.

  15. Zinc sorption by iron oxides and soil samples

    E-Print Network [OSTI]

    Yli-Halla, Markku Juhani

    1989-01-01T23:59:59.000Z

    (Head of Department) May 1989 ABSTRACT Zinc Sorption by Iron Oxides and Soil Samples. (May 1989) Markku Juhani Yli-Halla, M. S. University of Helsinki, Finland Chair of Advisory Committee: Dr. Richard H. Loeppert Zn sorption by synthetic Fe oxide... and soil samples was studied. The purpose was to examine the effect of crystallinity and adsorbed silica on Zn adsorption by synthetic Fe oxide using goethite and ferrihydrite as test materials. Zn sorption by acid soil samples from Finland and a...

  16. Density Functional Theory Studies of the Electronic Structure...

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

    Theory Studies of the Electronic Structure of Solid State Actinide Oxides. Density Functional Theory Studies of the Electronic Structure of Solid State Actinide Oxides. Abstract:...

  17. Oxidation of propylene over copper oxide catalysts 

    E-Print Network [OSTI]

    Billingsley, David Stuart

    1958-01-01T23:59:59.000Z

    sulfate of either sodium, potassium, lithium, rubidium or cesium. The active agent was prepared in the form of a slurry which was deposited on the carrier by agitating the two materials together. The carrier was alumina or silicon carbide. Oxidation... welded on each end. On the bottom of the tank was a drain connection which was closed; the tank also contained a thermometer well. The tank was connected to the vent system through a needle valve and also through a safety valve which was set...

  18. Economics of nuclear fuel cycles : option valuation and neutronics simulation of mixed oxide fuels

    E-Print Network [OSTI]

    De Roo, Guillaume

    2009-01-01T23:59:59.000Z

    In most studies aiming at the economic assessment of nuclear fuel cycles, a primary concern is to keep scenarios economically comparable. For Uranium Oxide (UOX) and Mixed Oxide (MOX) fuels, a traditional way to achieve ...

  19. Synthesis, structure and properties of high pressure and ambient pressure ternary vanadium oxides 

    E-Print Network [OSTI]

    Markkula, Mikael

    2013-11-28T23:59:59.000Z

    Transition metal oxides have been extensively studied during past decades. The purpose of this research was to synthesize new or little characterised transition metal oxides using high-pressure/high-temperature (HPHT) ...

  20. A Study on Formation and Thermal Stability of Nano-sized Oxide Clusters in Mechanically Alloyed NiAl for High Temperature Applications

    E-Print Network [OSTI]

    KIM, YONG-DEOG

    2012-01-01T23:59:59.000Z

    IN MECHANICALLY ALLOYED ODS STEEL. Journal of Materialscompressive properties of ODS MA NiAl. Scripta Materialia,TEM imaging and EELS study of ODS particles and argon-filled

  1. Size Effect of Ruthenium Nanoparticles in Catalytic Carbon Monoxide Oxidation

    SciTech Connect (OSTI)

    Joo, Sang Hoon; Park, Jeong Y.; Renzas, J. Russell; Butcher, Derek R.; Huang, Wenyu; Somorjai, Gabor A.

    2010-04-04T23:59:59.000Z

    Carbon monoxide oxidation over ruthenium catalysts has shown an unusual catalytic behavior. Here we report a particle size effect on CO oxidation over Ru nanoparticle (NP) catalysts. Uniform Ru NPs with a tunable particle size from 2 to 6 nm were synthesized by a polyol reduction of Ru(acac){sub 3} precursor in the presence of poly(vinylpyrrolidone) stabilizer. The measurement of catalytic activity of CO oxidation over two-dimensional Ru NPs arrays under oxidizing reaction conditions (40 Torr CO and 100 Torr O{sub 2}) showed an activity dependence on the Ru NP size. The CO oxidation activity increases with NP size, and the 6 nm Ru NP catalyst shows 8-fold higher activity than the 2 nm catalysts. The results gained from this study will provide the scientific basis for future design of Ru-based oxidation catalysts.

  2. Enhanced mercury oxidation

    SciTech Connect (OSTI)

    Gretta, W.J.; Wu, S.; Kikkawa, H. [Hitachi Power Systems America, Basting Ridge, NJ (United States)

    2009-06-15T23:59:59.000Z

    A new catalyst offers a new way to enhance mercury control from bituminous coal-fired power plants. Hitachi has developed an SCR catalyst which satisfies high Hg{sup 0} oxidation and low SO{sub 2} oxidation requirements under high temperatures (716 to 770 F). This triple action catalysts, TRAC can significantly enhance mercury oxidation and reduce or eliminate the need for additional mercury control measures such as activated carbon injection. After laboratory testing, pilot-scale tests confirmed an activity of 1.4-1.7 times higher than that of conventional SCR catalyst. The new catalyst has been successfully applied in a commercial PRB-fired boiler without the need for halogens to be added to the fuel feed or flue gas. 2 figs.

  3. Methanol partial oxidation reformer

    DOE Patents [OSTI]

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

    1999-01-01T23:59:59.000Z

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

  4. Methanol partial oxidation reformer

    DOE Patents [OSTI]

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

    2001-01-01T23:59:59.000Z

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

  5. Methanol partial oxidation reformer

    DOE Patents [OSTI]

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

    1999-08-24T23:59:59.000Z

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

  6. Methanol partial oxidation reformer

    DOE Patents [OSTI]

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

    1999-08-17T23:59:59.000Z

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

  7. Low temperature oxidation of plutonium

    SciTech Connect (OSTI)

    Nelson, Art J. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Roussel, Paul [AWE, Aldermaston, Reading, Berkshire, RG7 4PR (United Kingdom)

    2013-05-15T23:59:59.000Z

    The initial oxidation of gallium stabilized {delta}-plutonium metal at 193 K has been followed using x-ray photoelectron spectroscopy. On exposure to Langmuir quantities of oxygen, plutonium rapidly forms a trivalent oxide followed by a tetravalent plutonium oxide. The growth modes of both oxides have been determined. Warming the sample in vacuum, the tetravalent oxide reduces to the trivalent oxide. The kinetics of this reduction reaction have followed and the activation energy has been determined to be 38.8 kJ mol{sup -1}.

  8. Superior catalysts for selective catalytic reduction of nitric oxide. Quarterly technical progress report, January 1, 1995--March 31, 1995

    SciTech Connect (OSTI)

    Li, W.B.; Yang, R.T.

    1995-12-01T23:59:59.000Z

    During this quarter, progress was made on the following tasks: TPD techniques were employed to study the reaction mechanism of the selective catalytic reduction of nitrogen oxide with ammonia over iron oxide pillared clay catalyst; and a sulfur dioxide resistant iron oxide/titanium oxide catalyst was developed.

  9. Characterization of Amorphous Zinc Tin Oxide Semiconductors....

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

    Amorphous Zinc Tin Oxide Semiconductors. Characterization of Amorphous Zinc Tin Oxide Semiconductors. Abstract: Amorphous zinc tin oxide (ZTO) was investigated to determine the...

  10. Tetraalklylammonium polyoxoanionic oxidation catalysts

    DOE Patents [OSTI]

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

    1998-10-06T23:59:59.000Z

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

  11. Tetraalykylammonium polyoxoanionic oxidation catalysts

    DOE Patents [OSTI]

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

    1998-01-01T23:59:59.000Z

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

  12. Enhanced Half-Metallicity in Edge-Oxidized Zigzag Graphene

    E-Print Network [OSTI]

    Hod, Oded

    Enhanced Half-Metallicity in Edge-Oxidized Zigzag Graphene Nanoribbons Oded Hod,* Vero´nica Barone theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene with nanometer scale dimen- sions. Recently, a new type of graphene-based material was experimentally realized.12

  13. Tunable Electrical Conductivity of Individual Graphene Oxide Sheets

    E-Print Network [OSTI]

    implementation is its mass production, and the chemical exfoliation of graphite through oxidation. Alternative approaches to large-scale production of graphene, such as the thermal exfoliation of graphite oxide3 and the liquid-phase exfoliation of graphite4 and expandable graphite5 powders, are also studied

  14. Nitrogen Dioxide Absorption and Sulfite Oxidation in Aqueous Sulfite

    E-Print Network [OSTI]

    Rochelle, Gary T.

    Nitrogen Dioxide Absorption and Sulfite Oxidation in Aqueous Sulfite C H E N H . S H E N A N D G by absorption in sulfite solution in existing scrubbers for desulfurization. Rates of NO2 absorption and sulfite absorption initiates sulfite oxidation in the presence of oxygen, and this study quantified the effect

  15. atr high-power mixed-oxide: Topics by E-print Network

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

    2 Study of lithium diffusion in RF sputtered NickelVanadium mixed oxides thin films Energy Storage, Conversion and Utilization Websites Summary: Study of lithium diffusion in RF...

  16. Nanostructured transition metal oxides useful for water oxidation catalysis

    DOE Patents [OSTI]

    Frei, Heinz M; Jiao, Feng

    2013-12-24T23:59:59.000Z

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

  17. SOLID OXIDE PLANAR AND TUBULAR SOLID OXIDE FUEL

    E-Print Network [OSTI]

    Mease, Kenneth D.

    SOLID OXIDE PLANAR AND TUBULAR SOLID OXIDE FUEL CELLS Dynamic Simulation Approach Modular Approach: Individual simulation modules for each fuel cell type · Tubular SOFC · Planar SOFC · MCFC · PEM Reformer · Slow pressure transients #12;Fuel Cell Assumptions · H2 electrochemically oxidized only · CO consumed

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

    E-Print Network [OSTI]

    Collins, Gary S.

    Oxidative Reforming of Biodiesel Over Molybdenum (IV) Oxide Jessica Whalen, Oscar Marin Flores, Su University INTRODUCTION Energy consumption continues to skyrocket worldwide. Biodiesel is a renewable fuel as potential feedstock in solid oxide fuel cells. Petroleum based fuels become scarcer daily, and biodiesel

  19. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

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

    2013-04-16T23:59:59.000Z

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

  20. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

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

    2012-09-11T23:59:59.000Z

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

  1. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

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

    2014-05-20T23:59:59.000Z

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

  2. Doped zinc oxide microspheres

    DOE Patents [OSTI]

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

    1993-12-14T23:59:59.000Z

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

  3. Highly oxidized superconductors

    DOE Patents [OSTI]

    Morris, Donald E. (Kensington, CA)

    1994-01-01T23:59:59.000Z

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known syntheses in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed.

  4. Highly oxidized superconductors

    DOE Patents [OSTI]

    Morris, D.E.

    1994-09-20T23:59:59.000Z

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known synthesis in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed. 16 figs.

  5. Optically transparent yttrium oxide

    SciTech Connect (OSTI)

    Hartnett, T.; Greenberg, M.; Gentilman, R.L.

    1988-08-02T23:59:59.000Z

    A body is described comprising at least 99.9% yttrium oxide having a density of at least 99% of theoretically density, a sample of the body having a in-line transmission of at least 73%, over a wavelength range of 2-5 microns with the sample having a thickness of 0.375 inches.

  6. An ab initio study of the electronic structure of the boron oxide neutral (BO), cationic (BO{sup +}), and anionic (BO{sup ?}) species

    SciTech Connect (OSTI)

    Magoulas, Ilias; Kalemos, Apostolos, E-mail: kalemos@chem.uoa.gr [Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis, Athens 15771 (Greece)

    2014-09-28T23:59:59.000Z

    The BO neutral, cationic, and anionic molecular species have been painstakingly studied through multireference configuration interaction and single reference coupled cluster methods employing basis sets of quintuple cardinality. Potential energy curves have been constructed for 38 (BO), 37 (BO{sup +}), and 12 (BO{sup ?}) states and the usual molecular parameters have been extracted most of which are in very good agreement with the scarce experimental data. Numerous avoided crossings appear on more or less all of the studied states of the neutral and cationic species challenging the validity of the Born Oppenheimer approximation. Finally, all excited states of the anionic system lie above the ground state of the neutral BO system and are therefore resonances.

  7. REVIEW OF PLUTONIUM OXIDATION LITERATURE

    SciTech Connect (OSTI)

    Korinko, P.

    2009-11-12T23:59:59.000Z

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

  8. Doped palladium containing oxidation catalysts

    DOE Patents [OSTI]

    Mohajeri, Nahid

    2014-02-18T23:59:59.000Z

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

  9. Inhibition of Oxidation in Nuclear Graphite

    SciTech Connect (OSTI)

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

    2013-10-01T23:59:59.000Z

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

  10. Activation of flue gas nitrogen oxides by transition metal complexes

    SciTech Connect (OSTI)

    Miller, M.E.; Finseth, D.H.; Pennline, H.W.

    1987-01-01T23:59:59.000Z

    Sulfur and nitrogen oxides are major flue gas pollutants released by coal-fired electric power plants. In the atmosphere these oxides are converted to sulfuric and nitric acids, which contribute to the acid rain problem. Most of the nitrogen oxides (90%-95%) present in coal-derived flue gas exist as the relatively inert and water-insoluble nitric oxide (NO), thus presenting a difficult removal problem. A practical strategy for nitrogen oxides removal might utilize a solid support that has been impregnated with an active transition metal complex. Some supported transition metals are expected to remove NO/sub x/ by sorption, with regeneration of the sorbent being a necessary property. Others catalyze NO oxidation to the more soluble NO/sub 2/ and N/sub 2/O/sub 5/, which has been demonstrated for certain transition metal species. These activated nitrogen oxides can be more efficiently removed along with SO/sub 2/ in conventional scrubbing or spray-drying processes, in which an aqueous slurry of sorbent, such as hydrated lime, is injected into the hot flue gas. We present here preliminary studies intended to establish basic homogeneous chemistry of transition metal complexes with nitrogen oxides. The transition metals considered in this work are volatile carbonyl complexes. This work is the first step in the development of supported metal species for enhanced nitrogen oxides removal.

  11. Graphene and Graphene Oxide: Biofunctionalization and Applications...

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

    and Graphene Oxide: Biofunctionalization and Applications in Biotechnology. Graphene and Graphene Oxide: Biofunctionalization and Applications in Biotechnology. Abstract: Graphene...

  12. Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals

    E-Print Network [OSTI]

    Southern California, University of

    films that form on aluminum and aluminum alloys in air protect the surface against further oxidationMolecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single Abstract The oxidation of aluminum single crystals is studied using molecular dynamics (MD) simulations

  13. Partial oxidation of methanol over highly dispersed vanadia supported on silica SBA-15

    E-Print Network [OSTI]

    Bell, Alexis T.

    Partial oxidation of methanol over highly dispersed vanadia supported on silica SBA-15 C. Hessa 2005; accepted 6 August 2005 The partial oxidation of methanol to formaldehyde (FA) was studied over vanadia partly agglomerates into vanadia crystallites during methanol oxidation. KEY WORDS: supported

  14. Intra-channel mass and heat-transfer modeling in diesel oxidation catalysts

    E-Print Network [OSTI]

    Tennessee, University of

    02FCC-140 Intra-channel mass and heat-transfer modeling in diesel oxidation catalysts Kalyana transfer in modeling the performance of diesel oxidation catalysts. Many modeling studies have assumed experimental measurements of CO and hydrocarbon oxidation in diesel exhaust re- veal that actual mass

  15. Dissolution of Nickel Oxide in a Smelter Contaminated Soil. (S02-mcnear100330-Oral)

    E-Print Network [OSTI]

    Sparks, Donald L.

    Dissolution of Nickel Oxide in a Smelter Contaminated Soil. (S02-mcnear100330-Oral) Abstract: Aerially dispersed nickel oxide particles from a nickel smelter were studied. SXRF mapping and SEM imaging XAFS and micro-XAFS analysis, indicates that nickel oxide (NiO) and nickel hydroxide (alpha -Ni(OH)2

  16. Nanocrystals Embedded Zirconium-doped Hafnium Oxide High-k Gate Dielectric Films

    E-Print Network [OSTI]

    Lin, Chen-Han

    2012-10-19T23:59:59.000Z

    , can be expected. In this study, the ZrHfO high-k MOS capacitors that separately contain nanocrystalline ruthenium oxide (nc-RuO), indium tin oxide (nc-ITO), and zinc oxide (nc-ZnO) have been successfully fabricated by the sputtering deposition method...

  17. Start | Author Index 742-1 Methylarsenate Sorption to Aluminum Oxide.

    E-Print Network [OSTI]

    Sparks, Donald L.

    Start | Author Index 742-1 Methylarsenate Sorption to Aluminum Oxide. Wednesday, 8 October 2008: 1 is to investigate MMA and DMA sorption behavior to aluminum oxide employing a multi-scale approach. Macroscopic) spectroscopic studies to examine sorption complex formation between methylarsenate and aluminum oxide. See more

  18. Kinetics of local probe oxidation of ultrathin V, Nb, Ta, Ti, TiN, and W metal films

    SciTech Connect (OSTI)

    Sagunova, I. V., E-mail: pcfme@miee.ru; Shevyakov, V. I.; Gavrilov, S. A.; Belov, A. N. [Moscow Institute of Electronic Technology (Technical University) (Russian Federation)

    2010-12-15T23:59:59.000Z

    The specific features of the kinetics of local probe oxidation of ultrathin V, Nb, Ta, Ti, TiN, and W metal films are studied. It is established that the kinetics of the oxidation process depends on such properties of the material to be oxidized as the resistivity, the presence of a natural surface oxide film and its thickness, the relationship between the densities of the metal and oxide, and the electrochemical constant of the oxidation process. For the material that provides a high efficiency of formation of local insulator nanoregions, vanadium is chosen, since this metal exhibits the maximum rate of anodic probe oxidation.

  19. Catalysis of Reduction and Oxidation Reactions for Application in Gas Particle Filters

    SciTech Connect (OSTI)

    Udron, L.; Turek, T.

    2002-09-19T23:59:59.000Z

    The present study is a first part of an investigation addressing the simultaneous occurrence of oxidation and reduction reactions in catalytic filters. It has the objectives (a) to assess the state of knowledge regarding suitable (types of) catalysts for reduction and oxidation, (b) to collect and analyze published information about reaction rates of both NOx reduction and VOC oxidation, and (c) to adjust a lab-scale screening method to the requirements of an activity test with various oxidation/reduction catalysts.

  20. Millisecond Oxidation of Alkanes

    Broader source: Energy.gov [DOE]

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

  1. A new approach to studying aqueous reactions using diffuse reflectance infrared Fourier transform spectrometry: application to the uptake and oxidation of SO2 on OH-processed model sea salt aerosol.

