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Sample records for geothermometry cation geothermometers

  1. Multicomponent Equilibrium Models for Testing Geothermometry Approaches

    SciTech Connect (OSTI)

    Cooper, D. Craig; Carl D. Palmer; Robert W. Smith; Travis L. McLing

    2013-02-01

    Geothermometry is an important tool for estimating deep reservoir temperature from the geochemical composition of shallower and cooler waters. The underlying assumption of geothermometry is that the waters collected from shallow wells and seeps maintain a chemical signature that reflects equilibrium in the deeper reservoir. Many of the geothermometers used in practice are based on correlation between water temperatures and composition or using thermodynamic calculations based a subset (typically silica, cations or cation ratios) of the dissolved constituents. An alternative approach is to use complete water compositions and equilibrium geochemical modeling to calculate the degree of disequilibrium (saturation index) for large number of potential reservoir minerals as a function of temperature. We have constructed several “forward” geochemical models using The Geochemist’s Workbench to simulate the change in chemical composition of reservoir fluids as they migrate toward the surface. These models explicitly account for the formation (mass and composition) of a steam phase and equilibrium partitioning of volatile components (e.g., CO2, H2S, and H2) into the steam as a result of pressure decreases associated with upward fluid migration from depth. We use the synthetic data generated from these simulations to determine the advantages and limitations of various geothermometry and optimization approaches for estimating the likely conditions (e.g., temperature, pCO2) to which the water was exposed in the deep subsurface. We demonstrate the magnitude of errors that can result from boiling, loss of volatiles, and analytical error from sampling and instrumental analysis. The estimated reservoir temperatures for these scenarios are also compared to conventional geothermometers. These results can help improve estimation of geothermal resource temperature during exploration and early development.

  2. Cation Geothermometers | Open Energy Information

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  3. Improved Geothermometry Through Multivariate Reaction Path Modeling...

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

    Improved Geothermometry Through Multivariate Reaction Path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators Improved Geothermometry...

  4. An experimental investigation into the effects of fluid composition on certain geothermometry methods 

    E-Print Network [OSTI]

    Pope, Leslie Anne

    1985-01-01

    to the surface and the rock type through which it flows, 4) the geothermal gradient, 6) the flow rate to the surface, 6) steam loss, 7) mixing with other thermal waters, and 8 ) dilution by non-thermal waters . In the geothermometry methods discussed... to be called the quartz geothermometer. The equation for the quartz geothermometer is based on the dissolution reaction of pure quartz as shown by the following reaction: 2 (qtz) 2 (aq) For pure quartz, the activity is equal to one, and the equilibrium...

  5. Evaluation Of Chemical Geothermometers For Calculating Reservoir...

    Open Energy Info (EERE)

    Evaluation Of Chemical Geothermometers For Calculating Reservoir Temperatures At Nevada Geothermal Power Plants Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  6. Mineral Selection for Multicomponent Equilibrium Geothermometry

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

    Plamer, C. D.; Ohly, S. R.; Smith, R. W.; Neupane, G.; McLing, T.; Mattson, E.

    2015-04-01

    Muliticomponent geothermometry requires knowledge of the mineral phases in the reservoir with which the geothermal fluids may be equilibrated.

  7. Derivation and calibration of semi-empirical gas geothermometers for Mahanagdong Geothermal Project, Philippines

    SciTech Connect (OSTI)

    Sanchez, D.R.

    1996-12-31

    The dissolved CO{sub 2}, H{sub 2}S, and H{sub 2} gases in Mahanagdong aquifer fluids are controlled by specific gas-mineral equilibria. At temperature range of 250 to 310 {degrees}C, CO{sub 2} is buffered by clinozoisite + K-feldspar + calcite + muscovite (illite) + quartz mineral assemblage. For H{sub 2}S and H{sub 2} dissolved gases, they are more likely buffered by pyrrhotite + pyrite + magnetite mineral assemblage at similar temperature range. Calibration of five Mahanagdong (MG) gas geothermometers is presented, three of which used CO{sub 2}, H{sub 2}S, and H{sub 2} concentration in steam. The remaining two use CO{sub 2}/H{sub 2} and H{sub 2}S/H{sub 2} ratios. The calibration is based on the relation between gas content of drillhole discharges and measured aquifer temperatures. After establishing the gas content in the aquifer, gas concentrations were computed in steam after adiabatic boiling to atmospheric condition (100 {degrees}C), to obtain gas geothermometry functions. These functions could also be used in evaluating fraction of steam condensation and temperature of phase separation. A demonstration given the Mahanagdong fumarole data, indicates that there is generally a fair relation between computed temperatures using Mahanagdong gas geothermometers and the actual field trend`s temperatures.

  8. Geothermometry At Nevada Test And Training Range Area (Sabin...

    Open Energy Info (EERE)

    Geothermometry At Nevada Test And Training Range Area (Sabin, Et Al., 2004) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermometry At...

  9. Geothermometry At Nw Basin & Range Region (Shevenell & De Rocher...

    Open Energy Info (EERE)

    Geothermometry At Nw Basin & Range Region (Shevenell & De Rocher, 2005) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermometry At Nw...

  10. Geothermometry At Central Nevada Seismic Zone Region (Shevenell...

    Open Energy Info (EERE)

    Geothermometry At Central Nevada Seismic Zone Region (Shevenell & De Rocher, 2005) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermometry...

  11. Cation Geothermometers At Lightning Dock Geothermal Area (Witcher, 2006) |

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  12. Improved Geothermometry Through Multivariate Reaction-path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators: Final Report

    SciTech Connect (OSTI)

    Mattson, Earl; Smith, Robert; Fujita, Yoshiko; McLing, Travis; Neupane, Ghanashyam; Palmer, Carl; Reed, David; Thompson, Vicki

    2015-03-01

    The project was aimed at demonstrating that the geothermometric predictions can be improved through the application of multi-element reaction path modeling that accounts for lithologic and tectonic settings, while also accounting for biological influences on geochemical temperature indicators. The limited utilization of chemical signatures by individual traditional geothermometer in the development of reservoir temperature estimates may have been constraining their reliability for evaluation of potential geothermal resources. This project, however, was intended to build a geothermometry tool which can integrate multi-component reaction path modeling with process-optimization capability that can be applied to dilute, low-temperature water samples to consistently predict reservoir temperature within ±30 °C. The project was also intended to evaluate the extent to which microbiological processes can modulate the geochemical signals in some thermal waters and influence the geothermometric predictions.

  13. Geothermometry At Walker-Lane Transitional Zone Region (Shevenell...

    Open Energy Info (EERE)

    De Rocher, 2005) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermometry At Walker-Lane Transitional Zone Region (Shevenell & De Rocher,...

  14. Geothermometry At Mt Princeton Hot Springs Geothermal Area (Pearl...

    Open Energy Info (EERE)

    Et Al., 1976) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermometry At Mt Princeton Hot Springs Geothermal Area (Pearl, Et Al., 1976)...

  15. Geothermometry At Long Valley Caldera Geothermal Area (Mariner...

    Open Energy Info (EERE)

    Mariner & Willey, 1976) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermometry At Long Valley Caldera Geothermal Area (Mariner & Willey,...

  16. Chemical Geothermometers And Mixing Models For Geothermal Systems | Open

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  17. Category:Geothermometry | Open Energy Information

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  18. New Mexico conservative ion water chemistry data and chalcedony geothermometry

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

    Shari Kelley

    2015-10-21

    Compilation of boron, lithium, bromine, and silica data from wells and springs throughout New Mexico from a wide variety of sources. The chalcedony geothermometry calculation is included in this file.

  19. Microbial impacts on geothermometry temperature predictions

    SciTech Connect (OSTI)

    Yoshiko Fujita; David W. Reed; Kaitlyn R. Nowak; Vicki S. Thompson; Travis L. McLing; Robert W. Smith

    2013-02-01

    Conventional geothermometry approaches assume that the composition of a collected water sample originating in a deep geothermal reservoir still reflects chemical equilibration of the water with the deep reservoir rocks. However, for geothermal prospecting samples whose temperatures have dropped to <120°C, temperature predictions may be skewed by the activity of microorganisms; microbial metabolism can drastically and rapidly change the water’s chemistry. We hypothesize that knowledge of microbial impacts on exploration sample geochemistry can be used to constrain input into geothermometry models and thereby improve the reliability of reservoir temperature predictions. To evaluate this hypothesis we have chosen to focus on sulfur cycling, because of the significant changes in redox state and pH associated with sulfur chemistry. Redox and pH are critical factors in defining the mineral-fluid equilibria that form the basis of solute geothermometry approaches. Initially we are developing assays to detect the process of sulfate reduction, using knowledge of genes specific to sulfate reducing microorganisms. The assays rely on a common molecular biological technique known as quantitative polymerase chain reaction (qPCR), which allows estimation of the number of target organisms in a particular sample by enumerating genes specific to the organisms rather than actually retrieving and characterizing the organisms themselves. For quantitation of sulfate reducing genes using qPCR, we constructed a plasmid (a piece of DNA) containing portions of two genes (known as dsrA and dsrB) that are directly involved with sulfate reduction and unique to sulfate reducing microorganisms. Using the plasmid as well as DNA from other microorganisms known to be sulfate reducers or non-sulfate reducers, we developed qPCR protocols and showed the assay’s specificity to sulfate reducers and that a qPCR standard curve using the plasmid was linear over >5 orders of magnitude. As a first test with actual field samples, the assay was applied to DNA extracted from water collected at springs located in and around the town of Soda Springs, Idaho. Soda Springs is located in the fold and thrust belt on the eastern boundary of the track of the Yellowstone Hotspot, where a deep carbon dioxide source believed to originate from Mississippian limestone contacts acidic hydrothermal fluids at depth. Both sulfate and sulfide have been measured in samples collected previously at Soda Springs. Preliminary results indicate that sulfate reducing genes were present in each of the samples tested. Our work supports evaluation of the potential for microbial processes to have altered water chemistry in geothermal exploration samples.

  20. Mineral Selection for Multicomponent Equilibrium Geothermometry

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

    Plamer, C. D.; Ohly, S. R.; Smith, R. W.; Neupane, G.; McLing, T.; Mattson, E.