    E-Print Network [OSTI]

    Shaka', Huda; Robertson, W H; Finlayson-Pitts, Barbara J

    2007-01-01T23:59:59.000Z

    2 on OH-processed model sea salt aerosolw Huda Shaka’, W. H.point of the magnesium salt but below that of NaCl. ThisOH-processing of the salt. Further uptake and oxidation of

  2. Isothermal oxidation behavior of ternary Zr-Nb-Y alloys at high temperature

    SciTech Connect (OSTI)

    Prajitno, Djoko Hadi, E-mail: djokohp@batan.go.id [Research Center for Nuclear Materials and Radiometry, Jl. Tamansari 71, Bandung 40132 (Indonesia); Soepriyanto, Syoni; Basuki, Eddy Agus [Metallurgy Engineering, Institute Technology Bandung, Jl. Ganesha 10, Bandung 40132 (Indonesia); Wiryolukito, Slameto [Materials Engineering, Institute Technology Bandung, Jl. Ganesha 10, Bandung 40132 (Indonesia)

    2014-03-24T23:59:59.000Z

    The effect of yttrium content on isothermal oxidation behavior of Zr-2,5%Nb-0,5%Y, Zr-2,5%Nb-1%Y Zr-2,5%Nb-1,5%Y alloy at high temperature has been studied. High temperature oxidation carried out at tube furnace in air at 600,700 and 800°C for 1 hour. Optical microscope is used for microstructure characterization of the alloy. Oxidized and un oxidized specimen was characterized by x-ray diffraction. In this study, kinetic oxidation of Zr-2,5%Nb with different Y content at high temperature has also been studied. Characterization by optical microscope showed that microstructure of Zr-Nb-Y alloys relatively unchanged and showed equiaxed microstructure. X-ray diffraction of the alloys depicted that the oxide scale formed during oxidation of zirconium alloys is monoclinic ZrO2 while unoxidised alloy showed two phase ? and ? phase. SEM-EDS examination shows that depletion of Zr composition took place under the oxide layer. Kinetic rate of oxidation of zirconium alloy showed that increasing oxidation temperature will increase oxidation rate but increasing yttrium content in the alloys will decrease oxidation rate.

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

    SciTech Connect (OSTI)

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

    1986-08-01T23:59:59.000Z

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

  4. Nanostructured thin films for solid oxide fuel cells 

    E-Print Network [OSTI]

    Yoon, Jongsik

    2009-05-15T23:59:59.000Z

    The goals of this work were to synthesize high performance perovskite based thin film solid oxide fuel cell (TF-SOFC) cathodes by pulsed laser deposition (PLD), to study the structural, electrical and electrochemical properties of these cathodes...

  5. Iron-oxide catalyzed silicon photoanode for water splitting

    E-Print Network [OSTI]

    Jun, Kimin

    2011-01-01T23:59:59.000Z

    This thesis presents an integrated study of high efficiency photoanodes for water splitting using silicon and iron-oxide. The fundamental limitations of silicon to water splitting applications were overcome by an ultrathin ...

  6. Charge, orbital and magnetic ordering in transition metal oxides 

    E-Print Network [OSTI]

    Senn, Mark Stephen

    2013-06-29T23:59:59.000Z

    Neutron and x-ray diffraction has been used to study charge, orbital and magnetic ordering in some transition metal oxides. The long standing controversy regarding the nature of the ground state (Verwey structure) of the ...

  7. Magnetic Properties of Mesoporous and Nano-particulate Metal Oxides 

    E-Print Network [OSTI]

    Hill, Adrian H

    2009-01-01T23:59:59.000Z

    The magnetic properties of the first row transition metal oxides are wide and varied and have been studied extensively since the 1930’s. Observations that the magnetic properties of these material types change with the ...

  8. Oxides reactions with a high-chrome sesquioxide refractory

    SciTech Connect (OSTI)

    Rawers, James C.; Collins, W. Keith; Peck, M.

    2001-10-01T23:59:59.000Z

    In slagging coal-gasifier systems, the combination of oxides present as impurities in coal and combustion temperatures that can exceed 1650 degrees C restrict the use of liner materials in the coal combustion chambers to refractories. In this study, the slag-refractory interactions of a new high chrome sesquioxide refractory was characterized. High-temperature cup tests showed that the molten oxides infused into the refractory and that the sesquioxide refractory reacts with the oxides in a manner similar to spinel phase refractories. Studies of the coal slag’s individual oxide components showed CaO reacts with the chrome refractory to form a low melting Ca(CrO2)2. FeO reacts with the sesquioxide to form a interface layer of (Cr,Fe)3O4 spinel phase. Results of this study now make it possible to design studies for improving corrosion resistance to increase refractory life.

  9. Oxidative stress and oxidative damage in chemical carcinogenesis

    SciTech Connect (OSTI)

    Klaunig, James E., E-mail: jklauni@indiana.edu; Wang Zemin; Pu Xinzhu; Zhou Shaoyu

    2011-07-15T23:59:59.000Z

    Reactive oxygen species (ROS) are induced through a variety of endogenous and exogenous sources. Overwhelming of antioxidant and DNA repair mechanisms in the cell by ROS may result in oxidative stress and oxidative damage to the cell. This resulting oxidative stress can damage critical cellular macromolecules and/or modulate gene expression pathways. Cancer induction by chemical and physical agents involves a multi-step process. This process includes multiple molecular and cellular events to transform a normal cell to a malignant neoplastic cell. Oxidative damage resulting from ROS generation can participate in all stages of the cancer process. An association of ROS generation and human cancer induction has been shown. It appears that oxidative stress may both cause as well as modify the cancer process. Recently association between polymorphisms in oxidative DNA repair genes and antioxidant genes (single nucleotide polymorphisms) and human cancer susceptibility has been shown.

  10. Noble metal catalysts for oxidation of mercury in flue gas

    SciTech Connect (OSTI)

    Presto, A.A.; Granite, E.J.

    2008-04-01T23:59:59.000Z

    The use of precious metals and platinum group metals as catalysts for oxidation of mercury in flue gas is an active area of study. To date, field studies have recently focused on gold and palladium catalysts installed at pilot-scale. In this work, we introduce bench-scale results for gold, platinum, and palladium catalysts tested in realistic simulated flue gas. Initial results reveal intriguing characteristics of catalytic mercury oxidation and provide insight for future research.

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

    DOE Patents [OSTI]

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

    2002-11-05T23:59:59.000Z

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

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

    DOE Patents [OSTI]

    Dunning, John S.; Alman, David E.

    2002-11-05T23:59:59.000Z

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

  13. Zinc oxide varistors and/or resistors

    DOE Patents [OSTI]

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

    1993-01-01T23:59:59.000Z

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

  14. Zinc oxide varistors and/or resistors

    DOE Patents [OSTI]

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

    1993-07-27T23:59:59.000Z

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

  15. Mössbauer study of conductive oxide glass

    SciTech Connect (OSTI)

    Matsuda, Koken; Kubuki, Shiro [Tokyo Metropolitan University, Hachi-Oji, Tokyo 192-0397 (Japan); Nishida, Tetsuaki, E-mail: nishida@fuk.kindai.ac.jp [Kinki University, Iizuka, Fukuoka 820-8555 (Japan)

    2014-10-27T23:59:59.000Z

    Heat treatment of barium iron vanadate glass, BaO?Fe{sub 2}O{sub 3}?V{sub 2}O{sub 5}, at temperatures higher than crystallization temperature causes a marked decrease in resistivity (?) from several M?cm to several ?cm. {sup 57}Fe Mössbauer spectrum of heat-treated vanadate glass shows a marked decrease in quadrupole splitting (?) of Fe{sup III}, reflecting a structural relaxation, i.e., an increased symmetry of 'distorted' FeO{sub 4} and VO{sub 4} tetrahedra which are connected to each other by sharing corner oxygen atoms. Structural relaxation of 3D-network of vanadate glass accompanies a decrease in the activation energy for the conduction, reflecting a decreased energy gap between the donor level and conduction band. A marked increase in the conductivity was observed in CuO- or Cu{sub 2}O-containing barium iron vanadate glass after heat treatment at 450 °C for 30 min or more. 'n-type semiconductor model combined with small polaron hopping theory' was proposed in order to explain the high conductivity.

  16. Mechanistic Studies on the Wacker Oxidation

    E-Print Network [OSTI]

    Stoltz, Brian M.

    December 8, 2008 8 PM, 147 Noyes PdIICl4 2­ PdIICl3 ­ PdIICl2 ­ OH PdIICl OH PdIICl H3C HO PdIICl H O H3C H

  17. Test plan for thermogravimetric analyses of BWR spent fuel oxidation

    SciTech Connect (OSTI)

    Einziger, R.E.

    1988-12-01T23:59:59.000Z

    Preliminary studies indicated the need for additional low-temperature spent fuel oxidation data to determine the behavior of spent fuel as a waste form for a tuffy repository. Short-term thermogravimetric analysis tests were recommended in a comprehensive technical approach as the method for providing scoping data that could be used to (1) evaluate the effects of variables such as moisture and burnup on the oxidation rate, (2) determine operative mechanisms, and (3) guide long-term, low-temperature oxidation testing. The initial test series studied the temperature and moisture effects on pressurized water reactor fuel as a function of particle and grain size. This document presents the test matrix for studying the oxidation behavior of boiling water reactor fuel in the temperature range of 140 to 225{degree}C. 17 refs., 7 figs., 3 tabs.

  18. ARM - Oxides of Nitrogen

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadap Documentation TDMADAP : XDCnarrowbandheat fluxChinaNews : AMFAlaskaNewsOxides of Nitrogen

  19. Enhanced Thermal Conductivity Oxide Fuels

    SciTech Connect (OSTI)

    Alvin Solomon; Shripad Revankar; J. Kevin McCoy

    2006-01-17T23:59:59.000Z

    the purpose of this project was to investigate the feasibility of increasing the thermal conductivity of oxide fuels by adding small fractions of a high conductivity solid phase.

  20. Continuous lengths of oxide superconductors

    DOE Patents [OSTI]

    Kroeger, Donald M. (Knoxville, TN); List, III, Frederick A. (Andersonville, TN)

    2000-01-01T23:59:59.000Z

    A layered oxide superconductor prepared by depositing a superconductor precursor powder on a continuous length of a first substrate ribbon. A continuous length of a second substrate ribbon is overlaid on the first substrate ribbon. Sufficient pressure is applied to form a bound layered superconductor precursor powder between the first substrate ribbon and the second substrate ribbon. The layered superconductor precursor is then heat treated to establish the oxide superconducting phase. The layered oxide superconductor has a smooth interface between the substrate and the oxide superconductor.

  1. Buried oxide layer in silicon

    DOE Patents [OSTI]

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

    2001-01-01T23:59:59.000Z

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

  2. Operation of staged membrane oxidation reactor systems

    DOE Patents [OSTI]

    Repasky, John Michael

    2012-10-16T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    Nicholas, Jason.D.

    2007-01-01T23:59:59.000Z

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

  4. Local stress-induced effects on AlGaAs/AlOx oxidation front shape

    SciTech Connect (OSTI)

    Chouchane, F.; Almuneau, G., E-mail: almuneau@laas.fr; Arnoult, A.; Lacoste, G.; Fontaine, C. [CNRS, LAAS, 7 avenue du colonel Roche, F-31400 Toulouse (France); Univ de Toulouse, UPS, LAAS, F-31400 Toulouse (France); Cherkashin, N. [Univ de Toulouse, UPS, LAAS, F-31400 Toulouse (France); CNRS, CEMES, 29 Rue Jeanne Marvig, 31055 Toulouse Cedex 4 (France)

    2014-07-28T23:59:59.000Z

    The lateral oxidation of thick AlGaAs layers (>500?nm) is studied. An uncommon shape of the oxide tip is evidenced and attributed to the embedded stress distribution, inherent to the oxidation reaction. Experimental and numerical studies of the internal strain in oxidized Al{sub x}Ga{sub 1?x}As/GaAs structures were carried out by dark-field electron holography and finite element methods. A mapping of the strain distribution around the AlGaAs/oxide interface demonstrates the main role of internal stress on the shaping of the oxide front. These results demonstrate the high relevance of strain in oxide-confined III-V devices, in particular, with over-500-nm thick AlOx confinement layers.

  5. Textures of oxide films grown on nickel electrodeposits

    SciTech Connect (OSTI)

    Czerwinski, F.; Palumbo, G.; Szpunar, J.A.

    1998-10-13T23:59:59.000Z

    High-temperature corrosion properties of heat-resistant materials depend on the formation of a protective oxide layer on their surface, which inhibits further degradation. Among many factors affecting the oxide growth rate and its resistance to spallation, the crystallographic texture of the metallic substrate plays an important role. In this study, the authors explore the possibilities of modifying the surface texture of polycrystalline Ni using electrodeposition. In addition to analyzing the texture of metallic substrates and its evolution at high temperatures, the texture of oxide formed on each substrate is also considered.

  6. Application of a. Delta. P technique to monitor oxidation of Nigerian coals

    SciTech Connect (OSTI)

    Ogunsola, O.I.; Mikula, R.J. (Energy, Mines and Resources Canada, CANMET, Coal Research Lab., P.O. Bag 1280, Devon, Alberta (CA))

    1992-10-01T23:59:59.000Z

    In this paper, the results of a study on the effect of oxidation on the {Delta}P index and acidity of three Nigerian coals are reported. The coals are oxidized in air over a period of 35 days at both 100 and 50{degrees} C. The heating value, slurry pH (acidity), and the {Delta}P index of three Nigerian coal samples were monitored as a function of oxidation time. The results revealed a decrease in {Delta}P index and an increase in the acidity of all three coals with increase in oxidation time. The heating value of the coals was also reduced by the oxidation.

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

    SciTech Connect (OSTI)

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

    2014-10-21T23:59:59.000Z

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

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

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

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

    2014-10-21T23:59:59.000Z

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

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

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

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

    2014-10-21T23:59:59.000Z

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

  10. P-31 / Schlott P-31: Nodule Formation on Indium-Oxide Tin-Oxide

    E-Print Network [OSTI]

    P-31 / Schlott P-31: Nodule Formation on Indium-Oxide Tin-Oxide Sputtering Targets M. Schlott, M from indium-oxide tin-oxide (ITO) targets [1]. Unfor- tunately, black growths, or nodules, commonly isostatic pressing partly reduced powder mixtures of 90 wt.% indium-oxide and 10 wt.% tin-oxide [4

  11. Mechanism of water oxidation by [Ru(bda)(L)?]: The return of the "blue dimer"

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

    Concepcion, Javier J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Zhong, Diane K. [Brookhaven National Lab. (BNL), Upton, NY (United States); Szalda, David J. [Baruch College, New York, NY (United States); Muckerman, James T. [Brookhaven National Lab. (BNL), Upton, NY (United States); Fujita, Etsuko [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2015-01-01T23:59:59.000Z

    We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)?] including X-ray structure of intermediates, their reactivity, as well as pH-dependent electrochemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)?], revealing key features unavailable from solution studies with sacrificial oxidants.

  12. Metal oxide films on metal

    DOE Patents [OSTI]

    Wu, Xin D. (Los Alamos, NM); Tiwari, Prabhat (Los Alamos, NM)

    1995-01-01T23:59:59.000Z

    A structure including a thin film of a conductive alkaline earth metal oxide selected from the group consisting of strontium ruthenium trioxide, calcium ruthenium trioxide, barium ruthenium trioxide, lanthanum-strontium cobalt oxide or mixed alkaline earth ruthenium trioxides thereof upon a thin film of a noble metal such as platinum is provided.

  13. Detection of oxidation in human serum lipoproteins 

    E-Print Network [OSTI]

    Myers, Christine Lee

    2006-04-12T23:59:59.000Z

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

  14. Zinc Adsorption Effects on Arsenite Oxidation Kinetics at the

    E-Print Network [OSTI]

    Sparks, Donald L.

    Zinc Adsorption Effects on Arsenite Oxidation Kinetics at the Birnessite-Water Interface L A U R), directly oxidized As(III). However, these studies did not explore the role that cation adsorption has on As at the birnessite-water interface were investigated using batch adsorption experiments (0.1 g L-1; pH 4.5 and 6.0; I

  15. Zircaloy-4 oxidation at 1300 to 2400/sup 0/C

    SciTech Connect (OSTI)

    Prater, J.T.; Courtright, E.L.

    1987-04-01T23:59:59.000Z

    The oxidation kinetics of Zircaloy-4 in steam have been extended to 2400/sup 0/C. The ZrO/sub 2/ and ..cap alpha..-Zr layers display parabolic growth behavior over the entire temperature range studied. A discontinuity in the oxidation kinetics at 1510/sup 0/C causes rates to increase above those previously established by the Baker-Just relationship. This increase coincides with the tetragonal-to-cubic phase transformation in ZrO/sub 2-x/. No additional discontinuity in the oxide growth rate was observed when the metal phase melted. The effects of temperature gradients were taken into account, and corrected values representative of near-isothermal conditions were computed. Oxide growth was also measured in various steam-hydrogen mixtures at 1565/sup 0/C and 1815/sup 0/C. Hydrogen concentrations up to 90 mol% had no effect on oxidation kinetics. The rate-controlling factor appears to be diffusion through the oxide layer. Finally, the oxidation kinetics of prereacted Zircaloy-15 mol% UO/sub 2/ were measured at 1400 to 2150/sup 0/C. The rates were comparable to those obtained for Zircaloy above 1500/sup 0/C.

  16. Oxidation of methyl-substituted anilines in HSO/sub 3/F

    SciTech Connect (OSTI)

    Rudenko, A.P.; Aver'yanov, S.F.; Zarubin, M.Y.

    1985-10-01T23:59:59.000Z

    Oxidation reactions of aromatic amines involving electron transfers have been studied in various media. Methyl substituted anilines are oxidized in HSO/sub 3/F in the protonated form, in the aniline cation configuration. Theoretically, their oxidation should lead in the first step to the cation-radical of the aniline cation configuration. The authors study here the electron structure of these particles by the EPR method, their reaction capabilities, and preparative possibilities for utilizing aniline cation oxidation reactions in HSO/sub 3/F. Simultaneously, the structures of cation radicals formed from N-acetyl derivatives of several substituted anilines by the EPR method are studied.