    2015-04-01

    Multicomponent geothermometry requires knowledge of the mineral phases in the reservoir with which the geothermal fluids may be equilibrated. These minerals phases are most often alteration products rather than primary minerals. We have reviewed the literature on geothermal systems representing most major geologic environments typically associated with geothermal activity and identified potential alteration products in various environments. We have included this information in RTEst, a code we have developed to estimate reservoir conditions (temperature, CO2 fugacity) from the geochemistry of near-surface geothermal waters. The information has been included in RTEst through the addition of filters that decrease the potential numbermore »of minerals from all possibilities based on the basis species to those that are more relevant to the particular conditions in which the user is interested. The three groups of filters include host rock type (tholeiitic, calc-alkaline, silicic, siliciclastic, carbonate), water type (acidic, neutral), and the temperature range over which the alteration minerals were formed (low, medium, high). The user-chosen mineral assemblage is checked to make sure that it does not violate the Gibbs phase rule. The user can select one of three mineral saturation weighting schemes that decrease the chance the optimization from being skewed by reaction stoichiometry or analytical uncertainty.« less

  1. Geochemistry Sampling for Traditional and Multicomponent Equilibrium Geothermometry in Southeast Idaho

    SciTech Connect (OSTI)

    Cannon, Cody; Wood, Thomas; Neupane, Ghanashyam; McLing, Travis; Mattson, Earl; Dobson, Patrick; Conrad, Mark

    2014-10-01

    The Eastern Snake River Plain (ESRP) is an area of high regional heat flux due the movement of the North American Plate over the Yellowstone Hotspot beginning ca.16 Ma. Temperature gradients between 45-60 °C/km (up to double the global average) have been calculated from deep wells that penetrate the upper aquifer system (Blackwell 1989). Despite the high geothermal potential, thermal signatures from hot springs and wells are effectively masked by the rapid flow of cold groundwater through the highly permeable basalts of the Eastern Snake River Plain aquifer (ESRPA) (up to 500+ m thick). This preliminary study is part of an effort to more accurately predict temperatures of the ESRP deep thermal reservoir while accounting for the effects of the prolific cold water aquifer system above. This study combines the use of traditional geothermometry, mixing models, and a multicomponent equilibrium geothermometry (MEG) tool to investigate the geothermal potential of the ESRP. In March, 2014, a collaborative team including members of the University of Idaho, the Idaho National Laboratory, and the Lawrence Berkeley National Laboratory collected 14 thermal water samples from and adjacent to the Eastern Snake River Plain. The preliminary results of chemical analyses and geothermometry applied to these samples are presented herein.

  2. Multicomponent Geothermometers | Open Energy Information

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  3. Silica Geothermometers | Open Energy Information

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  4. Uni cation Theory Franz Baader

    E-Print Network [OSTI]

    Baader, Franz

    HANDBOOK OF AUTOMATED REASONING Edited by Alan Robinson and Andrei Voronkov c 2001 Elsevier Science is a fundamental process upon which many methods for automated de- duction are based. Uni#12;cation theory

  5. Cation–cation interactions and cation exchange in a series of isostructural framework uranyl tungstates

    SciTech Connect (OSTI)

    Balboni, Enrica [Department of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame, Notre Dame, IN 46556 (United States); Burns, Peter C., E-mail: pburns@nd.edu [Department of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame, Notre Dame, IN 46556 (United States); Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556 (United States)

    2014-05-01

    The isotypical compounds (UO{sub 2}){sub 3}(WO{sub 6})(H{sub 2}O){sub 5} (1), Ag(UO{sub 2}){sub 3}(WO{sub 6})(OH)(H{sub 2}O){sub 3} (2), K(UO{sub 2}){sub 3}(WO{sub 6})OH(H{sub 2}O){sub 4} (3), Rb(UO{sub 2}){sub 3}(WO{sub 6})(OH)(H{sub 2}O){sub 3.5} (4), and Cs(UO{sub 2}){sub 3}(WO{sub 6})OH(H{sub 2}O){sub 3} (5) were synthesized, characterized, and their structures determined. Each crystallizes in space group Cc. (1): a=12.979 (3), b=10.238 (2), c=11.302 (2), ?=102.044 (2); (2): a=13.148 (2), b=9.520 (1), c=11.083 (2), ?=101.568 (2); (3): a=13.111 (8), b=9.930 (6), c=11.242 (7), ?=101.024 (7); (4): a=12.940 (2), b=10.231 (2), c=11.259(2), ?=102.205 (2); (5): a=12.983 (3), b=10.191 (3), c=11.263 (4), ?=101.661 (4). Compounds 1–5 are a framework of uranyl and tungsten polyhedra containing cation–cation interactions. The framework has three symmetrically distinct U(VI) cations, one tungsten, sixteen to eighteen oxygen atoms, and in 2–5, one monovalent cation. Each atom occupies a general position. Each U(VI) cation is present as a typical (UO{sub 2}){sup 2+} uranyl ion in an overall pentagonal bipyramidal coordination environment. Each pentagonal bipyramid shares two equatorial edges with two other pentagonal bipyramids, forming a trimer. Trimers are connected into chains by edge-sharing with WO{sub 6} octahedra. Chains are linked through cation–cation interactions between two symmetrically independent uranyl ions. This yields a remarkably complex system of intersecting channels that extend along [0 0 1] and [?1 1 0]. The cation exchange properties of 2 and 3 were characterized at room temperature and at 140 °C. - Graphical abstract: Chains of uranium and tungsten polyhedra are connected into a three dimensional framework by cation–cation interactions occurring between two symmetrically independent uranyl pentagonal bipyramids. Monovalent cations present in channels within the structure can be exchanged by room temperature or mild hydrothermal treatments. The framework of these compounds is robust to cation exchange and heat. (yellow polyhedra=uranium pentagonal bipyramids; blue polyhedra=tungsten octahedral, purple balls=K; yellow balls=Na; grey balls=Tl). - Highlights: • Five isostructural uranyl tungstates compounds were synthesized hydrothermally. • The structures consist of a chains of uranium and tungstate polyhedral. • Chains are connected into a framework by cation–cation interactions. • Cation exchange does not alter the structural integrity of the compounds. • Cation exchange was successful at room temperature and mild hydrothermal conditions.

  6. Geothermometry | Open Energy Information

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  7. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01

    in the synthesis of cationic inorganic materials andmetals lead to synthesis of cationic inorganic materials andthe synthesis of cationic inorganic layered materials, which

  8. Cationic electrodepositable coating composition comprising lignin

    DOE Patents [OSTI]

    Fenn, David; Bowman, Mark P; Zawacky, Steven R; Van Buskirk, Ellor J; Kamarchik, Peter

    2013-07-30

    A cationic electrodepositable coating composition is disclosed. The present invention in directed to a cationic electrodepositable coating composition comprising a lignin-containing cationic salt resin, that comprises (A) the reaction product of: lignin, an amine, and a carbonyl compound; (B) the reaction product of lignin, epichlorohydrin, and an amine; or (C) combinations thereof.

  9. Method for encapsulating and isolating hazardous cations, medium for encapsulating and isolating hazardous cations

    DOE Patents [OSTI]

    Wasserman, Stephen R. (Darien, IL); Anderson, Kenneth B. (Lisle, IL); Song, Kang (Woodridge, IL); Yuchs, Steven E. (Naperville, IL); Marshall, Christopher L. (Naperville, IL)

    1998-01-01

    A method for encapsulating hazardous cations is provided comprising supplying a pretreated substrate containing the cations; contacting the substrate with an organo-silane compound to form a coating on the substrate; and allowing the coating to cure. A medium for containing hazardous cations is also provided, comprising a substrate having ion-exchange capacity and a silane-containing coating on the substrate.

  10. Speci cation and Veri cation of a Steam-Boiler with Signal-Coq Micka l Kerb uf1

    E-Print Network [OSTI]

    Boyer, Edmond

    Speci cation and Veri cation of a Steam-Boiler with Signal-Coq Micka l Kerb uf1 , David Nowak2 assistant, Coq, for the speci cation and the veri cation of co-inductive properties of the well-known steam-boiler cation tools. Keywords: synchronous programming, theorem proving, the steam- boiler problem. 1

  11. Evaluation Of Chemical Geothermometers For Calculating Reservoir

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  12. Category:Silica Geothermometers | Open Energy Information

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  13. Method for encapsulating and isolating hazardous cations, medium for encapsulating and isolating hazardous cations

    DOE Patents [OSTI]

    Wasserman, S.R.; Anderson, K.B.; Song, K.; Yuchs, S.E.; Marshall, C.L.

    1998-04-28

    A method for encapsulating hazardous cations is provided comprising supplying a pretreated substrate containing the cations; contacting the substrate with an organo-silane compound to form a coating on the substrate; and allowing the coating to cure. A medium for containing hazardous cations is also provided, comprising a substrate having ion-exchange capacity and a silane-containing coating on the substrate. 3 figs.

  14. Role of Cation-Water Disorder during Cation Exchange in Small...

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

    in a closed elliptical channel, whereas the large baseball represents a disordered cesium cation in an open circular channel. The most fundamental chemical property of zeolites...

  15. Synthesis of a Cationic Inorganic Layered Material for Trapping Anionic Pharmaceutical Pollutants

    E-Print Network [OSTI]

    Sergo, Kevin Michael

    2013-01-01

    CRUZ SYNTHESIS OF A CATIONIC INORGANIC LAYERED MATERIAL FORAbstract Synthesis of a Cationic Inorganic Layered Material

  16. Liquid Geothermometry | Open Energy Information

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  17. Gas Geothermometry | Open Energy Information

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  18. Isotope Geothermometry | Open Energy Information

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  19. NEAR DEGENERATE REARRANGEMENT BETWEEN THE RADICAL CATIONS OF FORMALDEHYDE AND HYDROXYMETHYLENE

    E-Print Network [OSTI]

    Osamura, Y.

    2010-01-01

    THE RADICAL CATIONS OF FORMALDEHYDE AND HYDROXYMETHYLENEthe Radical Cations of Formaldehyde and Hydroxymethylenethan the anticipated formaldehyde radical cation H CO+. This

  20. Cation-cation interactions, magnetic communication and reactivity of the pentavalent uraniumion [U(NR)2]+

    SciTech Connect (OSTI)

    Spencer, Liam P [Los Alamos National Laboratory; Schelter, Eric J [Los Alamos National Laboratory; Boncella, James M [Los Alamos National Laboratory; Yang, Ping [Los Alamos National Laboratory; Gsula, Robyn L [NON LANL; Scott, Brian L [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory; Kiplinger, Jacqueline L [Los Alamos National Laboratory; Batista, Enrique R [Los Alamos National Laboratory

    2009-01-01

    The dimeric bis(imido) uranium complex [{l_brace}U(NtBu)2(I)(tBu2bpy){r_brace}2] (see picture; U green, N blue, I red) has cation-cation interactions between [U(NR)2]+ ions. This f1-f1 system also displays f orbital communication between uranium(V) centers at low temperatures, and can be oxidized to generate uranium(VI) bis(imido) complexes.

  1. Alkaline earth cation extraction from acid solution

    DOE Patents [OSTI]

    Dietz, Mark (Elmhurst, IL); Horwitz, E. Philip (Naperville, IL)

    2003-01-01

    An extractant medium for extracting alkaline earth cations from an aqueous acidic sample solution is described as are a method and apparatus for using the same. The separation medium is free of diluent, free-flowing and particulate, and comprises a Crown ether that is a 4,4'(5')[C.sub.4 -C.sub.8 -alkylcyclohexano]18-Crown-6 dispersed on an inert substrate material.

  2. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOE Patents [OSTI]

    O'Neill, Malcolm A. (Winterville, GA); Pellerin, Patrice J. M. (Montpellier, FR); Warrenfeltz, Dennis (Athens, GA); Vidal, Stephane (Combaillaux, FR); Darvill, Alan G. (Athens, GA); Albersheim, Peter (Athens, GA)

    1999-01-01

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations.

  3. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOE Patents [OSTI]

    O`Neill, M.A.; Pellerin, P.J.M.; Warrenfeltz, D.; Vidal, S.; Darvill, A.G.; Albersheim, P.

    1999-03-02

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations. 15 figs.