  17. Manganese Oxidation In A Natural Marine Environment- San Antonio Bay

    E-Print Network [OSTI]

    Neyin, Rosemary Ogheneochuko

    2013-04-12T23:59:59.000Z

    ................................................................................................................. 24 REFERENCES .................................................................................................................. 25 vii LIST OF FIGURES Page Figure 1 Study Area in ANWR, San Antonio Bay, Texas... by microorganisms, colloidal matter, mineral surfaces, or all three; and (3) is superoxide a significant proximal oxidant? 4 STUDY AREA The area chosen for this study was located in the Aransas National Wildlife Refuge (ANWR) in San Antonio...

  18. Spectroscopic Characterization of a Multiband Complex Oxide:...

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

    a Multiband Complex Oxide: Insulating and Conducting Cement 12CaO·7AlO. Spectroscopic Characterization of a Multiband Complex Oxide: Insulating and Conducting Cement...

  19. New manganese catalyst for light alkane oxidation

    DOE Patents [OSTI]

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

    1994-01-01T23:59:59.000Z

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

  20. Precise Application of Transparent Conductive Oxide Coatings...

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

    Application of Transparent Conductive Oxide Coatings for Flat Panel Displays and Photovoltaic Cells Technology available for licensing: New transparent conducting oxide (TCO)...

  1. Chapter 6: Thallium-Oxide Superconductors

    SciTech Connect (OSTI)

    Bhattacharya, R. N.

    2010-01-01T23:59:59.000Z

    This chapter has 2 sections titled: (1) Spray-Deposited, TI-Oxide Films, and (2) Electrodeposited Ti-Oxide Superconductors.

  2. Manganese Oxide Composite Electrodes for Lithium Batteries |...

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

    Manganese Oxide Composite Electrodes for Lithium Batteries Technology available for licensing: Improved spinel-containing "layered-layered" lithium metal oxide electrodes Materials...

  3. XPS Determination of Uranium Oxidations States. | EMSL

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

    extent, are relatively insensitive to compositionstructure within the oxide-hydroxide-hydrate system and can be used to both identify and help quantify U oxidation states in mixed...

  4. Ethanol oxidation on metal oxide-supported platinum catalysts

    SciTech Connect (OSTI)

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

    2009-09-01T23:59:59.000Z

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

  5. Fundamentals of Mercury Oxidation in Flue Gas

    SciTech Connect (OSTI)

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

    2006-07-31T23:59:59.000Z

    The objective of this project is to understand the importance of and the contribution of gas-phase and solid-phase coal constituents in the mercury oxidation reactions. The project involves both experimental and modeling efforts. The team is comprised of the University of Utah, Reaction Engineering International, and the University of Connecticut. The objective is to determine the experimental parameters of importance in the homogeneous and heterogeneous oxidation reactions; validate models; and, improve existing models. Parameters to be studied include HCl, NO{sub x}, and SO{sub 2} concentrations, ash constituents, and temperature. This report summarizes Year 3 results for the experimental and modeling tasks. Experiments have been completed on the effects of chlorine. However, the experiments with sulfur dioxide and NO, in the presence of water, suggest that the wet-chemistry analysis system, namely the impingers, is possibly giving erroneous results. Future work will investigate this further and determine the role of reactions in the impingers on the oxidation results. The solid-phase experiments have not been completed and it is anticipated that only preliminary work will be accomplished during this study.

  6. Aromatics oxidation and soot formation in flames

    SciTech Connect (OSTI)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T.

    1993-04-01T23:59:59.000Z

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify, and to confirm or determine rate constants for, the main benzene oxidation reactions in flames, and to characterize soot and fullerenes and their formation mechanisms and kinetics. Stable and radical species profiles in the aromatics oxidation study are measured using molecular beam sampling with on-line mass spectrometry. The rate of soot formation measured by conventional optical techniques is found to support the hypotheses that particle inception occurs through reactive coagulation of high molecular weight PAH in competition with destruction by OHattack, and that the subsequent growth of the soot mass occurs through addition reactions of PAH and C[sub 2]H[sub 2] with the soot particles. During the first year of this reporting period, fullerenes C[sub 60] and C[sub 70] in substantial quantities were found in the flames being studied. The fullerenes were recovered, purified and spectroscopically identified. The yields of C[sub 60] and C[sub 70] were then determined over ranges of conditions in low-pressure premixed flames of benzene and oxygen.

  7. Study of the effect of the acid-base surface properties of ZnO, Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} oxides on their gas sensitivity to ethanol vapor

    SciTech Connect (OSTI)

    Karpova, S. S., E-mail: sskarpova@list.ru; Moshnikov, V. A.; Maksimov, A. I. [St. Petersburg State Electrotechnical University 'LETI' (Russian Federation)] [St. Petersburg State Electrotechnical University 'LETI' (Russian Federation); Mjakin, S. V. [St. Petersburg State Institute of Technology (Technical University) (Russian Federation)] [St. Petersburg State Institute of Technology (Technical University) (Russian Federation); Kazantseva, N. E. [Tomas Bata University in Zlin (Czech Republic)] [Tomas Bata University in Zlin (Czech Republic)

    2013-08-15T23:59:59.000Z

    Binary (ZnO, Fe{sub 2}O{sub 3}) and ternary (ZnFe{sub 2}O{sub 4}) gas-sensitive oxide materials are synthesized, and the correlation between their sensitivity to ethanol vapor and the functional chemical composition of the surface is studied by X-ray photoelectron spectroscopy and by the technique of the adsorption of acid-base indicators. It is found that the sensitivity to ethanol increases with increasing content of Broensted acid sites with the acidity index pK{sub a} Almost-Equal-To 2.5 and with increasing percentage of surface oxygen involved in OH/CO{sub 3}/C-O groups. This interrelation is attributed to the specific features of interaction between ethanol molecules and hydroxyl groups on the surface of the oxides.

  8. A Dual Platform for Selective Analyte Enrichment and Ionization in Mass Spectrometry Using Aptamer-Conjugated Graphene Oxide

    E-Print Network [OSTI]

    Tan, Weihong

    -Conjugated Graphene Oxide Basri Gulbakan, Emir Yasun, M. Ibrahim Shukoor, Zhi Zhu, Mingxu You, Xiaohong Tan,, Hernan: This study demonstrates the use of aptamer-conju- gated graphene oxide as an affinity extraction a matrix and with greatly improved signal- to-noise ratios. Aptamer-conjugated graphene oxide has clear

  9. Effects of microstructure on native oxide scale development and electrical characteristics of eutectic CuCu6La alloys

    E-Print Network [OSTI]

    Alpay, S. Pamir

    , and the characteristics of the native oxide scales lead to contact resistances orders of magnitude higher than thoseEffects of microstructure on native oxide scale development and electrical characteristics atomic force microscopy techniques have been used to study the microstructure, oxide scale development

  10. Proceedings of the Lucerne Fuel Cell Forum 2006 European Solid Oxide Fuel Cell Forum, 3-7 July 2006

    E-Print Network [OSTI]

    Yildiz, Bilge

    Uncertainties in our understanding of the oxygen reduction mechanism (ORR) at solid oxide fuel cell (SOFCProceedings of the Lucerne Fuel Cell Forum 2006 7th European Solid Oxide Fuel Cell Forum, 3-7 July studies have shown that cathodic or anodic dc polarization of the solid oxide fuel cell oxygen electrodes

  11. Process for light-driven hydrocarbon oxidation at ambient temperatures

    DOE Patents [OSTI]

    Shelnutt, John A. (Tijeras, NM)

    1990-01-01T23:59:59.000Z

    A photochemical reaction for the oxidation of hydrocarbons uses molecular oxygen as the oxidant. A reductive photoredox cycle that uses a tin(IV)- or antimony(V)-porphyrin photosensitizer generates the reducing equivalents required to activate oxygen. This artificial photosynthesis system drives a catalytic cycle, which mimics the cytochrome P.sub.450 reaction, to oxidize hydrocarbons. An iron(III)- or manganese(III)-porphyrin is used as the hydrocarbon-oxidation catalyst. Methylviologen can be used as a redox relay molecule to provide for electron-transfer from the reduced photosensitizer to the Fe or Mn porphyrin. The system is long-lived and may be used in photo-initiated spectroscopic studies of the reaction to determine reaction rates and intermediates.

  12. Fabrication of a graphene-cuprous oxide composite

    SciTech Connect (OSTI)

    Xu Chao [Key Laboratory for Soft Chemistry and Functional Materials of Ministry Education, Nanjing University of Science and Technology, Nanjing 210094 (China); Wang Xin, E-mail: wxin@public1.ptt.js.c [Key Laboratory for Soft Chemistry and Functional Materials of Ministry Education, Nanjing University of Science and Technology, Nanjing 210094 (China); Yang Lichun; Wu Yuping [Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai 200433 (China)

    2009-09-15T23:59:59.000Z

    A composite of graphene-cuprous oxide (Cu{sub 2}O) was prepared using copper acetate-adsorbed graphene oxide (GO) sheets as precursors. In this composite, in-situ formed Cu{sub 2}O particles were derived from the adsorbed copper acetate which attached to graphene sheets and prevented the aggregation of the reduced graphene oxide sheets. The as-synthesized Cu{sub 2}O crystals were cube-like particles distributed randomly on the sheets due to the template effect of GO, consequently forming a graphene-Cu{sub 2}O cubes composite. A preliminary study on the electrochemical behavior of the graphene-Cu{sub 2}O composite used as anode material for lithium ion batteries was carried out. - Abstract: The graphene oxide sheets are reduced and almost exfoliated due to the in-situ formation of Cu{sub 2}O crystals deriving from the adsorbed copper acetate. Display Omitted

  13. Investigation of Mixed Oxide Catalysts for NO Oxidation

    SciTech Connect (OSTI)

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

    2014-12-09T23:59:59.000Z

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

  14. Compositional Tuning of Ultrathin Surface Oxides on Metal and...

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

    that the native oxide on 5%Ni-Al alloy is primarily composed of aluminum oxide with no nickel oxide whereas the photon-assisted oxide comprises of both aluminum oxide and nickel...

  15. The catalytic oxidation of ethylene and butenes with air: total aldehyde production and selectivity 

    E-Print Network [OSTI]

    Burns, John Cunningham

    1952-01-01T23:59:59.000Z

    wit!& oxygen. A study of t? o oxidation of ethyl&rue end of ethylene oxide soparetely re- vealed ti'at ti-, o oxidatio&& o. either compound rioldcd carbon dioxido and water directly, "xtensive kinetic studies led to tl. o proposal of a reaction...

  16. The catalytic oxidation of ethylene and butenes with air: total aldehyde production and selectivity

    E-Print Network [OSTI]

    Burns, John Cunningham

    1952-01-01T23:59:59.000Z

    wit!& oxygen. A study of t? o oxidation of ethyl&rue end of ethylene oxide soparetely re- vealed ti'at ti-, o oxidatio&& o. either compound rioldcd carbon dioxido and water directly, "xtensive kinetic studies led to tl. o proposal of a reaction...

  17. Synthesis and Characterization of Silica-Coated Iron Oxide Nanoparticles in Microemulsion: The Effect of Nonionic

    E-Print Network [OSTI]

    Tan, Weihong

    in magnetic disk drive spindles, optical memory devices, magnetic inks for bank checks, magnetic refrigeration, crystallinity, and the magnetic properties have been studied. The iron oxide nanoparticles are formed to study both uncoated and silica-coated iron oxide nanoparticles. All these particles show magnetic

  18. OH-initiated oxidation of benzene Part I. Phenol formation under atmospheric conditions

    E-Print Network [OSTI]

    OH-initiated oxidation of benzene Part I. Phenol formation under atmospheric conditions Rainer-radical initiated oxidation of benzene was studied in two simulation chambers: (1) the large-volume outdoor chamber-red spectroscopy (FTIR) were used to simultaneously measure phenol and benzene. The second study used only FTIR

  19. Advanced Photon Source Activity Report 2002 at Argonne National Laboratory, Argonne, IL, December 2003 - contribution title:"Microdiffraction Study of Epitaxial Growth and Lattice Tilts in Oxide Films on Polycrystalline Metal Substrates"

    SciTech Connect (OSTI)

    Budai, J.D.

    2004-03-18T23:59:59.000Z

    Texture, the preference for a particular crystallographic orientation in polycrystalline materials, plays an important role in controlling such diverse materials properties as corrosion resistance, recording density in magnetic media and electrical transport in superconductors [1]. Without texture, polycrystalline oxide superconductors contain many high-angle, weak-linked grain boundaries which reduce critical current densities by several orders of magnitude [2]. One approach for inducing texture in oxide superconductors has been the epitaxial growth of films on rolling-assisted biaxially-textured substrates (RABiTS) [3]. In this approach, rolled Ni foils are recrystallized under conditions that lead to a high degree of biaxial {l_brace}001{r_brace}<100> cube texture. Subsequent deposition of epitaxial oxide buffer layers (typically CeO{sub 2} and YSZ as chemical barriers) and superconducting YBCO preserves the lattice alignment, eliminating high-angle boundaries and enabling high critical current densities, J{sub c} > 10{sup 6}/cm{sup 2}. Conventional x-ray diffraction using {omega}- and {phi}-scans typically shows macroscopic biaxial texture to within {approx}5{sup o}-10{sup o} FWHM for all layers, but does not describe the local microstructural features that control the materials properties. Understanding and controlling the local texture and microstructural evolution of processes associated with heteroepitaxial growth, differential thermal contraction and cracking remain significant challenges in this complex system [4], as well as in many other technologically important thin-film applications.

  20. Oxides having high energy densities

    DOE Patents [OSTI]

    Ceder, Gerbrand; Kang, Kisuk

    2013-09-10T23:59:59.000Z

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

  1. Thermal oxidation procedure PREPARATION........................................................................................................................................... 2

    E-Print Network [OSTI]

    Hochberg, Michael

    procedure - 2 - Preparation. The preparation procedure sets up the power, gas supplies, cooling water, (DI to check all the supplies. Cooling water Gas supplies Routing DI water for wet oxidation We start........................................................................................................................................... 2 Step 1 Turn on the cooling water

  2. Emergent Phenomena at Oxide Interfaces

    SciTech Connect (OSTI)

    Hwang, H.Y.

    2012-02-16T23:59:59.000Z

    Transition metal oxides (TMOs) are an ideal arena for the study of electronic correlations because the s-electrons of the transition metal ions are removed and transferred to oxygen ions, and hence the strongly correlated d-electrons determine their physical properties such as electrical transport, magnetism, optical response, thermal conductivity, and superconductivity. These electron correlations prohibit the double occupancy of metal sites and induce a local entanglement of charge, spin, and orbital degrees of freedom. This gives rise to a variety of phenomena, e.g., Mott insulators, various charge/spin/orbital orderings, metal-insulator transitions, multiferroics, and superconductivity. In recent years, there has been a burst of activity to manipulate these phenomena, as well as create new ones, using oxide heterostructures. Most fundamental to understanding the physical properties of TMOs is the concept of symmetry of the order parameter. As Landau recognized, the essence of phase transitions is the change of the symmetry. For example, ferromagnetic ordering breaks the rotational symmetry in spin space, i.e., the ordered phase has lower symmetry than the Hamiltonian of the system. There are three most important symmetries to be considered here. (i) Spatial inversion (I), defined as r {yields} -r. In the case of an insulator, breaking this symmetry can lead to spontaneous electric polarization, i.e. ferroelectricity, or pyroelectricity once the point group belongs to polar group symmetry. (ii) Time-reversal symmetry (T) defined as t {yields} -t. In quantum mechanics, the time-evolution of the wave-function {Psi} is given by the phase factor e{sup -iEt/{h_bar}} with E being the energy, and hence time-reversal basically corresponds to taking the complex conjugate of the wave-function. Also the spin, which is induced by the 'spinning' of the particle, is reversed by time-reversal. Broken T-symmetry is most naturally associated with magnetism, since the spin operator changes sign with T-operation. (iii) Gauge symmetry (G), which is associated with a change in the phase of the wave-function as {Psi} {yields} e{sup i{theta}}{Psi}. Gauge symmetry is connected to the law of charge conservation, and broken G-symmetry corresponds to superconductivity/superfluidity. To summarize, the interplay among these electronic degrees of freedom produces various forms of symmetry breaking patterns of I, T, and G, leading to novel emergent phenomena, which can appear only by the collective behavior of electrons and cannot be expected from individual electrons. Figure 1 shows this schematically by means of several representative phenomena. From this viewpoint, the interfaces of TMOs offer a unique and important laboratory because I is already broken by the structure itself, and the detailed form of broken I-symmetry can often be designed. Also, two-dimensionality usually enhances the effects of electron correlations by reducing their kinetic energy. These two features of oxide interfaces produce many novel effects and functions that cannot be attained in bulk form. Given that the electromagnetic responses are a major source of the physical properties of solids, and new gauge structures often appear in correlated electronic systems, we put 'emergent electromagnetism' at the center of Fig. 1.

  3. The catalytic oxidation of propane 

    E-Print Network [OSTI]

    Sanderson, Charles Frederick

    1949-01-01T23:59:59.000Z

    THE CATALYTIC OXIDATION OP PROPANE A Thesis By Charles Frederick Sandersont * * June 1949 Approval as to style and content recommended: Head of the Department of Chemical Engineering THE CATALYTICi OXIDATTON OF PROPANE A Thesis By Charles... Frederick ;Sandersonit * June 1949 THE CATALYTIC OXIDATION OP PROPANE A Thesis Submitted to the Faculty of the Agricultural and Mechanical College of Texas in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy Major...

  4. The catalytic oxidation of propane

    E-Print Network [OSTI]

    Sanderson, Charles Frederick

    1949-01-01T23:59:59.000Z

    THE CATALYTIC OXIDATION OP PROPANE A Thesis By Charles Frederick Sandersont * * June 1949 Approval as to style and content recommended: Head of the Department of Chemical Engineering THE CATALYTICi OXIDATTON OF PROPANE A Thesis By Charles... Frederick ;Sandersonit * June 1949 THE CATALYTIC OXIDATION OP PROPANE A Thesis Submitted to the Faculty of the Agricultural and Mechanical College of Texas in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy Major...

  5. Metal oxide nanostructures with hierarchical morphology

    DOE Patents [OSTI]

    Ren, Zhifeng (Newton, MA); Lao, Jing Yu (Saline, MI); Banerjee, Debasish (Ann Arbor, MI)

    2007-11-13T23:59:59.000Z

    The present invention relates generally to metal oxide materials with varied symmetrical nanostructure morphologies. In particular, the present invention provides metal oxide materials comprising one or more metallic oxides with three-dimensionally ordered nanostructural morphologies, including hierarchical morphologies. The present invention also provides methods for producing such metal oxide materials.

  6. Reduction of Metal Oxide to Metal using Ionic Liquids

    SciTech Connect (OSTI)

    Dr. Ramana Reddy

    2012-04-12T23:59:59.000Z

    A novel pathway for the high efficiency production of metal from metal oxide means of electrolysis in ionic liquids at low temperature was investigated. The main emphasis was to eliminate the use of carbon and high temperature application in the reduction of metal oxides to metals. The emphasis of this research was to produce metals such as Zn, and Pb that are normally produced by the application of very high temperatures. The reduction of zinc oxide to zinc and lead oxide to lead were investigated. This study involved three steps in accomplishing the final goal of reduction of metal oxide to metal using ionic liquids: 1) Dissolution of metal oxide in an ionic liquid, 2) Determination of reduction potential using cyclic voltammetry (CV) and 3) Reduction of the dissolved metal oxide. Ionic liquids provide additional advantage by offering a wide potential range for the deposition. In each and every step of the process, more than one process variable has been examined. Experimental results for electrochemical extraction of Zn from ZnO and Pb from PbO using eutectic mixtures of Urea ((NH2)2CO) and Choline chloride (HOC2H4N(CH3)3+Cl-) or (ChCl) in a molar ratio 2:1, varying voltage and temperatures were carried out. Fourier Transform Infra-Red (FTIR) spectroscopy studies of ionic liquids with and without metal oxide additions were conducted. FTIR and induction coupled plasma spectroscopy (ICPS) was used in the characterization of the metal oxide dissolved ionic liquid. Electrochemical experiments were conducted using EG&G potentiostat/galvanostat with three electrode cell systems. Cyclic voltammetry was used in the determination of reduction potentials for the deposition of metals. Chronoamperometric experiments were carried out in the potential range of -0.6V to -1.9V for lead and -1.4V to -1.9V for zinc. The deposits were characterized using XRD and SEM-EDS for phase, morphological and elemental analysis. The results showed that pure metal was deposited on the cathode. Successful extraction of metal from metal oxide dissolved in Urea/ChCl (2:1) was accomplished. The current efficiencies were relatively high in both the metal deposition processes with current efficiency greater than 86% for lead and 95% for zinc. This technology will advance the metal oxide reduction process by increasing the process efficiency and also eliminate the production of CO2 which makes this an environmentally benign technology for metal extraction.

  7. Preparation and Characterization of Graphene Oxide Paper

    SciTech Connect (OSTI)

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

    2007-01-01T23:59:59.000Z

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

  8. Surface phases and their influence on metal-oxide interfaces. Progress report

    SciTech Connect (OSTI)

    Blakely, J.

    1993-01-01T23:59:59.000Z

    This project is concerned with adsorbed monolayers on metal surfaces and their effects on oxidation kinetics and metal-oxide adhesion; proposed work is a study of metallurgy of 2-dimensional systems with emphasis on binary adsorbed layers. Experimental techniques which can be used include electron diffraction, atomic force and tunneling microscopy, environmental SEM, and secondary electron spectroscopies. Intention is to try to extract information on adsorbate interactions through comparison with model predictions; initially simple pair interaction potentials will be used. Atomic steps on single crystal surfaces, which affect nucleation/growth of overlayers, will be extended to metal oxide systems to form atomic step arrays as preferential sites for surface nucleation of oxides etc. Adsorbed (or segregated) monolayers at metal/oxide interfaces also affect adhesion and further oxidation. S and O adsorption on Ni and NiFe alloy surfaces were studied and are discussed.

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

    E-Print Network [OSTI]

    Dunin-Borkowski, Rafal E.

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

  10. Millisecond Oxidation of Alkanes

    SciTech Connect (OSTI)

    Scott Han

    2011-09-30T23:59:59.000Z

    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.

  11. Catalytic hydrocarbon reactions over supported metal oxides. Progress report, April 1, 1994--January 31, 1995

    SciTech Connect (OSTI)

    Ekerdt, J.G.

    1995-01-31T23:59:59.000Z

    Oxide catalysis plays a central role in hydrocarbon processing and improvements in catalytic activity or selectivity are of great technological importance because these improvements will translate directly into more efficient utilization of hydrocarbon supplies and lower energy consumption in separation processes. An understanding of the relationships between surface structure and catalytic properties is needed to describe and improve oxide catalysts. Our approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. Our current research program is focused on studying the fundamental relationships between structure and reactivity for two important reactions that are present in many oxide-catalyzed processes, partial oxidation and carbon-carbon bond formation. Oxide catalysis can be a complex process with both metal cation and oxygen anions participating in the chemical reactions. From an energy perspective carbon-carbon bond formation is particularly relevant to CO hydrogenation in isosynthesis. Hydrogenolysis and hydrogenation form the basis for heteroatom removal in fuels processing. Understanding the catalysis of these processes (and others) requires isolating reaction steps in the overall cycle and determining how structure and composition influence the individual reaction steps. Specially designed oxides, such as we use, permit one to study some of the steps in oxidation, carbon-carbon coupling and heteroatom removal catalysis. During the course of our studies we have: (1) developed methods to form and stabilize various Mo and W oxide structures on silica; (2) studied C-H abstraction reactions over the fully oxidized cations; (3) studied C-C bond coupling by methathesis and reductive coupling of aldehydes and ketones over reduced cation structures; and (4) initiated a study of hydrogenation and hydrogenolysis over reduced cation structures.

  12. Oxidation Behavior and Chlorination Treatment to Improve Oxidation Resistance of Nb-Mo-Si-B Alloys

    SciTech Connect (OSTI)

    Vikas Behrani

    2004-12-19T23:59:59.000Z

    This thesis is written in an alternate format. The thesis is composed of a general introduction, two original manuscripts, and a general conclusion. References cited within each chapter are given at the end of each chapter. The general introduction starts with the driving force behind this research, and gives an overview of previous work on boron doped molybdenum silicides, Nb/Nb{sub 5}Si{sub 3} composites, boron modified niobium silicides and molybdenum niobium silicides. Chapter 2 focuses on the oxidation behavior of Nb-Mo-Si-B alloys. Chapter 3 contains studies on a novel chlorination technique to improve the oxidation resistance of Nb-Mo-Si-B alloys. Chapter 4 summarizes the important results in this study.

  13. Transparent conducting oxides and production thereof

    SciTech Connect (OSTI)

    Gessert, Timothy A.; Yoshida, Yuki; Coutts, Timothy J.

    2014-06-10T23:59:59.000Z

    Transparent conducting oxides and production thereof are disclosed. An exemplary method of producing a transparent conducting oxide (TCO) material may comprise: providing a TCO target doped with either a high-permittivity oxide or a low-permittivity oxide in a process chamber. The method may also comprise depositing a metal oxide on the target in the process chamber to form a thin film having enhanced optical properties without substantially decreasing electrical quality.

  14. Transparent conducting oxides and production thereof

    SciTech Connect (OSTI)

    Gessert, Timothy A; Yoshida, Yuki; Coutts, Timothy J

    2014-05-27T23:59:59.000Z

    Transparent conducting oxides and production thereof are disclosed. An exemplary method of producing a transparent conducting oxide (TCO) material may comprise: providing a TCO target (110) doped with either a high-permittivity oxide or a low-permittivity oxide in a process chamber (100). The method may also comprise depositing a metal oxide on the target (110) to form a thin film having enhanced optical properties without substantially decreasing electrical quality.

  15. High temperature oxidation behavior of austenitic stainless steel AISI 304 in steam of nanofluids contain nanoparticle ZrO2

    SciTech Connect (OSTI)

    Prajitno, Djoko Hadi, E-mail: djokohp@batan.go.id; Syarif, Dani Gustaman, E-mail: djokohp@batan.go.id [Research Center for Nuclear Materials and Radiometry, Jl. Tamansari 71, Bandung 40132 (Indonesia)

    2014-03-24T23:59:59.000Z

    The objective of this study is to evaluate high temperature oxidation behavior of austenitic stainless steel SS 304 in steam of nanofluids contain nanoparticle ZrO{sub 2}. The oxidation was performed at high temperatures ranging from 600 to 800°C. The oxidation time was 60 minutes. After oxidation the surface of the samples was analyzed by different methods including, optical microscope, scanning electron microscope (SEM) and X-ray diffraction (XRD). X-ray diffraction examination show that the oxide scale formed during oxidation of stainless steel AISI 304 alloys is dominated by iron oxide, Fe{sub 2}O{sub 3}. Minor element such as Cr{sub 2}O{sub 3} is also appeared in the diffraction pattern. Characterization by optical microscope showed that cross section microstructure of stainless steel changed after oxidized with the oxide scale on the surface stainless steels. SEM and x-ray diffraction examination show that the oxide of ZrO{sub 2} appeared on the surface of stainless steel. Kinetic rate of oxidation of austenite stainless steel AISI 304 showed that increasing oxidation temperature and time will increase oxidation rate.

  16. Activation of flue gas nitrogen oxides by transition metal complexes

    SciTech Connect (OSTI)

    Miller, M.E.; Finseth, D.H.; Pennline, H.W.

    1987-01-01T23:59:59.000Z

    Sulfur and nitrogen oxides are major flue gas pollutants released by coal-fired electric power plants. In the atmosphere these oxides are converted to sulfuric and nitric acids, which contribute to the acid rain problem. Most of the nitrogen oxides present in coal-derived flue gas exist as the relatively inert and water-insoluble nitric oxide (NO), thus presenting a difficult removal problem. We present preliminary studies intended to establish basic homogeneous chemistry of transition metal complexes with nitrogen oxides. The transition metals considered in this work are volatile carbonyl complexes. The metal carbonyls took up nitric oxide homogeneously in the gas phase. Iron required uv light for reaction with NO, but the same result is expected with the application of heat. Metal carbonyls also reacted with nitrogen dioxide but produced polynuclear metal species. Oxygen did not attack the carbonyl or nitrosyl complexes. Results indicate high potential for NO/sub x/ removal from stack gases by sorption onto supported metal carbonyl complexes. The solid form allows ease in separation from the flue gas. Regeneration of the sorbent might be achieved by treating with CO to liberate NO/sub x/ by displacement or by heating to decompose and drive off NO/sub x/.

  17. Catalytic hydrocarbon reactions over supported metal oxides. Final report, August 1, 1986--July 31, 1995

    SciTech Connect (OSTI)

    Ekerdt, J.G.

    1995-10-20T23:59:59.000Z

    Oxide catalysis plays a central role in hydrocarbon processing and improvements in catalytic activity or selectivity are of great technological importance because these improvements will translate directly into more efficient utilization of hydrocarbon supplies and lower energy consumption in separation processes. An understanding of the relationships between surface structure and catalytic properties is needed to describe and improve oxide catalysts. The approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. The current research program is focused on studying the fundamental relationships between structure and reactivity for two important reactions that are present in many oxide-catalyzed processes, partial oxidation and carbon-carbon bond formation. During the course of these studies the author has: (1) developed methods to form and stabilize various Mo and W oxide structures on silica; (2) studied C-H abstraction reactions over the fully oxidized cations; (3) studied C-C bond coupling by metathesis and reductive coupling of aldehydes and ketones over reduced cation structures; and (4) initiated a study of hydrogenation and hydrogenolysis over reduced cation structures.

  18. Properties and characterization of an oxide/oxide composite filter

    SciTech Connect (OSTI)

    Lane, J.E.; Painter, C.J.; Su, W.F.A.; Radford, K.C. [Westinghouse Electric Corp., Pittsburgh, PA (United States). Science and Technology Center; LeCostaouec, J.F. [Techniweave, Inc., Rochester, NH (United States)

    1996-12-31T23:59:59.000Z

    Westinghouse, with Techniweave as a major subcontractor, is conducting a three-phase program aimed at providing advanced candle filters for a 1997 pilot scale demonstration in one of the two hot gas filter system at Southern Company Service`s Wilsonville PSD Facility. This program`s objective is to develop an oxide CFCC (continuous fiber ceramic composite) candle filter that is cost competitive with prototype next generation filters through the development of a low cost sol-gel fabrication process and a 3D fiber architecture optimized for high volume filter manufacturing. Phase 1, Filter Material Development and Evaluation, results will be presented. Phase 1 activities included laboratory-scale development, characterization, and testing of a mullite matrix 3D fiber-reinforced (Nextel 550) ceramic composite filter material. Eleven 3D architectures were designed, preforms and ceramic matrix composite (CMC) filter materials were made, tested and evaluated. The CMC fabrication process was optimized for reduced cost and acceptable filter performance. Permeability, 4-pt bend and microstructural evaluation results, previously presented, were used to downselect to one 3D architecture and CMC processing method. The downselected filter material was fabricated and tested via permeability and 4-pt bend; Weibull modulus was determined. High-temperature flow-through corrosion tests and thermal aging tests in static air up to 5,000 h were conducted. SEM and XRD have been used to characterize microstructural and phase changes, if any, from high temperature exposure testing. Weaving feasibility studies for the flange and the closed end of a candle filter have been conducted in order to develop a low cost weaving method to make a single piece candle filter fiber preform. Results and conclusions for the evaluation of the downselected filter material above will be presented and discussed.

  19. On the Design of Oxide Films, Nanomaterials, and Heterostructures for Solar Water Oxidation Photoanodes

    E-Print Network [OSTI]

    Kronawitter, Coleman

    2012-01-01T23:59:59.000Z

    lower oxides of titanium, 25 this energy gap, as defined inlies at greater energies than reference titanium oxides. Thetitanium oxides have been comprehensively documented. 25,26,27,28 The two sets of local maxima over this energy

  20. Compositional Control of Surface Oxides on Metal Alloys using Photons: Dynamic Simulations and Experiments

    SciTech Connect (OSTI)

    Chang, C.; Sankaranarayanan, S; Ruzmetov, D; Engelhard, M; Kaxiras, E; Ramanathan, S

    2010-01-01T23:59:59.000Z

    We report on the ability to modify the structure and composition of ultrathin oxides grown on Ni and Ni-Al alloy surfaces at room temperature utilizing photon illumination. We find that the nickel-oxide formation is enhanced in the case of oxidation under photo-excitation. The enhanced oxidation kinetics of nickel in 5% Ni-Al alloy is corroborated by experimental and simulation studies of natural and photon-assisted oxide growth on pure Ni(100) surfaces. In case of pure Ni substrates, combined x-ray photoelectron spectroscopy analysis, and atomic force microscope current mapping support the deterministic role of the structure of nickel passive-oxide films on their nanoscale corrosion resistance. Atomistic simulations involving dynamic charge transfer predict that the applied electric field overcomes the activation-energy barrier for ionic migration, leading to enhanced oxygen incorporation into the oxide, enabling us to tune the mixed-oxide composition at atomic length scales. Atomic scale control of ultrathin oxide structure and morphology in the case of pure substrates as well as compositional tuning of complex oxide in the case of alloys leads to excellent passivity as verified from potentiodynamic polarization experiments.

  1. Method for hot pressing beryllium oxide articles

    DOE Patents [OSTI]

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

    1988-01-01T23:59:59.000Z

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

  2. Dry air oxidation kinetics of K-Basin spent nuclear fuel

    SciTech Connect (OSTI)

    Abrefah, J.; Buchanan, H.C.; Gerry, W.M.; Gray, W.J.; Marschman, S.C.

    1998-06-01T23:59:59.000Z

    The safety and process analyses of the proposed Integrated Process Strategy (IPS) to move the N-Reactor spent nuclear fuel (SNF) stored at K-Basin to an interim storage facility require information about the oxidation behavior of the metallic uranium. Limited experiments have been performed on the oxidation reaction of SNF samples taken from an N-Reactor outer fuel element in various atmospheres. This report discusses studies on the oxidation behavior of SNF using two independent experimental systems: (1) a tube furnace with a flowing gas mixture of 2% oxygen/98% argon; and (2) a thermogravimetric system for dry air oxidation.

  3. Solubility Behavior and Phase Stability of Transition Metal Oxides in Alkaline Hydrothermal Environments

    SciTech Connect (OSTI)

    S.E. Ziemniak

    2000-05-18T23:59:59.000Z

    The solubility behavior of transition metal oxides in high temperature water is interpreted by recognizing three types of chemical reaction equilibria: metal oxide hydration/dehydration, metal oxide dissolution and metal ion hydroxocomplex formation. The equilibria are quantified using thermodynamic concepts and the thermochemical properties of the metal oxides/ions representative of the most common constituents of construction metal alloys, i.e., element shaving atomic numbers between Z = 22 (Ti) and Z = 30 (Zn), are summarized on the basis of metal oxide solubility studies conducted in the laboratory. Particular attention is devoted to the uncharged metal ion hydrocomplex, M{sup Z}(OH){sub Z}(aq), since its thermochemical properties define minimum solubilities of the metal oxide at a given temperature. Experimentally-extracted values of standard partial molal entropy (S{sup 0}) for the transition metal ion neutral hydroxocomplex are shown to be influenced by ligand field stabilization energies and complex symmetry.

  4. Using CrAIN Multilayer Coatings to Improve Oxidation Resistance...

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

    Coatings to Improve Oxidation Resistance of Steel Interconnects for Solid Oxide Fuel Cell Stacks. Using CrAIN Multilayer Coatings to Improve Oxidation Resistance of Steel...

  5. MICROSTRUCTURE-PROPERTY RELATIONSHIPS OF A ZINC OXIDE VARISTOR MATERIAL

    E-Print Network [OSTI]

    Williama, Pamela Louise

    2011-01-01T23:59:59.000Z

    RELATIONSHIPS OF A ZINC OXIDE VARISTOR MATERIAL Pamelaresistors, and zinc oxide varistors are semiconductorRELATIONSHIPS OF A ZINC OXIDE VARISTOR MATERIAL CONTENTS

  6. Effects of Tungsten Oxide Addition on the Electrochemical Performance...

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

    Tungsten Oxide Addition on the Electrochemical Performance of Nanoscale Tantalum Oxide-Based Electrocatalysts for Effects of Tungsten Oxide Addition on the Electrochemical...

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

    SciTech Connect (OSTI)

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

    2011-04-25T23:59:59.000Z

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

  8. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Draper, R.; George, R.A.; Shockling, L.A.