  4. Nanoheterostructure Cation Exchange: Anionic Framework Conservation

    SciTech Connect (OSTI)

    Jain, Prashant K.; Amirav, Lilac; Aloni, Shaul; Alivisatos, A. Paul

    2010-05-11

    In ionic nanocrystals the cationic sub-lattice can be replaced with a different metal ion via a fast, simple, and reversible place-exchange, allowing post-synthetic modification of the composition of the nanocrystal, while preserving its size and shape. Here, we demonstrate for the first time that during such an exchange, the anionic framework of the crystal is preserved. When applied to nanoheterostructures, this phenomenon ensures that compositional interfaces within the heterostructure are conserved throughout the transformation. For instance, a morphology composed of a CdSe nanocrystal embedded in a CdS rod (CdSe/CdS) was exchanged to a PbSe/PbS nanorod via a Cu2Se/Cu2S structure. During every exchange cycle, the seed size and position within the nanorod were preserved, as evident by excitonic features, Z-contrast imaging, and elemental line-scans. Anionic framework conservation extends the domain of cation exchange to the design of more complex and unique nanostructures.

  5. Handheld Face Identi cation Technology in a Pervasive Computing Environment

    E-Print Network [OSTI]

    Poggio, Tomaso

    Handheld Face Identi#12;cation Technology in a Pervasive Computing Environment Eugene Weinstein 1 Institute of Technology, Laboratory for Computer Science, 200 Technology Square, Cambridge, MA 02139 USA a exible, modu- lar face identi#12;cation framework in the context of a pervasive computing environment

  6. High capacity nickel battery material doped with alkali metal cations

    DOE Patents [OSTI]

    Jackovitz, John F. (Monroeville, PA); Pantier, Earl A. (Penn Hills, PA)

    1982-05-18

    A high capacity battery material is made, consisting essentially of hydrated Ni(II) hydroxide, and about 5 wt. % to about 40 wt. % of Ni(IV) hydrated oxide interlayer doped with alkali metal cations selected from potassium, sodium and lithium cations.

  7. Image Processing Techniques for the Quanti cation of Atherosclerotic Changes

    E-Print Network [OSTI]

    Fisher, Bob

    Image Processing Techniques for the Quanti cation of Atherosclerotic Changes K.V. Chandrinos 1 , M processing of fundus images. This method would help in evaluating the e cacy of various treatments changes, focal narrowing and occlusion of retinal vessels. Automatic quanti cation of these changes would

  8. Mathematical Modeling of Cation Contamination in a Proton-exchange Membrane

    E-Print Network [OSTI]

    Weber, Adam

    2009-01-01

    Modeling of Cation Contamination in a Proton-exchangethe impact of cation contamination on cell potential. It ismembrane, Nafion, contamination, mathematical model, Stefan-

  9. Cation Transport in Polymer Electrolytes: A Microscopic Approach

    E-Print Network [OSTI]

    A. Maitra; A. Heuer

    2007-05-11

    A microscopic theory for cation diffusion in polymer electrolytes is presented. Based on a thorough analysis of molecular dynamics simulations on PEO with LiBF$_4$ the mechanisms of cation dynamics are characterised. Cation jumps between polymer chains can be identified as renewal processes. This allows us to obtain an explicit expression for the lithium ion diffusion constant D_{Li} by invoking polymer specific properties such as the Rouse dynamics. This extends previous phenomenological and numerical approaches. In particular, the chain length dependence of D_{Li} can be predicted and compared with experimental data. This dependence can be fully understood without referring to entanglement effects.

  10. The reactivity and cation exchange of MOF-5

    E-Print Network [OSTI]

    Brozek, Carl Kavanaugh

    2015-01-01

    The aim of this thesis is to demonstrate that the inorganic clusters within MOF-5 can be derivatized with redox-active cations for subsequent use in coordination chemistry and small-molecule activation. Rather than reproduce ...

  11. Cationic Main Group Compounds as Water Compatible Small Anion Receptors 

    E-Print Network [OSTI]

    Leamer, Lauren Anne

    2013-05-06

    anion. A significant amount of research has been conducted on triarylboranes containing cationic moieties such as ammonium, phosphonium, and sulfonium groups. This thesis will describe additional examples of such species, including a series of ammonium...

  12. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E.P.; Chiarizia, R.; Dietz, M.L.

    1998-12-22

    An extraction chromatographic material is described for extracting metal cations from a liquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methane-diphosphonic acid on an inert particulate support. 7 figs.

  13. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J. (Evanston, IL); Chen, You-Xian (Chicago, IL)

    1999-01-01

    A cationic metallocene complex with trisperfluorobiphenyl borate for use as a polymerization catalyst.

  14. In situ remediation process using divalent metal cations

    DOE Patents [OSTI]

    Brady, Patrick V.; Khandaker, Nadim R.; Krumhansl, James L.; Teter, David M.

    2004-12-14

    An in situ process for treating ambient solid materials (e.g., soils, aquifer solids, sludges) by adding one or more divalent metal cations to the ambient solid material. The added divalent metal cations, such as Cu.sup.2+ or Zn.sup.2+, combine with metal oxide/hydroxides (e.g., ferric oxide/hydroxide or aluminum oxide/hydroxide) already present in the ambient solid material to form an effective sorbent material having a large number of positively-charged surface complexes that binds and immobilizes anionic contaminant species (e.g., arsenic or chromate). Divalent metal cations can be added, for example, by injecting an aqueous solution of CuSO.sub.4 into an aquifer contaminated with arsenic or chromate. Also, sludges can be stabilized against leaching of anionic contaminants through the addition of divalent metal cations. Also, an inexpensive sorbent material can be easily formed by mixing divalent metal cations with soil that has been removed from the ground.

  15. Bistability of Cation Interstitials in II-VI Semiconductors

    SciTech Connect (OSTI)

    Wei, S. H.; Dalpian, G. M.

    2005-11-01

    The stability of cation interstitials in II-VI semiconductors is studied using ab initio methods. We find that interstitials in the neutral charge state are more stable in the tetrahedral interstitial site near the cation, whereas in the (2+) charge state, they are more stable near the anion. The diffusion energy barrier changes when the defect charge state changes. Therefore, if electrons/holes are taken from the defect level by light, changing its charge state, the interstitial atom will be able to diffuse almost spontaneously due to a reduced diffusion barrier.

  16. Two different cationic positions in Cu-SSZ-13?

    SciTech Connect (OSTI)

    Kwak, Ja Hun; Zhu, Haiyang; Lee, Jong H.; Peden, Charles HF; Szanyi, Janos

    2012-04-18

    H2-TPR and FTIR were used to characterize the Cu ions present in Cu-SSZ-13 zeolite at different ion exchange levels. The results obtained are consistent with the presence of Cu ions in two distinct cationic positions of the SSZ-13 framework.

  17. Steam boiler control speci cation problem: A TLA solution

    E-Print Network [OSTI]

    Cengarle, María Victoria

    Steam boiler control speci cation problem: A TLA solution Frank Le ke and Stephan Merz Institut fur of the state of the steam boiler, detect failures, and model message transmission. We give a more detailed between the physi- cal state of the steam boiler and the model maintained by the controller and discuss

  18. Power Generation Using Different Cation, Anion, and Ultrafiltration

    E-Print Network [OSTI]

    Power Generation Using Different Cation, Anion, and Ultrafiltration Membranes in Microbial Fuel during power generation. An anion exchange membrane (AEM) produced the largest power density (up to 610 m reports (5, 6), oxygen based cathodes provide a more sustainable method of power generation (6

  19. Theorem Proving Support for Hardware Veri cation |Preliminary Draft|

    E-Print Network [OSTI]

    Kapur, Deepak

    Theorem Proving Support for Hardware Veri#12;cation |Preliminary Draft| Deepak Kapur ? Department reasoning is viewed as a critical technology in designing complex hardware chips, con- trollers, network. Hardware chips are becoming complex, because of which it is increasingly being felt that formal techniques

  20. Integrated Chemical Geothermometry System for Geothermal Exploration

    Broader source: Energy.gov [DOE]

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

  1. Geothermometry (Klein, 2007) | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View New PagesSustainable UrbanKentucky:Bore TechnologiesAssessment InsettingGridGeothermeon(Klein,

  2. Category:Gas Geothermometry | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmentalBowerbank,CammackFLIR Jump to: navigation, search GEOTHERMALFacebook

  3. Category:Isotope Geothermometry | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmentalBowerbank,CammackFLIR Jump to: navigation,Ground Gravity Survey JumpInjectivity

  4. Category:Liquid Geothermometry | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmentalBowerbank,CammackFLIR Jump to: navigation,Ground Gravity SurveyIsotopicLabLiquid

  5. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, T.J.; Chen, Y.X.

    1999-01-05

    A cationic metallocene complex with trisperfluorobiphenyl borate is described for use as a polymerization catalyst. 7 figs.

  6. Computer Modeling Illuminates Degradation Pathways of Cations in Alkaline Membrane Fuel Cells (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-08-01

    Cation degradation insights obtained by computational modeling could result in better performance and longer lifetime for alkaline membrane fuel cells.

  7. An Algebraic Speci cation of the Steam-Boiler Control System

    E-Print Network [OSTI]

    Bidoit, Michel

    An Algebraic Speci#12;cation of the Steam-Boiler Control System Michel Bidoit 1 , Claude Chevenier describe how to derive an algebraic speci#12;cation of the Steam-Boiler Control System starting from to specify the detection of the steam-boiler fail- ures. Finally we discuss validation and veri#12;cation

  8. Molecular Dynamics of Methylamine, Methanol, and Methyl Fluoride Cations in Intense 7 Micron Laser Fields

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    Molecular Dynamics of Methylamine, Methanol, and Methyl Fluoride Cations in Intense 7 Micron Laser of methylamine (CH3NH2 + ), methanol (CH3OH+ ), and methyl fluoride (CH3F+ ) cations by short, intense laser 7 m laser pulses. This work is motivated by recent studies of methanol cations by Yamanouchi and co

  9. The effect of various cropping systems upon organic matter, total nitrogen, cation exchange capacity, exchangeable cations, conductivity and reaction 

    E-Print Network [OSTI]

    Mannan, Mohammad Abdul

    1958-01-01

    of organic matter, total nitrogen, cation exchange capacity, exchangeable sodium, potassium and magnesium, conductivity and pH were made from the samples of seven different crop- ping systems. These cropping systems were started in January of 1950... significant variation in concentration of exchangeable sodium with depth. Exchan sable Potassium The exchangeable potassium content of the plots under various cropping systems ranged from 0. 96 to 1. 22 m. e. /100 gms in the surface layer, from 0. 57 to 0...

  10. Formal Speci cation and Veri cation of a Data ow Processor Array y Thomas A. Henzinger Xiaojun Liu Shaz Qadeer Sriram K. Rajamani

    E-Print Network [OSTI]

    Henzinger, Thomas A.

    and veri cation of the VGI parallel DSP chip 1], which contains 64 compute processors with 30K gates tools. However, the check can be decomposed using assume-guarantee reasoning. For VGI the veri cation problem of the VGI chip into smaller proof obliga- tions that were discharged automatically

  11. The Structure of DNA within Cationic Lipid/DNA Complexes

    E-Print Network [OSTI]

    Braun, Chad S.; Jas, Gouri S.; Choosakoonriang, Sirirat; Koe, Gary S.; Smith, Janet G.; Middaugh, C. Russell

    2003-02-01

    hexagonal phase of cationic liposome-DNA complexes related to DNA release and delivery. Science. 281:78–81. Koppel, D. E. 1972. Analysis of macromolecular polydispersity in inten- sity correlation spectroscopy: the method of cumulants. J. Chem. Phys. 57:4814..., DOTAP, 1,2-dioleoyl-sn-glycero-3-phosphatidyletha- nolamine, and cholesterol were purchased from Avanti Polar Lipids (Alabaster, AL). Poly(dG) Æ poly(dC) (4 kbp), poly(dA) Æ poly(dT) (;229 bp), poly(dGdC) Æ poly(dGdC) (724 bp), and poly(dAdT) Æ poly(d...