    1993-04-06T23:59:59.000Z

    A solid oxide fuel cell generator has a pair of spaced apart tubesheets in a housing. At least two intermediate barrier walls are between the tubesheets and define a generator chamber between two intermediate buffer chambers. An array of fuel cells have tubes with open ends engaging the tubesheets. Tubular, axially elongated electrochemical cells are supported on the tubes in the generator chamber. Fuel gas and oxidant gas are preheated in the intermediate chambers by the gases flowing on the other side of the tubes. Gas leakage around the tubes through the tubesheets is permitted. The buffer chambers reentrain the leaked fuel gas for reintroduction to the generator chamber.

  9. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Draper, Robert (Churchill Boro, PA); George, Raymond A. (Pittsburgh, PA); Shockling, Larry A. (Plum Borough, PA)

    1993-01-01T23:59:59.000Z

    A solid oxide fuel cell generator has a pair of spaced apart tubesheets in a housing. At least two intermediate barrier walls are between the tubesheets and define a generator chamber between two intermediate buffer chambers. An array of fuel cells have tubes with open ends engaging the tubesheets. Tubular, axially elongated electrochemical cells are supported on the tubes in the generator chamber. Fuel gas and oxidant gas are preheated in the intermediate chambers by the gases flowing on the other side of the tubes. Gas leakage around the tubes through the tubesheets is permitted. The buffer chambers reentrain the leaked fuel gas for reintroduction to the generator chamber.

  10. Aromatic-radical oxidation chemistry

    SciTech Connect (OSTI)

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

    1993-12-01T23:59:59.000Z

    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.

  11. Structural characterization of terrestrial microbial Mn oxides from Pinal Creek, AZ

    SciTech Connect (OSTI)

    Bargar, John; Fuller, Christopher; Marcus, Matthew A.; Brearley, Adrian J.; Perez De la Rosa, M.; Webb, Samuel M.; Caldwell, Wendel A.

    2008-03-19T23:59:59.000Z

    The microbial catalysis of Mn(II) oxidation is believed to be a dominant source of abundant sorption- and redox-active Mn oxides in marine, freshwater, and subsurface aquatic environments. In spite of their importance, environmental oxides of known biogenic origin have generally not been characterized in detail from a structural perspective. Hyporheic zone Mn oxide grain coatings at Pinal Creek, Arizona, a metals-contaminated stream, have been identified as being dominantly microbial in origin and are well studied from bulk chemistry and contaminant hydrology perspectives. This site thus presents an excellent opportunity to study the structures of terrestrial microbial Mn oxides in detail. XRD and EXAFS measurements performed in this study indicate that the hydrated Pinal Creek Mn oxide grain coatings are layer-type Mn oxides with dominantly hexagonal or pseudo-hexagonal layer symmetry. XRD and TEM measurements suggest the oxides to be nanoparticulate plates with average dimensions on the order of 11 nm thick x 35 nm diameter, but with individual particles exhibiting thickness as small as a single layer and sheets as wide as 500 nm. The hydrated oxides exhibit a 10-A basal-plane spacing and turbostratic disorder. EXAFS analyses suggest the oxides contain layer Mn(IV) site vacancy defects, and layer Mn(III) is inferred to be present, as deduced from Jahn-Teller distortion of the local structure. The physical geometry and structural details of the coatings suggest formation within microbial biofilms. The biogenic Mnoxides are stable with respect to transformation into thermodynamically more stable phases over a time scale of at least 5 months. The nanoparticulate layered structural motif, also observed in pure culture laboratory studies, appears to be characteristic of biogenic Mn oxides and may explain the common occurrence of this mineral habit in soils and sediments.

  12. Production of Organic Oxygenates in the Partial Oxidation of Methane in a Silent Electric Discharge Reactor

    E-Print Network [OSTI]

    Mallinson, Richard

    Production of Organic Oxygenates in the Partial Oxidation of Methane in a Silent Electric Discharge help reduce the problem of global warming. There are vast reserves of natural gas around the world.1, Room T 335, Norman, Oklahoma 73019 This study on the partial oxidation of methane in a silent electric

  13. Characterization of catalytic lanthanum oxide for double bond isomerization of n-butenes

    E-Print Network [OSTI]

    Fox, Janan Sherlene

    1978-01-01T23:59:59.000Z

    are unfortunate in th1s series of oxides where reactivity patterns are expected to prevail. As part of a systematic study of the catalytic activity and sur- face properties of the lanthanide oxides, the behavior of La203 as a catalyst for double-bond migration...

  14. Thermally Activated, Inverted Interfacial Electron Transfer Kinetics: High Driving Force Reactions between Tin Oxide Nanoparticles and

    E-Print Network [OSTI]

    between Tin Oxide Nanoparticles and Electrostatically-Bound Molecular Reactants Dennis A. Gaal and Joseph: The kinetics and mechanism of fast electron transfer (ET) between tin oxide nanoparticles and electrostatically-order studies establish that, at least in the short time regime, electrons are transferred directly from the tin

  15. Low temperature oxidation of benzene and toluene in mixture with ndecane

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Low temperature oxidation of benzene and toluene in mixture with ndecane Olivier Herbinet Abstract The oxidation of two blends, benzene/ndecane and toluene/ndecane, was studied in a jetstirred of benzene, only phenol could be quantified. In the case of toluene, significant amounts

  16. Electrochemical impedance study of electrode-membrane assemblies in PEM fuel cells. 1: Electro-oxidation of H{sub 2} and H{sub 2}/CO mixtures on Pt-based gas-diffusion electrodes

    SciTech Connect (OSTI)

    Ciureanu, M.; Wang, H.

    1999-11-01T23:59:59.000Z

    In situ EIS data are presented on the anodic process in proton exchange membrane (PEM) fuel cells and the influence of CO poisoning of the Pt gas-diffusion electrodes (GDE) is examined. A characterization of the effects of interfacial kinetics in determining polarization losses in the presence of CO is performed by comparing impedance patterns obtained for cells of the type H{sub 2}/H{sub 2} with H{sub 2}/(H{sub 2} + CO). The impedance spectrum of the poisoned electrode is strongly dependent on potential and on the CO concentration in the gas feed. In the range between 0 and 0.3 V the impedance increases rapidly with the potential, while at potentials higher than 0.3 V a pseudoinductive behavior is observed, in which a positive loop at higher frequencies is accompanied by a low frequency (LF) loop in the fourth quadrant. The latter was assigned to a new rate-determining process, the oxidation of CO{sub ads} by Pt-H{sub 2}O{sub ads}. As a critical potential V{sub crit} is attained, the diameters of the two loops become almost equal and the LF limit of the impedance (R{sub o}) approaches the value for unpoisoned electrode, showing that the activity of the electrode activity has been restored. The value of V{sub crit} is 0.43 and 0.58 V for electrodes poisoned with 100 ppm and 2% CO, respectively. At very high potentials, where the oxidizing species are Pt-OH{sub ads}, the impedance pattern is reserved to the second and third quadrants. Stripping voltammetry and polarization curves recorded in situ, are used to support the conclusions obtained from impedance measurements.

  17. Genomic consequences of DNA oxidation by peroxynitrite

    E-Print Network [OSTI]

    Neeley, William Louis

    2006-01-01T23:59:59.000Z

    The radicals nitric oxide and superoxide are produced endogenously by activated macrophages and neutrophils and combine in a diffusion-limited reaction to form peroxynitrite, a powerful oxidizing and nitrating agent capable ...

  18. Solid Oxide Fuel Cell Manufacturing Overview

    E-Print Network [OSTI]

    Solid Oxide Fuel Cell Manufacturing Overview Hydrogen and Fuel Cell Technologies Manufacturing R Reserved. 3 The Solid Oxide Fuel Cell Electrochemistry #12;Copyright © 2011 Versa Power Systems. All Rights

  19. NANO - "Green" metal oxides ... | ornl.gov

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

    "Green" metal oxides ... Water and nano-sized particles isolated from trees, plants and algae are the ingredients of a new recipe for low-cost metal oxides that are widely used in...

  20. Complex oxides useful for thermoelectric energy conversion

    DOE Patents [OSTI]

    Majumdar, Arunava (Orinda, CA); Ramesh, Ramamoorthy (Moraga, CA); Yu, Choongho (College Station, TX); Scullin, Matthew L. (Berkeley, CA); Huijben, Mark (Enschede, NL)

    2012-07-17T23:59:59.000Z

    The invention provides for a thermoelectric system comprising a substrate comprising a first complex oxide, wherein the substrate is optionally embedded with a second complex oxide. The thermoelectric system can be used for thermoelectric power generation or thermoelectric cooling.

  1. Perovskite catalysts for oxidative coupling

    DOE Patents [OSTI]

    Campbell, Kenneth D. (Charleston, WV)

    1991-01-01T23:59:59.000Z

    Perovskites of the structure A.sub.2 B.sub.2 C.sub.3 O.sub.10 are useful as catalysts for the oxidative coupling of lower alkane to heavier hydrocarbons. A is alkali metal; B is lanthanide or lanthanum, cerium, neodymium, samarium, praseodymium, gadolinium or dysprosium; and C is titanium.

  2. Perovskite catalysts for oxidative coupling

    DOE Patents [OSTI]

    Campbell, K.D.

    1991-06-25T23:59:59.000Z

    Perovskites of the structure A[sub 2]B[sub 2]C[sub 3]O[sub 10] are useful as catalysts for the oxidative coupling of lower alkane to heavier hydrocarbons. A is alkali metal; B is lanthanide or lanthanum, cerium, neodymium, samarium, praseodymium, gadolinium or dysprosium; and C is titanium.

  3. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Di Croce, A. Michael (Murrysville, PA); Draper, Robert (Churchill Boro, PA)

    1993-11-02T23:59:59.000Z

    A solid oxide fuel cell generator has a plenum containing at least two rows of spaced apart, annular, axially elongated fuel cells. An electrical conductor extending between adjacent rows of fuel cells connects the fuel cells of one row in parallel with each other and in series with the fuel cells of the adjacent row.

  4. Solid oxide fuel cell generator

    DOE Patents [OSTI]

    Di Croce, A.M.; Draper, R.

    1993-11-02T23:59:59.000Z

    A solid oxide fuel cell generator has a plenum containing at least two rows of spaced apart, annular, axially elongated fuel cells. An electrical conductor extending between adjacent rows of fuel cells connects the fuel cells of one row in parallel with each other and in series with the fuel cells of the adjacent row. 5 figures.

  5. Formulations for iron oxides dissolution

    DOE Patents [OSTI]

    Horwitz, Earl P. (Argonne, IL); Chiarizia, Renato (Argonne, IL)

    1992-01-01T23:59:59.000Z

    A mixture of a di- or polyphosphonic acid and a reductant wherein each is present in a sufficient amount to provide a synergistic effect with respect to the dissolution of metal oxides and optionally containing corrosion inhibitors and pH adjusting agents.

  6. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, Barbara K. (Charleston, WV)

    1991-01-01T23:59:59.000Z

    Volatilized metal compounds retard vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

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

    E-Print Network [OSTI]

    Motta, Arthur T.

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

  8. Polymer geometry and Li+ conduction in poly(ethylene oxide)

    E-Print Network [OSTI]

    Averbuch, Amir

    Polymer geometry and Li+ conduction in poly(ethylene oxide) L. Gitelman a , M. Israeli b, , A: Lithium battery Polymer molecule Brownian motion Simulation Conductivity PEO a b s t r a c t We study of the amorphous PE structure is increased by mechanical stretching due to the unraveling of loops in the polymer

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

    SciTech Connect (OSTI)

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

    2014-08-30T23:59:59.000Z

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

  10. Nanostructured thin films for solid oxide fuel cells

    E-Print Network [OSTI]

    Yoon, Jongsik

    2009-05-15T23:59:59.000Z

    in order to facilitate rapid mass transport of reactant gas to the reaction site. Numerous doped oxides have been studied for zirconia based SOFCs and the most common materials for cathodes are perovskite-type lanthanum strontium manganite, La 1-x Sr x... Fig.1.3. Schematic diagram of SOFC operating on hydrogen fuel 1.3.1 History of SOFCs Solid oxide electrolytes were first investigated by Emil Baur and his colleague H. Preis in the late 1930s using lanthanum, yttrium, cerium, tungsten...

  11. Benzene/nitrous oxide flammability in the precipitate hydrolysis process

    SciTech Connect (OSTI)

    Jacobs, R A [Du Pont de Nemours (E.I.) and Co., Aiken, SC (USA). Savannah River Lab.

    1989-09-18T23:59:59.000Z

    The HAN (hydroxylamine nitrate) process for destruction of nitrite in precipitate hydrolysis produces nitrous oxide (N2O) gas as one of the products. N2O can form flammable mixtures with benzene which is also present due to radiolysis and hydrolysis of tetraphenylborate. Extensive flame modeling and explosion testing was undertaken to define the minimum oxidant for combustion of N2O/benzene using both nitrogen and carbon dioxide as diluents. The attached memorandum interprets and documents the results of the studies.

  12. Structure of graphene oxide dispersed with ZnO nanoparticles

    SciTech Connect (OSTI)

    Yadav, Rishikesh, E-mail: rishikesh.yadav62@gmail.com; Pandey, Devendra K., E-mail: devendrakphy@gmail.com [School of Nanotechnology, Rajiv Gandhi Proudyogiki Vishwavidalaya, Bhopal, M.P. (India); Khare, P. S., E-mail: purnimaswarup@hotmail.com [Department of Physics, Rajiv Gandhi Proudyogiki Vishwavidalaya, Bhopal M.P. (India)

    2014-10-15T23:59:59.000Z

    Graphene has been proposed as a promising two-dimensional nanomaterial with outstanding electronic, optical, thermal and mechanical properties for many applications. In present work a process of dispersion of graphene oxide with ZnO nanoparticles in ethanol solution with different pH values, have been studied. Samples have been characterized by XRD, SEM, PL, UV-visible spectroscopy and particles size measurement. The results analysis indicates overall improved emission spectrum. It has been observed that the average diameter of RGO (Reduced Graphene Oxide) decreases in presence of ZnO nanoparticles from 3.8?m to 0.41?m.

  13. Comment on "Catalytic Activity of the Rh Surface Oxide: CO Oxidation over Rh(111)

    E-Print Network [OSTI]

    Goodman, Wayne

    . Obviously, heating Rh in pure oxygen to T ) 230 °C and above will lead to the formation of surface Rh oxideComment on "Catalytic Activity of the Rh Surface Oxide: CO Oxidation over Rh(111) under Realistic suggest the importance of a surface oxide phase for high CO2 formation in CO-O2 reactions. However

  14. Correlating Catalytic Methanol Oxidation with the Structure and Oxidation State of Size-Selected Pt Nanoparticles

    E-Print Network [OSTI]

    Kik, Pieter

    Correlating Catalytic Methanol Oxidation with the Structure and Oxidation State of Size-Selected Pt nanoparticles (NPs) prepared by micelle encapsulation and supported on -Al2O3 during the oxidation of methanol the pretreatment. KEYWORDS: platinum, methanol oxidation, operando, XAFS, EXAFS, XANES, alumina, nanoparticle, size

  15. Additive and Competitive Effects of Bacteria and Mn Oxides on Arsenite Oxidation Kinetics

    E-Print Network [OSTI]

    Sparks, Donald L.

    Additive and Competitive Effects of Bacteria and Mn Oxides on Arsenite Oxidation Kinetics L oxidizing As(III) at the same time than for either component alone. The additive effect of the mixed cell even though As(III) was oxidized fastest in a mixed cell--MnO2 system. The additive effect of biotic

  16. Dense high temperature ceramic oxide superconductors

    DOE Patents [OSTI]

    Landingham, Richard L. (Livermore, CA)

    1993-01-01T23:59:59.000Z

    Dense superconducting ceramic oxide articles of manufacture and methods for producing these articles are described. Generally these articles are produced by first processing these superconducting oxides by ceramic processing techniques to optimize materials properties, followed by reestablishing the superconducting state in a desired portion of the ceramic oxide composite.

  17. Dense high temperature ceramic oxide superconductors

    DOE Patents [OSTI]

    Landingham, R.L.

    1993-10-12T23:59:59.000Z

    Dense superconducting ceramic oxide articles of manufacture and methods for producing these articles are described. Generally these articles are produced by first processing these superconducting oxides by ceramic processing techniques to optimize materials properties, followed by reestablishing the superconducting state in a desired portion of the ceramic oxide composite.

  18. SOS Rule Formats for Idempotent Terms and Idempotent Unary Operators$

    E-Print Network [OSTI]

    Aceto, Luca

    of syntax-driven inference rules. This behavioural description of the semantics of a language essentially defining a language. For example, in the field of process algebras such as ACP [12], CCS [31] and CSP [27

  19. SOS Rule Formats for Idempotent Terms and Idempotent Unary Operators

    E-Print Network [OSTI]

    Aceto, Luca

    . This behavioural description of the semantics of a language essentially tells one how the expressions, in the field of process algebras such as ACP [10], CCS [26] and CSP [22], operators such as nonde- terministic

  20. SOS 4303C / 5305C -Abid Al Agely

    E-Print Network [OSTI]

    Ma, Lena

    to academic honesty and understand that my failure to comply with this commitment may result in disciplinary of the University are required and expected to obey the laws and legal agreements governing software use. Failure to do so can lead to monetary dam

  1. A convex polynomial that is not sos-convex

    E-Print Network [OSTI]

    2009-03-08T23:59:59.000Z

    Mar 6, 2009 ... 1 Introduction. In many problems in applied and computational mathematics, we would like to decide whether a ... gradient descent methods can find a global minimum. ... ment of Electrical Engineering and Computer Science, ...

  2. S.O.S. APPROXIMATION OF POLYNOMIALS, NONNEGATIVE ON A ...

    E-Print Network [OSTI]

    2005-08-20T23:59:59.000Z

    1. We first define an infinite dimensional linear programming problem on an appropriate space of ... [Mr(y)(1,j) = y? and Mr(y)(i, 1) = y?] ? Mr(y)(i, j) = y?+?. (

  3. Microsoft Word - SoS abstract-bio_template.doc

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHighandSWPA / SPRA / USACE625 FINAL ENVIRONMENTAL328InMUIRNETL Modern

  4. PIC DOC 01/08/11 Â… SOS

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What's Possible for RenewableSpeedingBiomass and4/26/11: eliza18OpenGovSystemeTrack, Bechtel

  5. High temperature oxidation behavior of Fe-Cr-Al foils

    SciTech Connect (OSTI)

    Chang, C.S.; Jha, B. [Texas Instruments, Inc., Attleboro, MA (United States)

    1998-12-31T23:59:59.000Z

    Metallic catalytic converters for automotive emission control is becoming an important application for heat resistant alloys as more design opportunities are realized. The service conditions and design of metallic catalytic converters require the alloy to be highly oxidation resistant at gauges typically at 50 microns or less. For conventional heat resistant alloy design the goal is to form a well adherent scale on the alloy surface to protect the alloy matrix from being oxidized. However, the thin gauge results in a limited supply of alloying elements that can form the protective scale on the surface. The alloy chemistry has to be optimized to have the minimum oxidation while maintaining processing characteristics. Furthermore, the ratio of scale thickness to foil gauge is significant and the stress state between them introduces measurable permanent distortion of the foil. In this study, the effect of alloying elements on the oxidation behavior of commonly used Fe-Cr-Al alloys was quantified by the oxidation weight gain and length change measurements.

  6. Oxidation rate of K-Basin spent nuclear fuel in moist air

    SciTech Connect (OSTI)

    Abrefah, J.; Buchanan, H.C.; Marschman, S.C.

    1998-06-01T23:59:59.000Z

    Experiments have been conducted by Pacific Northwest National Laboratory to determine the oxidation rate of damaged/corroded N-Reactor fuel material in moist air. Five SNF pieces (with regular geometrical shapes) sectioned from a damaged element stored in the K-West Basin were oxidized in flowing air containing moisture. The SNF oxidation behavior in moist air at a temperature of 198 C can best be fitted by parabolic oxidation kinetics. A linear rate equation gave the best fit to the oxidation data at 250 C and above. The results within the temperature range studied, therefore, show a transition from parabolic oxidation kinetics to linear oxidation kinetics. The transition temperature is somewhere between 198 C and 250 C. The tests at approximately 300 C gave results that were very different from the other tests at temperatures of 198 C, 250 C, and 349 C. The SNF sample weight change at this temperature showed erratic behavior. Visual examination indicated the sample fragmented into small pieces and powder as a result of rapid oxidation and hydration. Additional tests at temperatures close to 300 C (i.e., 300 {+-} 10 C) are recommended in order to fully understand the oxidation behavior of the damaged/corroded SNF samples in moist air at about 300 C.

  7. Thermally Oxidized Silicon

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over OurThe Iron Spin Transition in theTheoretical StudyInnovation Portal 9093 Site4

  8. Molecular accessibility in oxidized and dried coals. Quarterly report

    SciTech Connect (OSTI)

    Kispert, L.D.

    1995-06-01T23:59:59.000Z

    The objective of this research project is to determine the molecular and structural changes that occur in swelled coal as a result of oxidation and moisture loss both in the presence and absence of light using the newly developed EPR spin probe method. The proposed study will make it possible to deduce the molecular accessibility distribution in swelled, oxidized APCS coal for each rank as a function of (1) size (up to 6 nm) and shape, (2) the relative acidic/basic reactive site distributions, and (3) the role of hydrogen bonding as a function of swelling solvents. The advantage of the EPR method is that it permits molecules of selected shape, size and chemical reactivity to be used as probes of molecular accessible regions of swelled coal. From such data an optimum catalyst can be designed to convert oxidized coal into a more convenient form and methods can be devised to lessen the detrimental weathering processes.

  9. Gas generation over plutonium oxides in the 94-1 shelf-life surveillance program.

    SciTech Connect (OSTI)

    Berg, J. M. (John M.); Harradine, D. M. (David M.); Hill, D. D. (Dallas D.); McFarlan, James T.; Padilla, D. D. (Dennis D.); Prenger, F. Coyne; Veirs, D. K. (Douglas Kirk); Worl, L. A. (Laura A.)

    2002-01-01T23:59:59.000Z

    The Department of Energy (DOE) is embarking upon a program to store large quantities of plutonium-bearing materials for up to fifty years. The Los Alamos National Laboratory Shelf Life Project was established to bound the behavior of plutonium-bearing material meeting the DOE 3013 Standard. The shelf life study monitors temperature, pressure and gas composition over oxide materials in a limited number of large-scale 3013 inner containers and in many small-scale containers. For the large-scale study, baseline plutonium oxides, oxides exposed to high-humidity atmospheres, and oxides containing chloride salt impurities are planned. The first large-scale container represents a baseline and contains dry plutonium oxide prepared according to the 3013 Standard. This container has been observed for pressure, temperature and gas compositional changes for less than a year. Results indicate that no detectable changes in pressure and gas composition are observed.

  10. Reaction network and kinetics for the catalytic oxidation of toluene over V sub 2 O sub 5

    SciTech Connect (OSTI)

    Zhu, J.; Andersson, L.T. (Univ. of Lund (Sweden))

    1990-11-01T23:59:59.000Z

    The oxidation of three methyl-diphenylmethane isomers and of bibenzyl, benzyl alcohol, and benzaldehyde, which are intermediates in the catalytic oxidation of toluene over V{sub 2}O{sub 5}, has been studied to elucidate the reaction network and relative importance of various reactions. Selectivity dependences reveal that the network is composed mainly of three parallel reaction routes: (1) side-chain oxidation with consecutive reactions, (2) oxidative coupling with both parallel and consecutive reactions, and (3) carbon oxide formation. Coupling products are not negligible, with an initial selectivity of 29% (400{degree}C). Anthraquinone is produced mainly from o-methyl-diphenylmethane conditions and catalyst used. Selectivity dependences suggested product lumping and a simplified network. Kinetic analysis of this reaction network indicates that higher temperatures favor route 2 over route 1. The same initial intermediates for route 1 of side-chain oxidation and for route 2 of oxidative coupling are suggested.

  11. LASH oxidation, waste management

    SciTech Connect (OSTI)

    Shires, P.J.; Katta, S.; Henningsen, G.

    1993-09-01T23:59:59.000Z

    Temperature for highest sulfation of both as-received KRW LASH and FW LASH was found to be 1700{degrees}F in the temperature range of 1500 to 1700{degrees}F studied. No significant amount of SO{sub 2} was measured by gas analysis in the tests reported here. Confirmation of SO{sub 2} release by sulfur balance including the solids is in progress. The sulfide conversion achieved for HSCF KRW LASH including the conversion obtained in the muffle furnace was about 80%. Grinding it did not enhance the conversion. By grinding and then doping it with an alkali, the conversion was increased to about 95%. The impregnation of CFHS FW LASH with the alkali enhanced the sulfide conversion to a high level (94%) just as observed for HSCF KRW LASH. The absorption of H{sub 2}S by the KRW LASH is as good as that observed for the two pure limestones used in this study. The absorption of SO{sub 2} by the KRW LASH is poor compared to that of the pure limestones. Additional experiments are planned to attempt to identify the mechanism.

  12. In situ vibrational spectroscopic investigation of C{sub 4} hydrocarbon selective oxidation over vanadium-phosphorus-oxide catalysts

    SciTech Connect (OSTI)

    Xue, Z.Y.

    1999-05-10T23:59:59.000Z

    n-Butane selective oxidation over the VPO catalyst to maleic anhydride is the first and only commercialized process of light alkane selective oxidation. The mechanism of this reaction is still not well known despite over twenty years of extensive studies, which can partially be attributed to the extreme difficulties to characterize catalytic reactions real-time under typical reaction conditions. In situ spectroscopic characterization techniques such as Infrared spectroscopy and laser Raman spectroscopy were used in the current mechanistic investigations of n-butane oxidation over VPO catalysts. To identify the reaction intermediates, oxidation of n-butane, 1,3-butadiene and related oxygenates on the VPO catalyst were monitored using FTIR spectroscopy under transient conditions. n-Butane was found to adsorb on the VPO catalyst to form olefinic species, which were further oxidized to unsaturated, noncyclic carbonyl species. The open chain dicarbonyl species then experienced cycloaddition to form maleic anhydride. VPO catalyst phase transformations were investigated using in situ laser Raman spectroscopy. This report contains Chapter 1: General introduction; Chapter 2: Literature review; and Chapter 5: Conclusion and recommendations.

  13. THE ROLE OF ACTIVE ELEMENTS AND OXIDE DISPERSIONS IN THE DEVELOPMENT OF OXIDATION-RESISTANT ALLOYS AND COATINGS

    E-Print Network [OSTI]

    Allam, I.M.

    2010-01-01T23:59:59.000Z

    of the oxide and alloy and these lead to spallation of theleads to a uniform distribution of fine internal oxide

  14. Fundamentals of Mercury Oxidation in Flue Gas

    SciTech Connect (OSTI)

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

    2005-08-01T23:59:59.000Z

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

  15. Nanowire-based All Oxide Solar Cells

    SciTech Connect (OSTI)

    Yang*, Benjamin D. Yuhas and Peidong; Yang, Peidong

    2008-12-07T23:59:59.000Z

    We present an all-oxide solar cell fabricated from vertically oriented zinc oxide nanowires and cuprous oxide nanoparticles. Our solar cell consists of vertically oriented n-type zinc oxide nanowires, surrounded by a film constructed from p-type cuprous oxide nanoparticles. Our solution-based synthesis of inexpensive and environmentally benign oxide materials in a solar cell would allow for the facile production of large-scale photovoltaic devices. We found that the solar cell performance is enhanced with the addition of an intermediate oxide insulating layer between the nanowires and the nanoparticles. This observation of the important dependence of the shunt resistance on the photovoltaic performance is widely applicable to any nanowire solar cell constructed with the nanowire array in direct contact with one electrode.

  16. Improving Corrosion Behavior in SCWR, LFR and VHTR Reactor Materials by Formation of a Stable Oxide

    SciTech Connect (OSTI)

    Arthur T. Motta; Robert Comstock; Ning Li; Todd Allen; Gary Was

    2009-12-21T23:59:59.000Z

    The objective of this study is to understand the influence of the alloy microstructure and composition on the formation of a stable, protective oxide in the environments relevant to the SCWR and LFR reactor concepts, as well as to the VHTR. It is proposed to use state-of-the art techniques to study the fine structure of these oxides to identify the structural differences between stable and unstable oxide layers. The techniques to be used are microbeam synchrotron radiation diffraction and fluorescence, and cross-sectional transmission electron microcopy on samples prepared using focused ion beam.

  17. Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes

    E-Print Network [OSTI]

    Sheng, Wenchao

    The kinetics of the hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) on polycrystalline platinum [Pt(pc)] and high surface area carbon-supported platinum nanoparticles (Pt/C) were studied in 0.1 M ...

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

    E-Print Network [OSTI]

    Lu, Jiang

    2007-04-25T23:59:59.000Z

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

  19. Amino acids, polyamines, and nitric oxide synthesis in the ovine conceptus 

    E-Print Network [OSTI]

    Kwon, Hyuk Jung

    2005-08-29T23:59:59.000Z

    The objective of this study was to determine concentrations of amino acids and polyamines as well as nitric oxide (NO) and polyamine synthesis in the ovine conceptus (embryo/fetal and associated placental membrane). Ewes ...

  20. Dysregulation of nuclear factor kappa B activity and osteopontin expression in oxidant-induced atherogenesis 

    E-Print Network [OSTI]

    Williams, Edward Spencer

    2004-09-30T23:59:59.000Z

    NF-?B activity is critical in the regulation of atherosclerotic vascular smooth muscle cell (vSMC) phenotypes induced following oxidative injury by allylamine. The present studies were designed to detail dysregulation of ...

  1. Conjugated linoleic acid reduces lipid oxidation in irradiated, cooked ground beef patties

    E-Print Network [OSTI]

    Chae, Sung Hee

    2007-09-17T23:59:59.000Z

    This study was conducted to examine the antioxidative effect of conjugated linoleic acid (CLA) in irradiated, cooked ground beef patties. The hypothesis was that CLA would be retained during irradiation and would reduce lipid oxidation...

  2. Mass Enhancement of Two-Dimensional Electrons in Thin Oxide Si-MOSFETs

    SciTech Connect (OSTI)

    Draper, B.L.; Pan, W.; Tsui, D.C.

    1998-11-02T23:59:59.000Z

    We report in this paper a study of the effective mass in thin oxide Si-MOSFETs, using the temperature dependence of the Shubnikov-de Haas (SdH) effect and following the methodology developed by Smith and Stiles.

  3. Modeling stress accelerated grain boundary oxidation (SAGBO) in INCOLOY alloy 908

    E-Print Network [OSTI]

    Soontrapa, Chaiyod

    2005-01-01T23:59:59.000Z

    This study explores the possibility of extending the Ph.D. work of Yan Xu on copper-tin alloys (University of Pennsylvania, 1999) to model stress accelerated grain boundary oxidation (SAGBO) in INCOLOY alloy 908. The steady ...

  4. Nitric OxideTriggered Remodeling of Chloroplast Bioenergetics and Thylakoid Proteins upon Nitrogen

    E-Print Network [OSTI]

    Nitric Oxide­Triggered Remodeling of Chloroplast Bioenergetics and Thylakoid Proteins upon Nitrogen droplets, but the accompanying changes in bioenergetics have been little studied so far. Here, we report

  5. Amino acids, polyamines, and nitric oxide synthesis in the ovine conceptus

    E-Print Network [OSTI]

    Kwon, Hyuk Jung

    2005-08-29T23:59:59.000Z

    The objective of this study was to determine concentrations of amino acids and polyamines as well as nitric oxide (NO) and polyamine synthesis in the ovine conceptus (embryo/fetal and associated placental membrane). Ewes were hysterectomized...

  6. Perchlorate Degradation Using Partially Oxidized Titanium Ions and Ion Exchange Membrane Hybrid System

    E-Print Network [OSTI]

    Park, Sung Hyuk

    2011-08-08T23:59:59.000Z

    Perchlorate has entered human and environmental food chains and has received a great deal of attention because of its toxicity to humans. In this study, chemical degradation of perchlorate was investigated using partially oxidized titanium ions (Ti2...

  7. Feasibility of breeding in hard spectrum boiling water reactors with oxide and nitride fuels

    E-Print Network [OSTI]

    Feng, Bo, Ph. D. Massachusetts Institute of Technology

    2011-01-01T23:59:59.000Z

    This study assesses the neutronic, thermal-hydraulic, and fuel performance aspects of using nitride fuel in place of oxides in Pu-based high conversion light water reactor designs. Using the higher density nitride fuel ...

  8. Synthesis and Characterization of MnO2-Based Mixed Oxides as Supercapacitors

    E-Print Network [OSTI]

    Popov, Branko N.

    difference, the stability over large potential range is considered to be a crucial factor for super- capacitors. In this study an attempt was made to synthesize at ambient tem- perature new mixed oxides based

  9. Recommendations for Standardized Description of and Nomenclature Concerning Oxidatively Damaged Nucleobases in DNA

    E-Print Network [OSTI]

    Cooke, Marcus S.

    Despite being a relatively young field, the study of oxidative stress has attracted huge interest. With the advent of simple and relatively inexpensive assays (sometimes from commercial suppliers), a growing number of ...

  10. Noble Metal Catalysts for Mercury Oxidation in Utility Flue Gas: Gold, Palladium and Platinum Formulations

    SciTech Connect (OSTI)

    Presto, A.A.; Granite, E.J

    2008-07-01T23:59:59.000Z

    The use of noble metals as catalysts for mercury oxidation in flue gas remains an area of active study. To date, field studies have focused on gold and palladium catalysts installed at pilot scale. In this article, we introduce bench-scale experimental results for gold, palladium and platinum catalysts tested in realistic simulated flue gas. Our initial results reveal some intriguing characteristics of catalytic mercury oxidation and provide insight for future research into this potentially important process.

  11. The selective catalytic reduction of nitric oxide with ammonia in the presence of oxygen

    E-Print Network [OSTI]

    Gruber, Karen Ann

    1989-01-01T23:59:59.000Z

    materials. Aluminum pillared titanium phosphate and hydrous sodium titanium oxide were the support structures of interest. The efFect of phosphate, aluminum and sodium on catalytic activity was studied. The reaction conditions were a feed composition... titanium oxide support was found to be the most effective catalyst of this study which led to the conclusion that phosphate, aluminum and sodium decrease the activity of vanadia catalysts for the SCR of NO with NHs in the presence of oxygen. ACKi...

  12. Giant switchable rashba effect in oxide heterostructures

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

    Zhong, Zhicheng; Si, Liang; Zhang, Qinfang; Yin, Wei-Guo; Yunoki, Seiji; Held, Karsten

    2015-03-01T23:59:59.000Z

    One of the most fundamental phenomena and a reminder of the electron’s relativistic nature is the Rashba spin splitting for broken inversion symmetry. Usually this splitting is a tiny relativistic correction. Interfacing ferroelectric BaTiO? and a 5d (or 4d) transition metal oxide with a large spin-orbit coupling, Ba(Os,Ir,Ru)O?, we show that giant Rashba spin splittings are indeed possible and even controllable by an external electric field. Based on density functional theory and a microscopic tight binding understanding, we conclude that the electric field is amplified and stored as a ferroelectric Ti-O distortion which, through the network of oxygen octahedra, inducesmore »a large (Os,Ir,Ru)-O distortion. The BaTiO?/Ba(Os,Ru,Ir)O? heterostructure is hence the ideal test station for switching and studying the Rashba effect and allows applications at room temperature.« less

  13. Model isomorphism in oxidized-bitumen production

    SciTech Connect (OSTI)

    Grudnikov, I.B.

    1988-11-10T23:59:59.000Z

    Phenomena differing in nature may have mathematical descriptions identical in form; examples are the similarities between the expressions for Fick's first law and Fourier's law, which describe mass and energy transfer correspondingly. One can thus use model isomorphism in simulation, which can accelerate the process, since it is merely necessary to check that the model fit is adequate. The author has compared two forms of simulation: from model isomorphism and from studies on kinetics and dynamics in application to oxidized-bitumen production, as the material is important, and increased output has a bearing on improving oil refining. This model is adequate and can be derived from the isomorphism principle as well as from the kinetics and dynamics. The principle does not replace research on the process but enables one to derive models more rapidly for processing petroleum fractions characterized by complicated compositions and reactions.