  12. Spontaneous Superlattice Formation in Nanorods through PartialCation Exchange

    SciTech Connect (OSTI)

    Robinson, Richard D.; Sadtler, Bryce; Demchenko, Denis O.; Erdonmez, Can K.; Wang, Lin-Wang; Alivisatos, A. Paul

    2007-03-14

    Lattice mismatch strains are widely known to controlnanoscale pattern formation in heteroepitaxy, but such effects have notbeen exploited in colloidal nanocrystal growth. We demonstrate acolloidal route to synthesizing CdS-Ag2S nanorod superlattices throughpartial cation exchange. Strain induces the spontaneous formation ofperiodic structures. Ab initio calculations of the interfacial energy andmodeling of strain energies show that these forces drive theself-organization. The nanorod superlattices exhibit high stabilityagainst ripening and phase mixing. These materials are tunablenear-infrared emitters with potential applications as nanometer-scaleoptoelectronic devices.

  13. Nitrogen-doped zirconia: A comparison with cation stabilized zirconia

    SciTech Connect (OSTI)

    Lee, Jong-Sook . E-mail: jong-sook.lee@fkf.mpg.de; Lerch, Martin; Maier, Joachim

    2006-01-15

    The conductivity behavior of nitrogen-doped zirconia is compared with that of zirconia doped with lower-valent cations and discussed in the framework of defect-defect interactions. While nominally introducing the same number of vacancies as yttrium, nitrogen dopants introduced in the anion sublattice of zirconia lead to substantially different defect kinetics and energetics. Compared to the equivalent yttrium doping nitrogen doping in the Y-Zr-O-N system substantially increases the activation energy and correspondingly decreases the conductivity at temperatures below 500{sup -}bar C in the vacancy range below 4mol%. The comparison of N-doped zirconia and zirconia systems doped with size-matched cation stabilizers, such as Sc, Yb and Y, shows that elastically driven vacancy-vacancy ordering interactions can phenomenologically account for the temperature- and composition-dependence. It is striking that materials with superior high-temperature conductivities due to weak dopant-vacancy interactions undergo severe deterioration at low temperature due to the strong vacancy-ordering. The analysis also explains qualitatively similar effects of Y co-doping in Yb-, Sc-, and N-doped zirconia. Small amount of Y in N-doped zirconia as well as in Sc-doped zirconia appears to hinder the formation of the long-range ordered phase and thus enhance the conductivity substantially.

  14. Insights into dynamic processes of cations in pyrochlores and other complex oxides

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

    Uberuaga, Blas Pedro; Perriot, Romain

    2015-08-26

    Complex oxides are critical components of many key technologies, from solid oxide fuel cells and superionics to inert matrix fuels and nuclear waste forms. In many cases, understanding mass transport is important for predicting performance and, thus, extensive effort has been devoted to understanding mass transport in these materials. However, most work has focused on the behavior of oxygen while cation transport has received relatively little attention, even though cation diffusion is responsible for many phenomena, including sintering, radiation damage evolution, and deformation processes. Here, we use accelerated molecular dynamics simulations to examine the kinetics of cation defects in onemore »class of complex oxides, A?B?O? pyrochlore. In some pyrochlore chemistries, B cation defects are kinetically unstable, transforming to A cation defects and antisites at rates faster than they can diffuse. When this occurs, transport of B cations occurs through defect processes on the A sublattice. Further, these A cation defects, either interstitials or vacancies, can interact with antisite disorder, reordering the material locally, though this process is much more efficient for interstitials than vacancies. Whether this behavior occurs in a given pyrochlore depends on the A and B chemistry. Pyrochlores with a smaller ratio of cation radii exhibit this complex behavior, while those with larger ratios exhibit direct migration of B interstitials. Similar behavior has been reported in other complex oxides such as spinels and perovskites, suggesting that this coupling of transport between the A and B cation sublattices, while not universal, occurs in many complex oxide.« less

  15. Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations

    SciTech Connect (OSTI)

    Siu, Chi-Kit; Zhao, Junfang; Laskin, Julia; Chu, Ivan K.; Hopkinson, Alan C.; Siu , K W Michael

    2009-06-01

    Fragmentations of tautomers of the ?-centered radical triglycine radical cation, [GGG*]+, [GG*G]+, and [G*GG]+, are charge-driven, giving b-type ions; these are processes that are facilitated by a mobile proton, as in the fragmentation of protonated triglycine (Rodriquez, C.F. et al. J. Am. Chem. Soc. 2001, 123, 3006 - 3012). By contrast, radical centers are less mobile. Two mechanisms have been examined theoretically utilizing density functional theory and Rice-Ramsperger-Kassel-Marcus modeling: (1) a direct hydrogen-atom migration between two ?-carbons, and (2) a two-step proton migration involving a canonical [GGG]*+ as an intermediate. Predictions employing the latter mechanism are in good agreement with results of recent CID experiments (Chu, I.K. et al. J. Am. Chem. Soc. 2008, 130, 7862 - 7872).

  16. Tailoring actuation of ionic polymer-metal composites through cation combination

    E-Print Network [OSTI]

    Nemat-Nasser, Sia

    , the slow relaxation continues the initial fast motion towards the anode. In contrast, the actuation of both Nafion- and Flemion-based IPMCs in tetrabutylammonium (TBA+ ) cation form consists of a continuous slow+ cations to produce a suitable Na-TBA-form membrane, different actuation behavior results. The proportion

  17. Methane-to-Methanol Conversion by Gas-Phase Transition Metal Oxide Cations: Experiment and Theory

    E-Print Network [OSTI]

    Metz, Ricardo B.

    Methane-to-Methanol Conversion by Gas-Phase Transition Metal Oxide Cations: Experiment and Theory-phase transition metal oxide cations can convert methane to methanol. Methane activation by MO+ is discussed reaction are also presented. Introduction The direct oxidation of methane to an easily transportable liquid

  18. Uptake, Translocation, and Transformation of Quantum Dots with Cationic versus Anionic Coatings by Populus deltoides nigra

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    Uptake, Translocation, and Transformation of Quantum Dots with Cationic versus Anionic Coatings Supporting Information ABSTRACT: Manipulation of the organic coatings of nano- particles such as quantum dotsSe/CdZnS QDs coated with cationic polyethylenimine (PEI) (35.3 ± 6.6 nm) or poly(ethylene glycol) of anionic

  19. Monovalent Cations Sequester within the A-Tract Minor Groove of [d(CGCGAATTCGCG)]2

    E-Print Network [OSTI]

    Williams, Loren

    bending in solution is cation dependent18,22-25 and that A-tracts are bent in solution26 but not in crystals,27 where intermolecular interactions would wash out intramolecular effects. An alternative-centric models requires determining positions of the cations that surround nucleic acid structures in crystals

  20. Excitation mapping with the organic cation AGB2+ Robert E. Marc a,*, Michael Kalloniatis b

    E-Print Network [OSTI]

    Marc, Robert E.

    Excitation mapping with the organic cation AGB2+ Robert E. Marc a,*, Michael Kalloniatis b , Bryan.07.025 * Corresponding author. Tel.: +1 801 585 6500; fax: +1 801 581 3357. E-mail address: robert.marc@hsc.utah.edu (R.E. Marc). www.elsevier.com/locate/visres Vision Research 45 (2005) 3454­3468 #12;· Many key cation

  1. Re ning Abstract Machine Speci cations of the Steam Boiler Control to Well Documented

    E-Print Network [OSTI]

    Börger, Egon

    Re ning Abstract Machine Speci cations of the Steam Boiler Control to Well Documented Executable the steam boiler control speci cation problem to il- lustrate how the evolving algebra approach to the speci, in June 1995, to control the Karlsruhe steam boiler simulator satisfactorily. The abstract machines

  2. Influence of rubidium cations on hydrogen and deuterium electrosorption in palladium

    SciTech Connect (OSTI)

    Czerwinski, A.; Frydrych, J.; Kiersztyn, I.

    1996-11-01

    A comparative cyclic voltammetric study of the hydrogen and deuterium sorptions into a thin layer palladium electrode has been performed in acidic and basic solutions containing rubidium cations. As in the case of other alkali cations, rubidium appears to clearly influence the {alpha}- to {beta}- phase transition only in basic solution.

  3. Method of separating and recovering uranium and related cations from spent Purex-type systems

    DOE Patents [OSTI]

    Mailen, J.C.; Tallent, O.K.

    1987-02-25

    A process for separating uranium and related cations from a spent Purex-type solvent extraction system which contains degradation complexes of tributylphosphate wherein the system is subjected to an ion-exchange process prior to a sodium carbonate scrubbing step. A further embodiment comprises recovery of the separated uranium and related cations. 5 figs.

  4. Charge localization and JahnTeller distortions in the benzene dimer cation Piotr A. Pieniazek, Stephen E. Bradforth,a

    E-Print Network [OSTI]

    Krylov, Anna I.

    Charge localization and Jahn­Teller distortions in the benzene dimer cation Piotr A. Pieniazek August 2008 Jahn­Teller JT distortions and charge localization in the benzene dimer cation are analyzed.1063/1.2969107 I. INTRODUCTION The benzene dimer cation is an important model system for radiation

  5. Ionic Liquids with Ammonium Cations as Lubricants or Additives

    SciTech Connect (OSTI)

    Qu, Jun; Blau, Peter Julian; Dai, Sheng; Luo, Huimin; Truhan, Jr., John J

    2006-01-01

    Friction and wear are estimated to cost 6% of the US gross national product, or around $700 billion annually. A new class of more effective lubricants could lead to huge energy savings. Limited recent literature has suggested potential for using room-temperature ionic liquids as lubricants, however only a few out of millions (or more) of species have been evaluated. Recent ORNL work discovered a new category of ionic liquids with ammonium cations that have demonstrated promising lubricating properties as net lubricants or lubricant additives, particularly in lubricating difficult-to-lubricate metals like aluminum. More than 30% friction reduction has been observed on ammonium-based ionic liquids compared to conventional hydrocarbon oils. The inherent polarity of ionic liquids is believed to provide strong adhesion to contact surfaces and form a boundary lubricating film leading to friction and wear reductions. Other advantages of ionic liquids include (1) negligible volatility, (2) high thermal stability, (3) non-flammability, and (4) better intrinsic properties that eliminate the necessity of many expensive lubricant additives. With very flexible molecular structures, this new class of lubricants, particularly ammonium-based ionic liquids, can be tailored to fit a big variety of applications including but not limited to bearings, combustion engines, MEMS, and metal forming.

  6. Organic cation secretion by Cancer borealis urinary bladder

    SciTech Connect (OSTI)

    Miller, D.S.; Holliday, C.W.