  14. Giant switchable rashba effect in oxide heterostructures

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

    Zhong, Zhicheng [Vienna Univ. of Technology, Vienna (Austria); Si, Liang [Vienna Univ. of Technology, Vienna (Austria); Zhang, Qinfang [Vienna Univ. of Technology, Vienna (Austria); Yancheng Inst. of Technology (China); Yin, Wei-Guo [Brookhaven National Lab. (BNL), Upton, NY (United States); Yunoki, Seiji [Computational Condensed Matter Physics Lab., Wako, Saitama (Japan); Advanced Inst. for Computational Science, Kobe, Hyogo (Japan); Center for Emergent Matter Science, Wako, Saitama (Japan); Held, Karsten [Vienna Univ. of Technology, Vienna (Austria)

    2015-03-01T23:59:59.000Z

    One of the most fundamental phenomena and a reminder of the electron’s relativistic nature is the Rashba spin splitting for broken inversion symmetry. Usually this splitting is a tiny relativistic correction. Interfacing ferroelectric BaTiO? and a 5d (or 4d) transition metal oxide with a large spin-orbit coupling, Ba(Os,Ir,Ru)O?, we show that giant Rashba spin splittings are indeed possible and even controllable by an external electric field. Based on density functional theory and a microscopic tight binding understanding, we conclude that the electric field is amplified and stored as a ferroelectric Ti-O distortion which, through the network of oxygen octahedra, induces a large (Os,Ir,Ru)-O distortion. The BaTiO?/Ba(Os,Ru,Ir)O? heterostructure is hence the ideal test station for switching and studying the Rashba effect and allows applications at room temperature.

  15. Electrochromic devices embodying W oxide/Ni oxide tandem films

    SciTech Connect (OSTI)

    Azens, A.; Vaivars, G.; Veszelei, M.; Kullman, L.; Granqvist, C. G.

    2001-06-15T23:59:59.000Z

    Six-layer electrochromic devices of indium tin oxide (ITO)/NiO{sub x}H{sub y}/WO{sub 3}/ZrP-electrolyte/WO{sub 3}/ITO were made by reactive dc magnetron sputtering and lamination. The WO{sub 3} layer between the acidic ZrP-based electrolyte and the NiO{sub x}H{sub y} layer served as optically passive protective layer. The optical inactivity of the protective layer could be understood from arguments based on electron density of states. {copyright} 2001 American Institute of Physics.

  16. Preparation and Characterization of Uranium Oxides in Support of the K Basin Sludge Treatment Project

    SciTech Connect (OSTI)

    Sinkov, Sergey I.; Delegard, Calvin H.; Schmidt, Andrew J.

    2008-07-08T23:59:59.000Z

    Uraninite (UO2) and metaschoepite (UO3·2H2O) are the uranium phases most frequently observed in K Basin sludge. Uraninite arises from the oxidation of uranium metal by anoxic water and metaschoepite arises from oxidation of uraninite by atmospheric or radiolytic oxygen. Studies of the oxidation of uraninite by oxygen to form metaschoepite were performed at 21°C and 50°C. A uranium oxide oxidation state characterization method based on spectrophotometry of the solution formed by dissolving aqueous slurries in phosphoric acid was developed to follow the extent of reaction. This method may be applied to determine uranium oxide oxidation state distribution in K Basin sludge. The uraninite produced by anoxic corrosion of uranium metal has exceedingly fine particle size (6 nm diameter), forms agglomerates, and has the formula UO2.004±0.007; i.e., is practically stoichiometric UO2. The metaschoepite particles are flatter and wider when prepared at 21°C than the particles prepared at 50°C. These particles are much smaller than the metaschoepite observed in prolonged exposure of actual K Basin sludge to warm moist oxidizing conditions. The uraninite produced by anoxic uranium metal corrosion and the metaschoepite produced by reaction of uraninite aqueous slurries with oxygen may be used in engineering and process development testing. A rapid alternative method to determine uranium metal concentrations in sludge also was identified.

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

    SciTech Connect (OSTI)

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

    2013-06-01T23:59:59.000Z

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

  18. Palladium-Catalyzed Direct Functionalization of Aromatic C-H Bonds: Development of Methods for Direct Amination and Mechanistic Studies of Direct Arylation of Benzene and Pyridine N-Oxide

    E-Print Network [OSTI]

    Tan, Yichen

    2013-01-01T23:59:59.000Z

    barrier of the reactions of benzene with phosphine-ligatedStudy on Direct Arylation of Benzene ………………..95-142proposed, and reaction of benzene and phthalimide in the

  19. Novel oxide-oxide fiber reinforced hot gas filter development

    SciTech Connect (OSTI)

    Wagner, R.A.

    1995-12-01T23:59:59.000Z

    The objective of this program is to fabricate and test oxide fiber reinforced composite hot gas filter elements for advanced power generation systems. The level of mechanical durability exhibited by the currently available filters in field tests indicates that more rugged filters are required to meet the demands of large power generation systems. Furthermore, long term corrosion resistance of currently available filters has yet to be demonstrated in PFBC systems. The essential requirements of a composite material designed to meet the program objective for a toughened hot gas filter include the following: Stable continuous fiber; rigid porous matrix; engineered fiber-matrix interface; and cost effectiveness. Based on properties, availability, and cost, Mitsui`s ALMAX alumina fiber and 3M`s NEXTEL 610 alumina fiber were selected as the oxide reinforcement fibers. In order to meet the economic goals of the program it is essential that the cost and amount of continuous fiber be minimized. A four axis filament winder will be used to fabricate filter Preforms in a variety of fiber architectures. Carbon was used as the initial fiber coating because it was known to be resistant to the Processing chemicals. The coating was produced by pyrolysis of the resin based sizings on the continuous fibers. The matrix of the composite filter is comprised of chopped ceramic fiber. Saffil fiber was used for all compositions in this program.

  20. Solid-oxide fuel cell electrolyte

    DOE Patents [OSTI]

    Bloom, Ira D. (Bolingbrook, IL); Hash, Mark C. (Joliet, IL); Krumpelt, Michael (Naperville, IL)

    1993-01-01T23:59:59.000Z

    A solid-oxide electrolyte operable at between 600.degree. C. and 800.degree. C. and a method of producing the solid-oxide electrolyte are provided. The solid-oxide electrolyte comprises a combination of a compound having weak metal-oxygen interactions with a compound having stronger metal-oxygen interactions whereby the resulting combination has both strong and weak metal-oxygen interaction properties.

  1. Oxidation of hydrogen halides to elemental halogens

    DOE Patents [OSTI]

    Rohrmann, Charles A. (Kennewick, WA); Fullam, Harold T. (Richland, WA)

    1985-01-01T23:59:59.000Z

    A process for oxidizing hydrogen halides having substantially no sulfur impurities by means of a catalytically active molten salt is disclosed. A mixture of the subject hydrogen halide and an oxygen bearing gas is contacted with a molten salt containing an oxidizing catalyst and alkali metal normal sulfates and pyrosulfates to produce an effluent gas stream rich in the elemental halogen and substantially free of sulfur oxide gases.

  2. Ultraviolet GaN photodetectors on Si via oxide buffer heterostructures with integrated short period oxide-based distributed Bragg reflectors and leakage suppressing metal-oxide-semiconductor contacts

    SciTech Connect (OSTI)

    Szyszka, A., E-mail: szyszka@ihp-microelectronics.com, E-mail: adam.szyszka@pwr.wroc.pl [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Faculty of Microsystem Electronics and Photonics, Wroclaw University of Technology, Janiszewskiego 11/17, 50-372 Wroclaw (Poland); Lupina, L.; Lupina, G.; Schubert, M. A.; Zaumseil, P. [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Haeberlen, M.; Storck, P.; Thapa, S. B. [Siltronic, Hanns-Seidel-Platz 4, 81737 München (Germany); Schroeder, T. [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); BTU Cottbus-Senftenberg, Konrad-Zuse-Strasse 1, 03046 Cottbus (Germany)

    2014-08-28T23:59:59.000Z

    Based on a novel double step oxide buffer heterostructure approach for GaN integration on Si, we present an optimized Metal-Semiconductor-Metal (MSM)-based Ultraviolet (UV) GaN photodetector system with integrated short-period (oxide/Si) Distributed Bragg Reflector (DBR) and leakage suppressing Metal-Oxide-Semiconductor (MOS) electrode contacts. In terms of structural properties, it is demonstrated by in-situ reflection high energy electron diffraction and transmission electron microscopy-energy dispersive x-ray studies that the DBR heterostructure layers grow with high thickness homogeneity and sharp interface structures sufficient for UV applications; only minor Si diffusion into the Y{sub 2}O{sub 3} films is detected under the applied thermal growth budget. As revealed by comparative high resolution x-ray diffraction studies on GaN/oxide buffer/Si systems with and without DBR systems, the final GaN layer structure quality is not significantly influenced by the growth of the integrated DBR heterostructure. In terms of optoelectronic properties, it is demonstrated that—with respect to the basic GaN/oxide/Si system without DBR—the insertion of (a) the DBR heterostructures and (b) dark current suppressing MOS contacts enhances the photoresponsivity below the GaN band-gap related UV cut-off energy by almost up to two orders of magnitude. Given the in-situ oxide passivation capability of grown GaN surfaces and the one order of magnitude lower number of superlattice layers in case of higher refractive index contrast (oxide/Si) systems with respect to classical III-N DBR superlattices, virtual GaN substrates on Si via functional oxide buffer systems are thus a promising robust approach for future GaN-based UV detector technologies.

  3. DISSOLUTION OF NEPTUNIUM OXIDE RESIDUES

    SciTech Connect (OSTI)

    Kyser, E

    2009-01-12T23:59:59.000Z

    This report describes the development of a dissolution flowsheet for neptunium (Np) oxide (NpO{sub 2}) residues (i.e., various NpO{sub 2} sources, HB-Line glovebox sweepings, and Savannah River National Laboratory (SRNL) thermogravimetric analysis samples). Samples of each type of materials proposed for processing were dissolved in a closed laboratory apparatus and the rate and total quantity of off-gas were measured. Samples of the off-gas were also analyzed. The quantity and type of solids remaining (when visible) were determined after post-dissolution filtration of the solution. Recommended conditions for dissolution of the NpO{sub 2} residues are: Solution Matrix and Loading: {approx}50 g Np/L (750 g Np in 15 L of dissolver solution), using 8 M nitric acid (HNO{sub 3}), 0.025 M potassium fluoride (KF) at greater than 100 C for at least 3 hours. Off-gas: Analysis of the off-gas indicated nitric oxide (NO), nitrogen dioxide (NO{sub 2}) and nitrous oxide (N{sub 2}O) as the only identified components. No hydrogen (H{sub 2}) was detected. The molar ratio of off-gas produced per mole of Np dissolved ranged from 0.25 to 0.4 moles of gas per mole of Np dissolved. A peak off-gas rate of {approx}0.1 scfm/kg bulk oxide was observed. Residual Solids: Pure NpO{sub 2} dissolved with little or no residue with the proposed flowsheet but the NpCo and both sweepings samples left visible solid residue after dissolution. For the NpCo and Part II Sweepings samples the residue amounted to {approx}1% of the initial material, but for the Part I Sweepings sample, the residue amounted to {approx}8 % of the initial material. These residues contained primarily aluminum (Al) and silicon (Si) compounds that did not completely dissolve under the flowsheet conditions. The residues from both sweepings samples contained minor amounts of plutonium (Pu) particles. Overall, the undissolved Np and Pu particles in the residues were a very small fraction of the total solids.

  4. Poly(ethylene oxide) functionalization

    DOE Patents [OSTI]

    Pratt, Russell Clayton

    2014-04-08T23:59:59.000Z

    A simple procedure is provided by which the hydroxyl termini of poly(ethylene oxide) can be appended with functional groups to a useful extent by reaction and precipitation. The polymer is dissolved in warmed toluene, treated with an excess of organic base and somewhat less of an excess of a reactive acylating reagent, reacted for several hours, then precipitated in isopropanol so that the product can be isolated as a solid, and salt byproducts are washed away. This procedure enables functionalization of the polymer while not requiring laborious purification steps such as solvent-solvent extraction or dialysis to remove undesirable side products.

  5. Kinetics and Mechanism of Oxidative Dehydrogenation of Propane on Vanadium, Molybdenum, and Tungsten Oxides

    E-Print Network [OSTI]

    Iglesia, Enrique

    Kinetics and Mechanism of Oxidative Dehydrogenation of Propane on Vanadium, Molybdenum catalysts confirmed that oxidative dehydrogenation of propane occurs via similar pathways, which involve for propane dehydrogenation and for propene combustion increase in the sequence VOx/ZrO2

  6. Oxidative Remobilization of Technetium Sequestered by Sulfide...

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

    Remobilization of Technetium Sequestered by Sulfide-Transformed Nano Zerovalent Iron. Oxidative Remobilization of Technetium Sequestered by Sulfide-Transformed Nano Zerovalent...

  7. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, B.K.

    1991-12-17T23:59:59.000Z

    Volatilized metal compounds are described which are capable of retarding vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

  8. Double perovskite catalysts for oxidative coupling

    DOE Patents [OSTI]

    Campbell, K.D.

    1991-01-01T23:59:59.000Z

    Alkali metal doped double perovskites containing manganese and at least one of cobalt, iron and nickel are useful in the oxidative coupling of alkane to higher hydrocarbons.

  9. Unfamiliar oxidation states and their stabilization

    E-Print Network [OSTI]

    Kleinberg, Jacob

    1950-01-01T23:59:59.000Z

    appropriate conditions, either of free metals or of ions in lower states, has served for the preparation of higher oxidation states. Reference has already been made to the formation of the ferrate ion, FeOf2, and of Ago, by the electrolytic oxidation... compartments (Fig. 2), indicates (according to calculations based on Faraday's law) that the metal leaving the electrode has an average oxidation number in the neighborhood of 2.5.* The alu- * Oxidation numbers as low as 1.9 have recently been obtained...

  10. Lanthanide doped barium phosphorous oxide scintillators

    DOE Patents [OSTI]

    Borade, Ramesh B; Bourret-Courchesne, Edith; Denzo, Stephen E

    2013-02-26T23:59:59.000Z

    The present invention provides for a composition comprising an inorganic scintillator comprising a lanthanide-doped barium phosphorous oxide useful for detecting nuclear material.

  11. Sandia National Laboratories: indium tin oxide

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

    indium tin oxide Sandian Selected for Outstanding Engineer Award On December 10, 2014, in Energy, Materials Science, News, News & Events, Photovoltaic, Renewable Energy, Research &...

  12. The role of nitric oxide in testosterone-induced vasodilation in pig coronary arteries and rat thoracic aorta

    E-Print Network [OSTI]

    Piefer, Jason William

    2013-02-22T23:59:59.000Z

    Several studies have provided evidence that the administration of testosterone to vascular tissue causes vasodilation (Costarella, Yue). This study examines the role of nitric oxide (NO) as a potential mechanism of testosterone-induced vasodilation...

  13. Implications of mercury interactions with band-gap semiconductor oxides

    SciTech Connect (OSTI)

    Granite, E.J.; King, W.P.; Stanko, D.C.; Pennline, H.W.

    2008-09-01T23:59:59.000Z

    Titanium dioxide is a well-known photooxidation catalyst. It will oxidize mercury in the presence of ultraviolet light from the sun and oxygen and/or moisture to form mercuric oxide. Several companies manufacture self-cleaning windows. These windows have a transparent coating of titanium dioxide. The titanium dioxide is capable of destroying organic contaminants in air in the presence of ultraviolet light from the sun, thereby keeping the windows clean. The commercially available self-cleaning windows were used to sequester mercury from oxygen–nitrogen mixtures. Samples of the self-cleaning glass were placed into specially designed photo-reactors in order to study the removal of elemental mercury from oxygen–nitrogen mixtures resembling air. The possibility of removing mercury from ambient air with a self-cleaning glass apparatus is examined. The intensity of 365-nm ultraviolet light was similar to the natural intensity from sunlight in the Pittsburgh region. Passive removal of mercury from the air may represent an option in lieu of, or in addition to, point source clean-up at combustion facilities. There are several common band-gap semiconductor oxide photocatalysts. Sunlight (both the ultraviolet and visible light components) and band-gap semiconductor particles may have a small impact on the global cycle of mercury in the environment. The potential environmental consequences of mercury interactions with band-gap semiconductor oxides are discussed. Heterogeneous photooxidation might impact the global transport of elemental mercury emanating from flue gases.

  14. The oxidative dimerization of methane over promoted and unpromoted magnesium oxide monoliths

    E-Print Network [OSTI]

    Aigler, Jane Marie

    1989-01-01T23:59:59.000Z

    for the degree of MASTER OF SCIENCE May 1989 Major Subject: Chemistry THE OXIDATIVE DIMERIZATION OF METHANE OVER PROMOTED AND UNPROMOTED MAGNESIUM OxiDE MONOLITHS A Thesis by JANE MARIE AIGLER Approved as to style and content by: uns or (Chair of Commi... ee) os e (Member) nt ony (Member) a (Head of Department) May 1989 ABSTRACT The Oxidative Dimerization of Methane over Promoted and Unpromoted Magnesium Oxide Monoliths. (May 1989) Jane Marie Aigier, B. S. , Pennsylvania State University...

  15. Modelling of stable isotope fractionation by methane oxidation and diffusion in landfill cover soils

    SciTech Connect (OSTI)

    Mahieu, Koenraad [Laboratory of Applied Physical Chemistry (ISOFYS), Ghent University, Coupure links 653, B-9000 Ghent (Belgium); Department of Applied Mathematics, Biometrics and Process Control (BIOMATH), Ghent University, Coupure links 653, B-9000 Ghent (Belgium)], E-mail: Koenraad.mahieu@lid.kviv.be; De Visscher, Alex [Department of Chemical and Petroleum Engineering, Schulich School of Engineering, University of Calgary, 2500 University Drive N.W., Calgary, Alberta, T2N 1N4 (Canada); Vanrolleghem, Peter A. [Department of Applied Mathematics, Biometrics and Process Control (BIOMATH), Ghent University, Coupure links 653, B-9000 Ghent (Belgium); Department of Civil Engineering (modelEAU), Universite Laval, Pavillon Pouliot, Quebec, G1K 7P4 (Canada); Van Cleemput, Oswald [Laboratory of Applied Physical Chemistry (ISOFYS), Ghent University, Coupure links 653, B-9000 Ghent (Belgium)

    2008-07-01T23:59:59.000Z

    A technique to measure biological methane oxidation in landfill cover soils that is gaining increased interest is the measurement of stable isotope fractionation in the methane. Usually to quantify methane oxidation, only fractionation by oxidation is taken into account. Recently it was shown that neglecting the isotope fractionation by diffusion results in underestimation of the methane oxidation. In this study a simulation model was developed that describes gas transport and methane oxidation in landfill cover soils. The model distinguishes between {sup 12}CH{sub 4}, {sup 13}CH{sub 4}, and {sup 12}CH{sub 3}D explicitly, and includes isotope fractionation by diffusion and oxidation. To evaluate the model, the simulations were compared with column experiments from previous studies. The predicted concentration profiles and isotopic profiles match the measured ones very well, with a root mean square deviation (RMSD) of 1.7 vol% in the concentration and a RMSD of 0.8 per mille in the {delta}{sup 13}C value, with {delta}{sup 13}C the relative {sup 13}C abundance as compared to an international standard. Overall, the comparison shows that a model-based isotope approach for the determination of methane oxidation efficiencies is feasible and superior to existing isotope methods.

  16. Ab initio defect energetics of perovskite (001) surfaces for solid oxide fuel cells: A comparative study of LaMnO[subscript 3] versus SrTiO[subscript 3] and LaAlO[subscript 3

    E-Print Network [OSTI]

    Lee, Yueh-Lin

    In this paper, we perform a comparative study based on ab initio modeling for perovskite ABO[subscript 3] (001) surfaces and surface defect energetics in order to understand the influence of polarity and redox active Mn ...

  17. Polysaccharide Nanocomposites Reinforced with Graphene Oxide and Keratin-Grafted Graphene Oxide

    E-Print Network [OSTI]

    Polysaccharide Nanocomposites Reinforced with Graphene Oxide and Keratin-Grafted Graphene Oxide, chitosan-starch, and carboxymethyl cellulose-starch reinforced with graphene oxide and graphene grafted with keratin were developed. Composites films had been prepared for the casting/solvent evaporation method

  18. TIME DEPENDENT BREAKDOWN OF GATE OXIDE AND PREDICTION OF OXIDE GATE LIFETIME

    E-Print Network [OSTI]

    Mahmoodi, Hamid

    TIME DEPENDENT BREAKDOWN OF GATE OXIDE AND PREDICTION OF OXIDE GATE LIFETIME A thesis submitted Masters of Science In Engineering: Embedded System by Bin Wu San Francisco, California May, 2012 #12;CERTIFICATION OF APPROVAL I certify that I have read Time dependent Breakdown of Gate Oxide and Prediction

  19. Comparison of a thermospheric photochemical model with Student Nitric Oxide Explorer (SNOE) observations of nitric oxide

    E-Print Network [OSTI]

    Bailey, Scott

    and of time. There are two principal energy sources that lead to the production of nitric oxideComparison of a thermospheric photochemical model with Student Nitric Oxide Explorer (SNOE) observations of nitric oxide C. A. Barth Laboratory for Atmospheric and Space Physics, University of Colorado

  20. Single-Crystal Tungsten Oxide Nanosheets: Photochemical Water Oxidation in the Quantum Confinement Regime

    E-Print Network [OSTI]

    Osterloh, Frank

    Single-Crystal Tungsten Oxide Nanosheets: Photochemical Water Oxidation in the Quantum Confinement, catalysis, WO3, tungsten oxide, nanosheet, nanocrystal, quantum confinement, solar energy conversion INTRODUCTION Tungsten trioxide crystallizes in the ReO3 structure type and is an n-type semiconductor with a 2

  1. Synthesis of novel symmetrical macrocycle via oxidative homocoupling of bisalkyne

    SciTech Connect (OSTI)

    Kamalulazmy, Nurulain; Hassan, Nurul Izzaty [School of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan (Malaysia)

    2014-09-03T23:59:59.000Z

    A novel symmetrical macrocycle has been synthesised via oxidative homocoupling of bisalkyne, diprop-2-ynyl pyridine-2,6-dicarboxylate mediated by copper (I) iodide (CuI) and 4-dimethylaminopyridine (DMAP). The precursor compound was synthesised from 2,6-pyridine dicarbonyl dichloride and propargyl alcohol in the presence of triethylamine. The reaction mixture was stirred overnight and further purified via column chromatograpy with 76% yield. Single crystal for X-ray study was obtained by recrystallization from acetone. Subsequently, a symmetrical macrocycle was synthesised from oxidative homocoupling of precursor compound in open atmosphere. The crude product was purified by column chromatography to furnish macrocycle compound with 5% yield. Both compounds were characterised by IR, {sup 1}H and {sup 13}C NMR and mass spectral techniques. The unusual conformation of the bisalkyne and twisted conformation of designed macrocycle has influence the percentage yield. This has been studied thoroughly by X-ray crystallography and electronic structure calculations.

  2. Effect of interfacial oxide layers on the current-voltage characteristics of Al-Si contacts

    E-Print Network [OSTI]

    Nishizono, Taira

    1976-01-01T23:59:59.000Z

    reported (24). Silicon- Schottky-barrier solar cells having a carefully grown oxide layer in- creased the open-circuit voltage. Also, the minority-carrier injection efficiency of silicon-Schottky diodes were increased by a similar thin-oxide film (25...: Dr. W, A. Porter An experimental study has been made of aluminum-silicon contacts D with very thin interfacial oxide layers (15-100A) and various surface 16 20 impurity concentrations (10 ? 10 atoms/cm ) for both n and p-type silicon...

  3. Hydrocarbon reaction with HF-cleaned Si(lOQ) and effects on metal-oxide-semiconductor device quality

    E-Print Network [OSTI]

    Rubloff, Gary W.

    Hydrocarbon reaction with HF-cleaned Si(lOQ) and effects on metal-oxide-semiconductor device-cleaned Si( 100) towards hydrocarbon adsorption is examined by surface analysis; most hydrocarbons adsorb oxidation after HF treatment.4'5 In this letter, passivation against hydrocarbon contamination is studied

  4. CO Oxidation on Pt-Group Metals from Ultrahigh Vacuum to Near Atmospheric Pressures. 2. Palladium and Platinum

    E-Print Network [OSTI]

    Goodman, Wayne

    CO Oxidation on Pt-Group Metals from Ultrahigh Vacuum to Near Atmospheric Pressures. 2. PalladiumVed: NoVember 3, 2008 CO oxidation on Pd(100), -(111), -(110), and Pt(110) single crystals was studied compositions. At low pressures the reaction fell into two regimes, one with a CO-dominant surface where the CO2

  5. Bulk Gold-Catalyzed Reactions of Isocyanides, Amines, and Amine N-Oxides

    SciTech Connect (OSTI)

    Klobukowski, Erik; Angelici, Robert; Woo, Keith L.

    2012-01-26T23:59:59.000Z

    Bulk gold powder (5–50 ?m particles) catalyzes the reactions of isocyanides with amines and amine N-oxides to produce ureas. The reaction of n-butyl isocyanide (nBu–N?C) with di-n-propylamine and N-methylmorpholine N-oxide in acetonitrile, which was studied in the greatest detail, produced 3-butyl-1,1-dipropylurea (O?C(NHnBu)(NnPr2)) in 99% yield at 60 °C within 2 h. Sterically and electronically different isocyanides, amines, and amine N-oxides react successfully under these conditions. Detailed studies support a two-step mechanism that involves a gold-catalyzed reaction of adsorbed isocyanide with the amine N-oxide to form an isocyanate (RN?C?O), which rapidly reacts with the amine to give the urea product. These investigations show that bulk gold, despite its reputation for poor catalytic activity, is capable of catalyzing these reactions.

  6. Apparatus and method for oxidizing organic materials

    DOE Patents [OSTI]

    Surma, J.E.; Bryan, G.H.; Geeting, J.G.H.; Butner, R.S.

    1998-01-13T23:59:59.000Z

    The invention is a method and apparatus using high cerium concentration in the anolyte of an electrochemical cell to oxidize organic materials. The method and apparatus further use an ultrasonic mixer to enhance the oxidation rate of the organic material in the electrochemical cell. 6 figs.

  7. REVERSIBLE SOLID OXIDE CELLS Mogens Mogensen1

    E-Print Network [OSTI]

    Chorkendorff2 and Torben Jacobsen3 1 Fuel Cell and Solid State Chemistry Department Risø National Laboratory The reversibility of solid oxide fuel cells (SOFC), i.e. that they could also work in the solid oxide electrolyser at a cell voltage of 1.48 V, which is the overall thermo-neutral voltage. Assuming an electricity cost of 3

  8. Nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A.; Choi, Daiwon; Wang, Donghai; Yang, Zhenguo

    2013-10-15T23:59:59.000Z

    Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The nanocomposite materials exhibit a specific capacity of at least twice that of the metal oxide material without the graphene at a charge/discharge rate greater than about 10 C.

  9. Nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A.; Choi, Daiwon; Wang, Donghai; Yang, Zhenguo

    2012-09-04T23:59:59.000Z

    Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The nanocomposite materials exhibit a specific capacity of at least twice that of the metal oxide material without the graphene at a charge/discharge rate greater than about 10C.

  10. Sulfur oxide adsorbents and emissions control

    DOE Patents [OSTI]

    Li, Liyu (Richland, WA); King, David L. (Richland, WA)

    2006-12-26T23:59:59.000Z

    High capacity sulfur oxide absorbents utilizing manganese-based octahedral molecular sieve (Mn--OMS) materials are disclosed. An emissions reduction system for a combustion exhaust includes a scrubber 24 containing these high capacity sulfur oxide absorbents located upstream from a NOX filter 26 or particulate trap.

  11. Synthesis of nanoporous activated iridium oxide films by anodized aluminum oxide templated atomic layer deposition.

    SciTech Connect (OSTI)

    Comstock, D. J.; Christensen, S. T.; Elam, J. W.; Pellin, M. J.; Hersam, M. C. (Energy Systems); ( MSD); (Northwestern Univ.)

    2010-08-01T23:59:59.000Z

    Iridium oxide (IrOx) has been widely studied due to its applications in electrochromic devices, pH sensing, and neural stimulation. Previous work has demonstrated that both Ir and IrOx films with porous morphologies prepared by sputtering exhibit significantly enhanced charge storage capacities. However, sputtering provides only limited control over film porosity. In this work, we demonstrate an alternative scheme for synthesizing nanoporous Ir and activated IrOx films (AIROFs). This scheme utilizes atomic layer deposition to deposit a thin conformal Ir film within a nanoporous anodized aluminum oxide template. The Ir film is then activated by potential cycling in 0.1 M H{sub 2}SO{sub 4} to form a nanoporous AIROF. The morphologies and electrochemical properties of the films are characterized by scanning electron microscopy and cyclic voltammetry, respectively. The resulting nanoporous AIROFs exhibit a nanoporous morphology and enhanced cathodal charge storage capacities as large as 311 mC/cm{sup 2}.

  12. Assessment of the methane oxidation capacity of compacted soils intended for use as landfill cover materials

    SciTech Connect (OSTI)

    Rachor, Ingke, E-mail: i.rachor@ifb.uni-hamburg.de [University of Hamburg, Institute of Soil Science, Allende-Platz 2, 20146 Hamburg (Germany); Gebert, Julia; Groengroeft, Alexander; Pfeiffer, Eva-Maria [University of Hamburg, Institute of Soil Science, Allende-Platz 2, 20146 Hamburg (Germany)

    2011-05-15T23:59:59.000Z

    The microbial oxidation of methane in engineered cover soils is considered a potent option for the mitigation of emissions from old landfills or sites containing wastes of low methane generation rates. A laboratory column study was conducted in order to derive design criteria that enable construction of an effective methane oxidising cover from the range of soils that are available to the landfill operator. Therefore, the methane oxidation capacity of different soils was assessed under simulated landfill conditions. Five sandy potential landfill top cover materials with varying contents of silt and clay were investigated with respect to methane oxidation and corresponding soil gas composition over a period of four months. The soils were compacted to 95% of their specific proctor density, resulting in bulk densities of 1.4-1.7 g cm{sup -3}, reflecting considerably unfavourable conditions for methane oxidation due to reduced air-filled porosity. The soil water content was adjusted to field capacity, resulting in water contents ranging from 16.2 to 48.5 vol.%. The investigated inlet fluxes ranged from 25 to about 100 g CH{sub 4} m{sup -2} d{sup -1}, covering the methane load proposed to allow for complete oxidation in landfill covers under Western European climate conditions and hence being suggested as a criterion for release from aftercare. The vertical distribution of gas concentrations, methane flux balances as well as stable carbon isotope studies allowed for clear process identifications. Higher inlet fluxes led to a reduction of the aerated zone, an increase in the absolute methane oxidation rate and a decline of the relative proportion of oxidized methane. For each material, a specific maximum oxidation rate was determined, which varied between 20 and 95 g CH{sub 4} m{sup -2} d{sup -1} and which was positively correlated to the air-filled porosity of the soil. Methane oxidation efficiencies and gas profile data imply a strong link between oxidation capacity and diffusive ingress of atmospheric air. For one material with elevated levels of fine particles and high organic matter content, methane production impeded the quantification of methane oxidation potentials. Regarding the design of landfill cover layers it was concluded that the magnitude of the expected methane load, the texture and expected compaction of the cover material are key variables that need to be known. Based on these, a column study can serve as an appropriate testing system to determine the methane oxidation capacity of a soil intended as landfill cover material.

  13. Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111)....

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

    Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111). Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111). Abstract: Ordered tungsten oxide ultra-thin films were...

  14. Revealing the Nature of Emergent Ferromagnetism at an Oxide Heterointe...

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

    structures 6-8. LaAlO3 (lanthanum aluminium oxide, LAO) and SrTiO3 (strontium titanium oxide, STO) materials are perovskites, a class of mineral oxides whose unique...

  15. Micropatterning of Proteins and Mammalian Cells on Indium Tin Oxide

    E-Print Network [OSTI]

    Revzin, Alexander

    Micropatterning of Proteins and Mammalian Cells on Indium Tin Oxide Sunny S. Shah, Michael C and electrochemical activation to create micropatterned cocultures on indium tin oxide (ITO) substrates applications in tissue engineering and biosensing. KEYWORDS: indium tin oxide · photolithography · switchable

  16. Oxidation of carbynes: Signatures in infrared spectra

    SciTech Connect (OSTI)

    Cinquanta, E., E-mail: eugenio.cinquanta@mdm.imm.cnr.it, E-mail: p.rudolf@rug.nl [CIMAINA, University of Milan, Via Celoria 16, 20133 Milano (Italy); Department of Materials Science, University of Milan Bicocca, Via Cozzi 53, 20125 Milano (Italy); Manini, N.; Caramella, L.; Onida, G. [European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milano (Italy); Physics Department, University of Milan, Via Celoria 16, 20133 Milano (Italy); Ravagnan, L.; Milani, P. [CIMAINA, University of Milan, Via Celoria 16, 20133 Milano (Italy); Physics Department, University of Milan, Via Celoria 16, 20133 Milano (Italy); Rudolf, P., E-mail: eugenio.cinquanta@mdm.imm.cnr.it, E-mail: p.rudolf@rug.nl [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands)

    2014-06-28T23:59:59.000Z

    We report and solidly interpret the infrared spectrum of both pristine and oxidized carbynes embedded in a pure-carbon matrix. The spectra probe separately the effects of oxidation on sp- and on sp{sup 2}-hybridized carbon, and provide information on the stability of the different structures in an oxidizing atmosphere. The final products are mostly short end-oxidized carbynes anchored with a double bond to sp{sup 2} fragments, plus an oxidized sp{sup 2} amorphous matrix. Our results have important implications for the realization of carbyne-based nano-electronics devices and highlight the active participation of carbynes in astrochemical reactions where they act as carbon source for the promotion of more complex organic species.

  17. Two Dimensional Polymer That Generates Nitric Oxide.

    DOE Patents [OSTI]

    McDonald, William F. (Utica, OH); Koren, Amy B. (Lansing, MI)

    2005-10-04T23:59:59.000Z

    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.

  18. Electro-deposition of superconductor oxide films

    DOE Patents [OSTI]

    Bhattacharya, Raghu N. (Littleton, CO)

    2001-01-01T23:59:59.000Z

    Methods for preparing high quality superconducting oxide precursors which are well suited for further oxidation and annealing to form superconducting oxide films. The method comprises forming a multilayered superconducting precursor on a substrate by providing an electrodeposition bath comprising an electrolyte medium and a substrate electrode, and providing to the bath a plurality of precursor metal salts which are capable of exhibiting superconducting properties upon subsequent treatment. The superconducting precursor is then formed by electrodepositing a first electrodeposited (ED) layer onto the substrate electrode, followed by depositing a layer of silver onto the first electrodeposited (ED) layer, and then electrodepositing a second electrodeposited (ED) layer onto the Ag layer. The multilayered superconducting precursor is suitable for oxidation at a sufficient annealing temperature in air or an oxygen-containing atmosphere to form a crystalline superconducting oxide film.

  19. Graphite oxidation modeling for application in MELCOR.

    SciTech Connect (OSTI)

    Gelbard, Fred

    2009-01-01T23:59:59.000Z

    The Arrhenius parameters for graphite oxidation in air are reviewed and compared. One-dimensional models of graphite oxidation coupled with mass transfer of oxidant are presented in dimensionless form for rectangular and spherical geometries. A single dimensionless group is shown to encapsulate the coupled phenomena, and is used to determine the effective reaction rate when mass transfer can impede the oxidation process. For integer reaction order kinetics, analytical expressions are presented for the effective reaction rate. For noninteger reaction orders, a numerical solution is developed and compared to data for oxidation of a graphite sphere in air. Very good agreement is obtained with the data without any adjustable parameters. An analytical model for surface burn-off is also presented, and results from the model are within an order of magnitude of the measurements of burn-off in air and in steam.

  20. The effects of nitrogen oxides on cytochrome P-450 mediated mixed-function oxidations in mammalian lung

    E-Print Network [OSTI]

    Tucker, Leo Dean

    1979-01-01T23:59:59.000Z

    toxic effect at the sub-cell- ular level. Nitrogen dioxide is considered the most toxic nitrogen oxide in polluted air. 1he toxicity and biological effects of this pollutant have been extensively studied and may detailed reviews are available (16..., 17, 35, 54, 55, 89). Since atmospheric NO2 primarily affects the lungs, exposure to this pollutant may cause alterations in the ultra- structure, physiology, aud biochemistry of this organ (50). Nitrogen dioxide exerts its toxic effects...