    1987-01-01

    In the crab, Cancer borealis, initial clearance studies showed a potent renal excretory system for the model organic cation, tetraethylammonium (TEA). (/sup 14/C)-TEA clearance averaged 145 +/- 32 ml/day, which was 18 times the paired polyethylene glycol clearance. TEA uptake by slices of urinary bladder was concentrative, saturable, inhibitable by N/sup 1/-methylnicotinamide chloride, and dependent on glycolytic, but not oxidative, metabolism. When mounted in flux chambers, bladders exhibited a large net secretory flux. For 0.1 mM TEA, the ratio of secretory to reabsorptive fluxes was 65. Urinary bladders from another crab, Cancer irroratus, and a lobster, Homarus americanus, also exhibited net TEA secretion. In C. borealis bladder, secretory transport was concentrative, saturable, and nearly abolished by addition of 1 mM quinine to the serosol bath. Reabsorptive transport was not concentrative and was not reduced by luminal quinine. The data are consistent with a secretory pathway that is transcellular and mediated by carriers at both the serosal and luminal membranes.

  7. The temperature dependence of diffusion for several electroactive cations in nafion films at electrode surfaces 

    E-Print Network [OSTI]

    Dollard, Kathleen

    1984-01-01

    . The rate of charge transport assoc ated with redox reactions of these cations has been determined by chronocoulometry and described in terms of the apparent diffusion coefficient. The apparent diffusion coefficients for the oxidized and reduced forms... of seven cations at 25' C were determined. Compari- n+ son of the apparent diffusion coefficient for the oxidized (D ) app (n-1)+ and reduced (D ) form app D /D n' (n-l)+ can be used app app transport. of each cation shows that the ratio to indicate...

  8. Identi cation Tasking and Networking (ITN) Model For The FBI's Integrated Automated

    E-Print Network [OSTI]

    Murphy, John

    Identi cation Tasking and Networking (ITN) Model For The FBI's Integrated Automated Fingerprint September 29, 1994 Abstract This document describes the model developed for the ITN/FBI using the SES

  9. Impact of cationic host defence peptide LL-37 on human neutrophil death and inflammatory responses 

    E-Print Network [OSTI]

    Li, Hsin-Ni

    2011-07-05

    Cathelicidins are cationic host defence peptides (CHDP) with essential roles in the innate defence system. These peptides have antimicrobial potential and the capacity to modulate innate immunity and inflammatory processes. ...

  10. The effect of trivalent cations on the major lower mantle silicates

    E-Print Network [OSTI]

    Catalli, Krystle Carina

    2011-01-01

    I have investigated the effect of composition, especially ferric iron and aluminum, on the equations of state and phase stability of perovskite and post-perovskite. The presence of trivalent cations decreases the bulk ...

  11. Water-Soluble Cationic Conjugated Polymers: Response to Electron-Rich Bioanalytes

    E-Print Network [OSTI]

    Rochat, Sebastien

    We report the concise synthesis of a symmetrical monomer that provides a head-to-head pyridine building block for the preparation of cationic conjugated polymers. The obtained poly(pyridinium-phenylene) polymers display ...

  12. Factors Affecting the Fragmentation of Peptide Ions: Metal Cationization and Fragmentation Timescale 

    E-Print Network [OSTI]

    Kmiec, Kevin

    2012-10-19

    The factors affecting peptide fragmentation have been extensively studied in the literature in order to better predict the fragment ion spectra of peptides and proteins. While there are countless influences to consider, metal cation binding...

  13. Phase behavior and microstructures in a mixture of anionic Gemini and cationic surfactants

    E-Print Network [OSTI]

    Huang, Jianbin

    environmental factors (such as concentration, composition, temperature, salt etc.) and varying the surfactant molecular structures, which effects the formation and transformation of the surfactant assemblies.19Phase behavior and microstructures in a mixture of anionic Gemini and cationic surfactants Haiming

  14. On the Quanti cation of Relevant Information Daniel Polani, Thomas Martinetz and Jan Kim

    E-Print Network [OSTI]

    Polani, Daniel

    On the Quanti#12;cation of Relevant Information Daniel Polani, Thomas Martinetz and Jan Kim by explicit sensor quality measures (Nilsson and Pelger 1994), but often the task is implicitly formulated

  15. Journal of Knot Theory and Its Rami cations World Scienti c Publishing Company

    E-Print Network [OSTI]

    Journal of Knot Theory and Its Rami#12;cations c World Scienti#12;c Publishing Company SEIFERT any family of mutually disjoint surfaces (not necessarily essential) in their boundaries (e.g. see #12

  16. Colloid Facilitated Transport of Radioactive Cations in the Vadose Zone: Field Experiments Oak Ridge

    SciTech Connect (OSTI)

    James E. Saiers

    2012-09-20

    The overarching goal of this study was to improve understanding of colloid-facilitated transport of radioactive cations through unsaturated soils and sediments. We conducted a suite of laboratory experiments and field experiments on the vadose-zone transport of colloids, organic matter, and associated contaminants of interest to the U.S. Department of Energy (DOE). The laboratory and field experiments, together with transport modeling, were designed to accomplish the following detailed objectives: 1. Evaluation of the relative importance of inorganic colloids and organic matter to the facilitation of radioactive cation transport in the vadose zone; 2. Assessment of the role of adsorption and desorption kinetics in the facilitated transport of radioactive cations in the vadose zone; 3. Examination of the effects of rainfall and infiltration dynamics and in the facilitated transport of radioactive cations through the vadose zone; 4. Exploration of the role of soil heterogeneity and preferential flow paths (e.g., macropores) on the facilitated transport of radioactive cations in the vadose zone; 5. Development of a mathematical model of facilitated transport of contaminants in the vadose zone that accurately incorporates pore-scale and column-scale processes with the practicality of predicting transport with readily available parameters.

  17. Effect of cation ordering on oxygen vacancy diffusion pathways in double perovskites

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

    Uberuaga, Blas Pedro; Pilania, Ghanshyam

    2015-07-08

    Perovskite structured oxides (ABO3) are attractive for a number of technological applications, including as superionics because of the high oxygen conductivities they exhibit. Double perovskites (AA’BB’O6) provide even more flexibility for tailoring properties. Using accelerated molecular dynamics, we examine the role of cation ordering on oxygen vacancy mobility in one model double perovskite SrLaTiAlO6. We find that the mobility of the vacancy is very sensitive to the cation ordering, with a migration energy that varies from 0.6 to 2.7 eV. In the extreme cases, the mobility is both higher and lower than either of the two end member single perovskites.more »Further, the nature of oxygen vacancy diffusion, whether one-dimensional, two-dimensional, or three-dimensional, also varies with cation ordering. We correlate the dependence of oxygen mobility on cation structure to the distribution of Ti4+ cations, which provide unfavorable environments for the positively charged oxygen vacancy. The results demonstrate the potential of using tailored double perovskite structures to precisely control the behavior of oxygen vacancies in these materials.« less

  18. Understanding the impact of the central atom on the ionic liquid behavior: Phosphonium vs ammonium cations

    SciTech Connect (OSTI)

    Carvalho, Pedro J.; Ventura, Sónia P. M.; Batista, Marta L. S.; Schröder, Bernd; Coutinho, João A. P., E-mail: jcoutinho@ua.pt [CICECO, Departamento de Química, Universidade de Aveiro, 3810-193 Aveiro (Portugal)] [CICECO, Departamento de Química, Universidade de Aveiro, 3810-193 Aveiro (Portugal); Gonçalves, Fernando [Departamento de Biologia e CESAM (Centro de Estudos do Ambiente e do Mar), Universidade de Aveiro, 3810-193 Aveiro (Portugal)] [Departamento de Biologia e CESAM (Centro de Estudos do Ambiente e do Mar), Universidade de Aveiro, 3810-193 Aveiro (Portugal); Esperança, José [Instituto de Tecnologia Química e Biológica, Universidade Nova de Lisboa, 2780-901 Oeiras (Portugal)] [Instituto de Tecnologia Química e Biológica, Universidade Nova de Lisboa, 2780-901 Oeiras (Portugal); Mutelet, Fabrice [Laboratoire Réactions et Génie des Procédés, CNRS (UPR3349), Nancy-Université, 1 rue Grandville, BP 20451 54001 Nancy (France)] [Laboratoire Réactions et Génie des Procédés, CNRS (UPR3349), Nancy-Université, 1 rue Grandville, BP 20451 54001 Nancy (France)

    2014-02-14

    The influence of the cation's central atom in the behavior of pairs of ammonium- and phosphonium-based ionic liquids was investigated through the measurement of densities, viscosities, melting temperatures, activity coefficients at infinite dilution, refractive indices, and toxicity against Vibrio fischeri. All the properties investigated are affected by the cation's central atom nature, with ammonium-based ionic liquids presenting higher densities, viscosities, melting temperatures, and enthalpies. Activity coefficients at infinite dilution show the ammonium-based ionic liquids to present slightly higher infinite dilution activity coefficients for non-polar solvents, becoming slightly lower for polar solvents, suggesting that the ammonium-based ionic liquids present somewhat higher polarities. In good agreement these compounds present lower toxicities than the phosphonium congeners. To explain this behavior quantum chemical gas phase DFT calculations were performed on isolated ion pairs at the BP-TZVP level of theory. Electronic density results were used to derive electrostatic potentials of the identified minimum conformers. Electrostatic potential-derived CHelpG and Natural Population Analysis charges show the P atom of the tetraalkylphosphonium-based ionic liquids cation to be more positively charged than the N atom in the tetraalkylammonium-based analogous IL cation, and a noticeable charge delocalization occurring in the tetraalkylammonium cation, when compared with the respective phosphonium congener. It is argued that this charge delocalization is responsible for the enhanced polarity observed on the ammonium based ionic liquids explaining the changes in the thermophysical properties observed.

  19. Properties of some ionic liquids based on1-methyl-3-octylimidazolium and 4-methyl-N-butylpyridinium cations.

    SciTech Connect (OSTI)

    Papaiconomou, Nicolas; Yakelis, Neal; Salminen, Justin; Bergman,Robert; Prausnitz, John M.

    2005-09-29

    Syntheses are reported for ionic liquids containing 1-methyl-3octylimidazolium and 4-methyl-N-butylpyridinium cations, and trifluoromethansulfonate, dicyanamide, bis(trifluoromethylsulfonyl)imide, and nonafluorobutanesulfonate anions. Densities, melting points and glass transition points, solubility in water as well as polarities have been measured. Ionic liquids based on pyridinium cations exhibit higher melting points, lower solubility in water, and higher polarity than those based on imidazolium cations.

  20. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds

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

    Kim, M. J.; Zoerb, M. C.; Campbell, N. R.; Zimmermann, K. J.; Blomquist, B. W.; Huebert, B. J.; Bertram, T. H.

    2015-10-01

    Benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e. DMS, ?-caryophyllene) as well as previously studied VOCs (i.e., isoprene, ?-pinene). Using a field deployable chemical ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt?1) to DMS, isoprene, and ?-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a weaker electric field, demonstrated that ion-molecule reactions likely proceed through amore »combination of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (R2=0.80) over a wide range of sampling conditions.« less

  1. Differential inhibition of organic cations by the renal tubule of the chicken: relationship to Tm

    SciTech Connect (OSTI)

    Springate, J.; Hasan, M.; Rennick, B.; Acara, M.

    1986-03-01

    The ability of organic cations to differentially inhibit the renal excretion of two prototypical organic cations, tetraethylammonium (TEA) and N/sup 1/-methylnicotinamide (NMN), was investigated using the Sperber technique in chickens. /sup 3/H-TEA and /sup 14/C-NMN were infused simultaneously into the renal portal circulation and their transport efficiencies (TE) determined to be 106 +/- 11% and 81 +/- 13% respectively. Quinine, unlabelled NMN or TEA, added in increasing amounts, produced differential inhibition of TEA, NMN, or cimetidine (infused in separate experiments). Data using other competing organic cations (guinidine, ranitidine, triethylcholine) indicated that TEA was never more susceptible to inhibition than NMN. These results suggest that the magnitude of T/sub m/ is directly related to susceptibility to inhibition and indirectly to inhibitory potency.

  2. Preferential solvation of lithium cations and impacts on oxygen reduction in lithium–air batteries

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

    Zheng, Dong; Qu, Deyu; Yang, Xiao -Qing; Lee, Hung -Sui; Qu, Deyang

    2015-09-16

    The solvation of Li? with eleven non-aqueous solvents commonly used as the electrolytes for Li batteries were studied. The solvation preferences of different solvents were compared by means of electrospray mass spectrometry and collision-induced dissociation. The relative strength of the solvent for the solvation of Li? was determined. The Lewis acidity of the solvated Li? cations was determined by the preferential solvation of the solvent in the solvation shell. The kinetics of the catalytic disproportionation of the O?? depends on the relative Lewis acidity of the solvated Li? ion. The impact of the solvated Li? cation on the O? redoxmore »reaction was also investigated.« less

  3. Investigation of gamma induced degradation of Amberlite 200 cation resin by mass spectrometer and liquid chromatograph 

    E-Print Network [OSTI]

    Freitag, Albert Antonio

    1977-01-01

    the liquid chromatograph setup. After the irradiations, the Cation Exchange Capacity (CEC), Salt-splitting Cation Capacity (SSCC) and solids content (both CEC and SSCC) of the control and irradiated resins were measured by the 6 following procedures. ~cd...' ' ' ? B f r t ~ t d h* i conditioned with the appropriate regenerant (4/ HC1 for CEC and 10E NaC1 for SSCC). The resin was partitioned into two columns, one for CEC and the other for SSCC. Ten bed volumes of the appropriate regenerant was passed...

  4. DFT studies of all fluorothiophenes and their cations as candidate monomers for conductive polymers

    SciTech Connect (OSTI)

    Shirani, Hossein; Jameh-Bozorghi, Saeed; Yousefi, Ali

    2015-01-22

    In this paper, electronic, structural, and properties of mono-, di-, tri-, and tetrafluorothiophenes and their radical cations are studied using the density functional theory and B3LYP method with 6-311++G** basis set. Also, the effects of the number and position of the substituent of fluorine atoms on the properties of the thiophene ring have been studied using optimized structures obtained for these molecules and their radical cations; vibrational frequencies, spin-density distribution, size and direction of the dipole moment vector, ionization potential, electric Polarizabilities, HOMO–LUMO gaps and NICS values of these compounds have been calculated and analyzed.

  5. Non-immunogenic, hydrophilic/cationic block copolymers and uses thereof

    DOE Patents [OSTI]

    Scales, Charles W.; Huang, Faqing; McCormick, Charles L.

    2010-05-18

    The present invention provides novel non-immunogenic, hydrophilic/cationic block copolymers comprising a neutral-hydrophilic polymer and a cationic polymer, wherein both polymers have well-defined chain-end functionality. A representative example of such a block copolymer comprises poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) and poly(N-[3-(dimethylamino)propyl]methacrylamide) (PDMAPMA). Also provided is a synthesis method thereof in aqueous media via reversible addition fragmentation chain transfer (RAFT) polymerization. Further provided are uses of these block copolymers as drug delivery vehicles and protection agents.

  6. ADVANCES IN HYDROGEOCHEMICAL INDICATORS FOR THE DISCOVERY OF NEW GEOTHERMAL RESOURCES IN THE GREAT BASIN, USA

    SciTech Connect (OSTI)

    Simmons, Stuart F; Spycher, Nicolas; Sonnenthal, Eric; Dobson, Patrick

    2013-05-20

    This report summarizes the results of Phase I work for a go/no go decision on Phase II funding. In the first objective, we assessed the extent to which fluid-mineral equilibria controlled deep water compositions in geothermal systems across the Great Basin. Six systems were evaluated: Beowawe; Desert Peak; Dixie Valley; Mammoth; Raft River; Roosevelt. These represent a geographic spread of geothermal resources, in different geological settings and with a wide range of fluid compositions. The results were used for calibration/reformulation of chemical geothermometers that reflect the reservoir temperatures in producing reservoirs. In the second objective, we developed a reactive -transport model of the Desert Peak hydrothermal system to evaluate the processes that affect reservoir fluid geochemistry and its effect on solute geothermometry. This included testing geothermometry on “reacted” thermal water originating from different lithologies and from near-surface locations where the temperature is known from the simulation. The integrated multi-component geothermometer (GeoT, relying on computed mineral saturation indices) was tested against the model results and also on the systems studied in the first objective.

  7. Cationic fluorinated polymer binders for microbial fuel cell cathodes{ Guang Chen,ab

    E-Print Network [OSTI]

    or carbons) in the cathode is held in contact with the current collector using a polymer binder.12Cationic fluorinated polymer binders for microbial fuel cell cathodes{ Guang Chen,ab Bin Wei.1039/c2ra20705b Fluorinated quaternary ammonium-containing polymers were used as catalyst binders

  8. Syntheses and DNA binding of new cationic porphyrintetrapeptide conjugates Gbor Mez a

    E-Print Network [OSTI]

    Langowski, Jörg

    shifts and hypochromicities. Decomposition of absorption spectra suggested the formation of two of di- and tricationic porphyrins bind to DNA by two distinct binding modes which can be identi ed agents [6,7]. The binding of cationic porphyrin derivatives to nucleic acids has been the subject

  9. High energy electron beam curing of epoxy resin systems incorporating cationic photoinitiators

    DOE Patents [OSTI]

    Janke, Christopher J. (Powell, TN); Lopata, Vincent J. (Manitoba, CA); Havens, Stephen J. (Knoxville, TN); Dorsey, George F. (Farragut, TN); Moulton, Richard J. (Lafayette, CA)

    1999-01-01

    A mixture of epoxy resins such as a semi-solid triglycidyl ether of tris (hydroxyphenyl) methane and a low viscosity bisphenol A glycidyl ether and a cationic photoinitiator such as a diaryliodonium salt is cured by irradiating with a dosage of electron beams from about 50 to about 150 kGy, forming a cross-linked epoxy resin polymer.

  10. Atmospheric deposition of inorganic and organic nitrogen and base cations in Hawaii

    E-Print Network [OSTI]

    Sigman, Daniel M.

    Atmospheric deposition of inorganic and organic nitrogen and base cations in Hawaii Jacqueline H. Carrillo1 Department of Oceanography, University of Hawaii, Honolulu, Hawaii, USA Meredith Galanter Jersey, USA Barry J. Huebert Department of Oceanography, University of Hawaii, Honolulu, Hawaii, USA

  11. Salt Effect on Microstructures in Cationic Gemini Surfactant Solutions as Studied by Dynamic Light Scattering

    E-Print Network [OSTI]

    Huang, Jianbin

    Salt Effect on Microstructures in Cationic Gemini Surfactant Solutions as Studied by Dynamic Light, C12C12C12(Et) underwent a typical "ordinary-to-extraordinary (o-e) transition" with decreasing salt concentration to zero. At higher salt concentration, a single relaxation mode, corresponding to the diffusion

  12. Misfit strain driven cation inter-diffusion across an epitaxial multiferroic thin film interface

    SciTech Connect (OSTI)

    Sankara Rama Krishnan, P. S.; Munroe, Paul; Nagarajan, V.; Morozovska, Anna N.; Eliseev, Eugene A.; Ramasse, Quentin M.; Kepaptsoglou, Demie; Liang, Wen-I.; Chu, Ying-Hao

    2014-02-07

    Cation intermixing at functional oxide interfaces remains a highly controversial area directly relevant to interface-driven nanoelectronic device properties. Here, we systematically explore the cation intermixing in epitaxial (001) oriented multiferroic bismuth ferrite (BFO) grown on a (001) lanthanum aluminate (LAO) substrate. Aberration corrected dedicated scanning transmission electron microscopy and electron energy loss spectroscopy reveal that the interface is not chemically sharp, but with an intermixing of ?2?nm. The driving force for this process is identified as misfit-driven elastic strain. Landau-Ginzburg-Devonshire-based phenomenological theory was combined with the Sheldon and Shenoy formula in order to understand the influence of boundary conditions and depolarizing fields arising from misfit strain between the LAO substrate and BFO film. The theory predicts the presence of a strong potential gradient at the interface, which decays on moving into the bulk of the film. This potential gradient is significant enough to drive the cation migration across the interface, thereby mitigating the misfit strain. Our results offer new insights on how chemical roughening at oxide interfaces can be effective in stabilizing the structural integrity of the interface without the need for misfit dislocations. These findings offer a general formalism for understanding cation intermixing at highly strained oxide interfaces that are used in nanoelectronic devices.

  13. Solidi cation of a high-Reynolds-number ow in laser percussion drilling

    E-Print Network [OSTI]

    Eindhoven, Technische Universiteit

    Solidi#12;cation of a high-Reynolds-number ow in laser percussion drilling W. R. Smith y and R. M laser percussion drilling. 1 Introduction Laser percussion drilling is used to machine gas turbine with conventional mechanical drills. The term percussion refers to the repeated operation of the laser in short

  14. Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum chemistry study using

    E-Print Network [OSTI]

    Sussman, Joel L.

    Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum earth metal ion±benzene complexes were performed using the density-functional theory (DFT) B3LYP and ab of the al- kaline earth metal ions to benzene may be attributed to s±p and p±p interactions, which are signi

  15. Discovery of benzene cation in a very long-lived excited electronic state Myung Soo Kima)

    E-Print Network [OSTI]

    Kim, Myung Soo

    Discovery of benzene cation in a very long-lived excited electronic state Myung Soo Kima) and Chan, University of Suwon, Suwon 440-600, Korea Received 19 May 2000; accepted 8 September 2000 Presence of benzene chemistry. © 2000 American Institute of Physics. S0021-9606 00 01745-1 I. INTRODUCTION The benzene molecular

  16. UVA-visible photo-excitation of guanine radical cations produces sugar radicals in DNA and

    E-Print Network [OSTI]

    Simons, Jack

    UVA-visible photo-excitation of guanine radical cations produces sugar radicals in DNA and model, 2005; Revised and Accepted September 6, 2005 ABSTRACT This work presents evidence that photo- nucleosides and deoxyribonucleotides. In dsDNA at low temperatures, formation of C10 is observed from photo

  17. How Cations Can Assist DNase I in DNA Binding and Marc Gueroult1,2

    E-Print Network [OSTI]

    How Cations Can Assist DNase I in DNA Binding and Hydrolysis Marc Gue´roult1,2 , Daniel Picot3 , Jose´phine Abi-Ghanem2 , Brigitte Hartmann2 *, Marc Baaden1 * 1 CNRS UPR 9080, Institut de Biologie: Marc Baaden thanks the French National Research Agency for funding (Grants ANR-06-PCVI-0025 and ANR-07

  18. Field-induced cation migration in Cu oxide films by in situ scanning tunneling microscopy

    E-Print Network [OSTI]

    Wang, Gwo-Ching

    into the oxide, and Al cations in the oxide layer rapidly diffused away.14 Field-induced ion migration substrate was cleaned by the RCA method and a thin oxide layer was grown on the Si surface. The Cu film. The formation of an oxide layer on Cu thin film was examined by x-ray photoelectron spectroscopy XPS in another

  19. CHAPTER 6 NOAA EDuCATION NOAA's educAtiON missiON

    E-Print Network [OSTI]

    Watershed Education and Training (B-WET) Program Environmental Literacy Grants Hollings Scholarship OED at Sea Program National Weather Service (NWS) NWS Education National Environmental Satellite, Data6-155 CHAPTER 6 NOAA EDuCATION NOAA's educAtiON missiON The America COMPETES Reauthorization Act

  20. CertifiCAtion of performAnCe indiCAtors ........ 110 Curtin's institutionAl

    E-Print Network [OSTI]

    Mucina, Ladislav

    and performance enhance capacity and financial sustainability l total Research income ($) Ranking Strengthen research capability and performance enhance capacity and financial sustainability m CooperaCertifiCAtion of performAnCe indiCAtors ........ 110 Curtin's institutionAl performAnCe indi

  1. Models for solidi cation and splashing in laser percussion W. R. Smith

    E-Print Network [OSTI]

    Eindhoven, Technische Universiteit

    with conventional mechanical drills. The term percussion refers to the repeated operation of the laser in shortModels for solidi#12;cation and splashing in laser percussion drilling W. R. Smith Department percussion drilling. The particular phenomenon considered in detail is the ejection of the thin layer

  2. High energy electron beam curing of epoxy resin systems incorporating cationic photoinitiators

    DOE Patents [OSTI]

    Janke, C.J.; Lopata, V.J.; Havens, S.J.; Dorsey, G.F.; Moulton, R.J.

    1999-03-02

    A mixture of epoxy resins such as a semi-solid triglycidyl ether of tris (hydroxyphenyl) methane and a low viscosity bisphenol A glycidyl ether and a cationic photoinitiator such as a diaryliodonium salt is cured by irradiating with a dosage of electron beams from about 50 to about 150 kGy, forming a cross-linked epoxy resin polymer.

  3. A Surface Precipitation Model for the Sorption of Cations on Metal Oxides

    E-Print Network [OSTI]

    Morel, François M. M.

    be describedby the formation of a solid solution whose composition varies continuously between sorbents of cations in natural waters (1, 2) and in water treatment processes (3). For this reason, much of a continuum between monolayer gas adsorption and ultimate condensation of the gas. In this paper, a new

  4. Cloud-Point Phenomena in Wormlike Micellar Systems Containing Cationic Surfactant and Salt

    E-Print Network [OSTI]

    Raghavan, Srinivasa

    unusual phase behavior in aqueous solution as a function of temperature and added salt concentration. Low and the zero-shear viscosity 0 pass in parallel through minima as a function of NaTos concentration. Cloud M NaSal. High concentrations of salt can also cause cationic surfactant solutions to separate

  5. Highly Viscoelastic Wormlike Micellar Solutions Formed by Cationic Surfactants with Long Unsaturated Tails

    E-Print Network [OSTI]

    Raghavan, Srinivasa

    (andhence,theirlengthandflexibility)responds to changes in surfactant and salt concentration, nature of counterion, and temperature. Theory rheological master curves through time-temperature super- position.9-12 Temperature effects on wormlikeHighly Viscoelastic Wormlike Micellar Solutions Formed by Cationic Surfactants with Long

  6. Biomaterials 27 (2006) 22922301 Highly effective and slow-biodegradable network-type cationic gene

    E-Print Network [OSTI]

    Park, Jong-Sang

    2006-01-01

    Biomaterials 27 (2006) 2292­2301 Highly effective and slow-biodegradable network-type cationic gene ARTICLE IN PRESS www.elsevier.com/locate/biomaterials 0142-9612/$ - see front matter r 2005 Elsevier Ltd. All rights reserved. doi:10.1016/j.biomaterials.2005.10.023 ÃCorresponding author. Tel.: +82 2 880

  7. The Study of the + 60C Cation in a Supersonic Slit Jet

    E-Print Network [OSTI]

    Oka, Takeshi

    The Study of the + 60C Cation in a Supersonic Slit Jet Using Cavity Ring Down Spectroscopy of C + 60 by cavity ring down spectroscopy (CRDS) in a supersonic slit jet using a continuous wave Ti:Sapphire laser. The slit jet has been assembled and operated for short periods but not experimentally used.7

  8. Effects of Cesium Cations in Lithium Deposition via Self-Healing Electrostatic Shield Mechanism

    SciTech Connect (OSTI)

    Ding, Fei; Xu, Wu; Chen, Xilin; Zhang, Jian; Shao, Yuyan; Engelhard, Mark H.; Zhang, Yaohui; Blake, Thomas A.; Graff, Gordon L.; Liu, Xingjiang; Zhang, Jiguang

    2014-02-27

    Lithium (Li) dendrite formation is one of the critical challenges for rechargeable Li metal batteries. The traditional method to suppress Li dendrites by using high-quality solid electrolyte interface (SEI) films cannot effectively solve this problem. Recently, we proposed a novel self-healing electrostatic shield (SHES) mechanism to change the Li deposition behavior. The SHES mechanism forces Li to be deposited in the region away from protuberant tips by using non-Li cations as additives that preferentially accumulate but not deposit on the active sites of Li electrode. In this paper, the electrochemical behavior of cesium cation (Cs+) as the typical non-Li cation suitable for the SHES mechanism was further investigated in detail to reveal its effects on preventing Li dendrites and interactions with Li electrode. It is found that typical adsorption behavior instead of chemical reaction is observed. The existence of Cs+ cation in the electrolyte does not change the components and structure of the Li surface film and this is consistent with the projection of the SHES mechanism. Various factors affecting the effectiveness of SHES mechanism are also discussed. The morphologies of Li films deposited is smooth and uniform during the repeated deposition-stripping cycles and at various current densities (from 0.1 to 1.0 mA cm-2) by adding just a small amount (0.05 M) of Cs+-additive in the electrolyte.

  9. EXCHANGE FUNCTIONS Exchange Functions is a speci cation mechanism for designing and a model for

    E-Print Network [OSTI]

    Filman, Robert E.

    to monitor and control a manufacturing process is an embedded system. 74 #12;exchange functions 75 exampleCHAPTER SEVEN EXCHANGE FUNCTIONS Exchange Functions is a speci cation mechanism for designing and a model for describing distributed and embedded systems.* Exchange Functions assumes ex- plicit processes

  10. COACH -Cumulative Online Algorithm for Classi cation of Handwriting De ciencies

    E-Print Network [OSTI]

    Kraus, Sarit

    causing expensive and subjective evaluation. This ap- plication lowers the cost of evaluation, increases in an innovative fashion. Until now handwriting classi cation has been performed manually by trained ther- apists and therefore is usually only performed once for di- agnosis. An application that provides diagnosis would lower

  11. Derived equivalence classi cation of weakly symmetric algebras of Euclidean type

    E-Print Network [OSTI]

    Holm, Thorsten

    is isomorphic to its top P= rad P . The classical examples of sel#12;njective algebras (respectively, symmetricDerived equivalence classi#12;cation of weakly symmetric algebras of Euclidean type Rafa l Bocian Copernicus University, Chopina 12/18, 87-100 Toru#19;n, Poland b Institut fur Algebra und Geometrie, Fakult

  12. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

    SciTech Connect (OSTI)

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutron reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.

  13. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

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

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutronmore »reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.« less

  14. Geochemistry And Geothermometry Of Spring Water From The Blackfoot...

    Open Energy Info (EERE)

    high-angle normal faults of Tertiary to Holocene age appear to be the dominant structural control of spring activity. Surface spring-water temperatures average 14C except for a...

  15. Geothermometry At Roosevelt Hot Springs Geothermal Area (Ward...

    Open Energy Info (EERE)

    Area. References S. H. Ward, W. T. Parry, W. P. Nash, W. R. Sill, K. L. Cook, R. B. Smith, D. S. Chapman, F. H. Brown, J. A. Whelan, J. R. Bowman (1978) A Summary of the...

  16. Geothermometry At Long Valley Caldera Geothermal Area (Sorey...

    Open Energy Info (EERE)

    studies, and seem to prove useful in most cases (Flexser, 1991; Goff et al., 1991; Smith and Suemnicht, 1991). Results from these studies are also summarized in Sorey et al....

  17. Geothermometry At Long Valley Caldera Geothermal Area (Farrar...

    Open Energy Info (EERE)

    stages of hydrothermal activity, flow, and recharge in the Long Valley caldera groundwater system. Fluids were sampled from LVEW during flow testing in May 2000, July 2000,...

  18. Geothermal Reservoir Temperatures in Southeastern Idaho using Multicomponent Geothermometry

    SciTech Connect (OSTI)

    Neupane, Ghanashyam; Mattson, Earl D.; McLing, Travis L.; Palmer, Carl D.; Smith, Robert W.; Wood, Thomas R.; Podgorney, Robert K.

    2015-03-01

    Southeastern Idaho exhibits numerous warm springs, warm water from shallow wells, and hot water within oil and gas test wells that indicate a potential for geothermal development in the area. Although the area exhibits several thermal expressions, the measured geothermal gradients vary substantially (19 – 61 ºC/km) within this area, potentially suggesting a redistribution of heat in the overlying ground water from deeper geothermal reservoirs. We have estimated reservoir temperatures from measured water compositions using an inverse modeling technique (Reservoir Temperature Estimator, RTEst) that calculates the temperature at which multiple minerals are simultaneously at equilibrium while explicitly accounting for the possible loss of volatile constituents (e.g., CO2), boiling and/or water mixing. Compositions of a selected group of thermal waters representing southeastern Idaho hot/warm springs and wells were used for the development of temperature estimates. The temperature estimates in the the region varied from moderately warm (59 ºC) to over 175 ºC. Specifically, hot springs near Preston, Idaho resulted in the highest temperature estimates in the region.

  19. Geothermometry At Long Valley Caldera Geothermal Area (McKenzie...

    Open Energy Info (EERE)

    resin. The resin was treated with 100 mL of 0.5 M sodium chloride in order to remove barium sulfate, which was precipitated by standard gravimetric methods, dried, and then...

  20. Geothermometry At Akutan Fumaroles Area (Kolker, Et Al., 2010) | Open

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  1. Geothermometry At Blackfoot Reservoir Area (Hutsinpiller & Parry, 1985) |

    Open Energy Info (EERE)

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  2. Geothermometry At Blue Mountain Geothermal Area (Casteel, Et Al., 2010) |

    Open Energy Info (EERE)

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  3. Geothermometry At Buffalo Valley Hot Springs Area (Laney, 2005) | Open

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  4. Geothermometry At Central Nevada Seismic Zone Region (Laney, 2005) | Open

    Open Energy Info (EERE)

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  5. Geothermometry At Central Nevada Seismic Zone Region (Shevenell & De

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View New PagesSustainable UrbanKentucky:Bore TechnologiesAssessmentOpen EnergyEnergyRocher, 2005) |

  6. Geothermometry At Chena Geothermal Area (Kolker, 2008) | Open Energy

    Open Energy Info (EERE)

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  7. Geothermometry At Coso Geothermal Area (1978) | Open Energy Information

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  8. Geothermometry At Fort Bliss Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

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  9. Geothermometry At Hot Springs Ranch Area (Szybinski, 2006) | Open Energy

    Open Energy Info (EERE)

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  10. Geothermometry At Kawaihae Area (Thomas, 1986) | Open Energy Information

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  11. Geothermometry At Kilauea East Rift Geothermal Area (Thomas, 1986) | Open

    Open Energy Info (EERE)

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  12. Geothermometry At Lahaina-Kaanapali Area (Thomas, 1986) | Open Energy

    Open Energy Info (EERE)

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  13. Geothermometry At Lassen Volcanic National Park Area (Janik & Mclaren,

    Open Energy Info (EERE)

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  14. Geothermometry At Lassen Volcanic National Park Area (Thompson, 1985) |

    Open Energy Info (EERE)

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  15. Geothermometry At Long Valley Caldera Geothermal Area (Mariner & Willey,

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View New PagesSustainable UrbanKentucky:Bore TechnologiesAssessmentOpenFishOpen Energy1976) | Open

  16. Geothermometry At Lualualei Valley Area (Thomas, 1986) | Open Energy

    Open Energy Info (EERE)

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  17. Geothermometry At New River Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

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  18. Geothermometry At Roosevelt Hot Springs Geothermal Area (Ward, Et Al.,

    Open Energy Info (EERE)

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  19. Geothermometry At The Needles Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

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  20. Geothermometry At Yellowstone Region (Fournier, 1979) | Open Energy

    Open Energy Info (EERE)

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  1. Isotope Geothermometry At Lightning Dock Geothermal Area (Witcher, 2006) |

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View NewTexas: Energy ResourcesOrder at 8, 13RenewableIrem GeothermalIslip Terrace,Open Energy

  2. Geochemistry And Geothermometry Of Spring Water From The Blackfoot

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX ECoopButtePowerEdistoWhiskeyFootprintGEXAGemini SolarMichigan:Region,Reservoir Region,

  3. Geothermometry At Alum Area (DOE GTP) | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View New Pages RecentPlant < Geothermal(Redirected from PowerWaterAlum

  4. Geothermometry At Coso Geothermal Area (1980) | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View New Pages RecentPlant < Geothermal(Redirected from

  5. Geothermometry At Raft River Geothermal Area (1980) | Open Energy

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View New Pages RecentPlant < Geothermal(Redirected2008) | Open

  6. Geothermometry At Silver Peak Area (DOE GTP) | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View New Pages RecentPlant <Silver Peak Area (DOE GTP) Jump to:

  7. Colorado thermal spring water geothermometry (public dataset) | Open Energy

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX ECoopButtePower Ventures Jump to: navigation,EnergyColoradoBank

  8. Improved Geothermometry Through Multivariate Reaction Path Modeling and

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

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:FinancingPetroleum12,ExecutiveFinancingREnergy ToolsCoordination BetweenImplementation

  9. Are the Radical Centers in Peptide Radical Cations Mobile? The Generation, Tautomerism, and Dissociation of Isomeric ?-Carbon-Centered Triglycine Radical Cations in the Gas Phase

    SciTech Connect (OSTI)

    Chu, Ivan K.; Zhao, Junfang; Xu, Minjie; Siu, Shiu On; Hopkinson, Alan C.; Siu , K W Michael

    2008-05-31

    The mobility of the radical center in three isomeric triglycine radical cationss[G•GG]+, [GG•G]+, and [GGG•]+shas been investigated theoretically via density functional theory (DFT) and experimentally via tandem mass spectrometry. These radical cations were generated by collision-induced dissociations (CIDs) of Cu(II)-containing ternary complexes that contain the tripeptides YGG, GYG, and GGY, respectively (G and Y are the glycine and tyrosine residues, respectively). Dissociative electron transfer within the complexes led to observation of [Y•GG]+, [GY•G]+, and [GGY•]+; CID resulted in cleavage of the tyrosine side chain as p-quinomethide, yielding [G•GG]+, [GG•G]+, and [GGG•]+, respectively. Interconversions between these isomeric triglycine radical cations have relatively high barriers (g44.7 kcal/mol), in support of the thesis that isomerically pure [G•GG]+, [GG•G]+, and [GGG•]+ can be experimentally produced. This is to be contrasted with barriers < 17 kcal/mol that were encountered in the tautomerism of protonated triglycine [Rodriquez C. F. et al. J. Am. Chem. Soc. 2001, 123, 3006-3012]. The CID spectra of [G•GG]+, [GG•G]+, and [GGG•]+ were substantially different, providing experimental proof that initially these ions have distinct structures. DFT calculations showed that direct dissociations are competitive with interconversions followed by dissociation.

  10. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

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

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti?C? paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li?, Na? or Mg²? intercalation, differentiating the Ti?C? paper from conventional electrodes where redox intercalation of ions (e.g. Li?) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performancemore »and cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.« less

  11. Retention of anhydrous ammonia as influenced by clay mineral types, cations, temperature and moisture 

    E-Print Network [OSTI]

    McBee, George G

    1956-01-01

    samples . . . ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ 0 13 Ammonia retained by clays heated to various temperature levels prior to treatment with anhydrous ammonia . . . . ~ 1'9 Ammonia retained by clays treated with anhydrous ammonia prior to heating... to various temperature levels . . . . . ~ 20 5a 6. 70 Ammoni. a retained sxuressed as psr cent of cation-exchange capacity for olays treated with anhydrous ammonia prior to heating to various temperature levels . ~. . . . . . ~ ~ . 21 Ammonia retained...

  12. Cloning and first functional characterization of a plant cyclic nucleotide-gated cation channel

    SciTech Connect (OSTI)

    Leng, Q.; Mercier, R.W.; Yao, W.; Berkowitz, G.A.

    1999-11-01

    Cyclic nucleotide-gated (cng) non-selective cation channels have been cloned from a number of animal systems. These channels are characterized by direct gating upon cAMO or cGMO binding to the intracellular portion of the channel protein, which leads to an increase in channel conductance. Animal cng channels are involved in signal transduction systems; they translate stimulus-induced changes in cytosolic cyclic nucleotide into altered cell membrane potential and/or cation flux as part of a signal cascade pathway. Putative plant homologs of animal cng channels have been identified. However, functional characterization (i.e., demonstration of cyclic-nucleotide-dependent ion currents) of a plant cng channel has not yet been accomplished. The authors report the cloning and first functional characterization of a plant member of this family of ion channels. The Arabidopsis cDNA AtCNGC2 encodes a polypeptide with deduced homology to the {alpha}-subunit of animal channels, and facilitates cyclic nucleotide-dependent cation currents upon expression in a number of heterologous systems. AtCNGC2 expression in a yeast mutant lacking a low-affinity K{sup +} uptake system complements growth inhibition only when lipophilic nucleotides are present in the culture medium. Voltage clamp analysis indicates that Xenopus lawvis oocytes injected with AtCNGC2 cRNA demonstrate cyclic-nucleotide-dependent, inward-rectifying K{sup +} currents. Human embryonic kidney cells (HEK293) transfected with AtCNGC2 cDNA demonstrate increased permeability to Ca{sup 2+} only in the presence of lipophilic cyclic nucleotides. The evidence presented here supports the functional classification of AtCNGC2 as a cyclic-nucleotide-gated cation channel, and presents the first direct evidence identifying a plant member of this ion channel family.

  13. Water soluble/dispersible and easy removable cationic adhesives and coating for paper recycling

    DOE Patents [OSTI]

    Deng, Yulin; Yan, Zegui

    2005-11-29

    The present invention is an adhesive or coating composition that is dispersible or dissolvable in water, making it useful in as a coating or adhesive in paper intended for recycling. The composition of the present invention is cationically charged thereby binding with the fibers of the paper slurry and thus, resulting in reduced deposition of adhesives on equipment during the recycling process. The presence of the composition of the present invention results in stronger interfiber bonding in products produced from the recycled fibers.

  14. Effects of ionic liquids on cation dynamics in amorphous polyethylene oxide electrolytes

    SciTech Connect (OSTI)

    Chattoraj, Joyjit, E-mail: jchat-01@uni-muenster.de; Diddens, Diddo; Heuer, Andreas [Institut für Physikalische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 28/30, D-48149 Münster (Germany)] [Institut für Physikalische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 28/30, D-48149 Münster (Germany)

    2014-01-14

    We perform extensive molecular dynamics simulations of a poly(ethylene oxide)-based polymer electrolyte material containing lithium bis(trifluoromethanesulfonyl)imide salt for a wide temperature regime above and below the experimental crystallization temperature with and without N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid (IL). The impact of the IL-concentration on the cation dynamics is studied. The increase of the cation mobility upon addition of IL is significant but temperature-independent. This can be related to distinct variations of the underlying transport properties as expressed within the previously introduced transport model of polymer electrolytes. Even for the largest IL concentration the transport model perfectly predicts the non-trivial time-dependence of the cationic mean square displacement for all temperatures. Finally, we compare our numerical and theoretical findings with the results of recent nuclear magnetic resonance experiments. In this way we can exclusively relate the strong experimentally observed dependence of the low-temperature Li-diffusivity on the IL concentration to the impact of IL on crystallization.

  15. Use of MgO doped with a divalent or trivalent metal cation for removing arsenic from water

    DOE Patents [OSTI]

    Moore, Robert C; Holt-Larese, Kathleen C; Bontchev, Ranko

    2013-08-13

    Systems and methods for use of magnesium hydroxide, either directly or through one or more precursors, doped with a divalent or trivalent metal cation, for removing arsenic from drinking water, including water distribution systems. In one embodiment, magnesium hydroxide, Mg(OH).sub.2 (a strong adsorbent for arsenic) doped with a divalent or trivalent metal cation is used to adsorb arsenic. The complex consisting of arsenic adsorbed on Mg(OH).sub.2 doped with a divalent or trivalent metal cation is subsequently removed from the water by conventional means, including filtration, settling, skimming, vortexing, centrifugation, magnetic separation, or other well-known separation systems. In another embodiment, magnesium oxide, MgO, is employed, which reacts with water to form Mg(OH).sub.2. The resulting Mg(OH).sub.2 doped with a divalent or trivalent metal cation, then adsorbs arsenic, as set forth above. The method can also be used to treat human or animal poisoning with arsenic.

  16. Femtosecond isomerization dynamics in the ethylene cation measured in an EUV-pump NIR-probe configuration

    E-Print Network [OSTI]

    van Tilborg, Jeroen

    2009-01-01

    cation measured in an EUV-pump NIR-probe con?guration J. vanEUV (extreme ultraviolet) pump pulse to populate the excited16, 17]. Here we apply a pump pulse at extreme ultraviolet (

  17. New Improved Equations For Na-K, Na-Li And Sio2 Geothermometers...

    Open Energy Info (EERE)

    with the performance of the original equations. The errors in the use of the new NaK equation for temperatures ranging from 80 to 350C vary from about 19 to 34%, which is lower...

  18. A New Improved Na-K Geothermometer By Artificial Neural Networks | Open

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EAand Dalton JumpProgram | OpenEnergyEvaluation |Island,Approach

  19. Application Of An Artificial Neural Network Model To A Na-K Geothermometer

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EAandAmminex A S Jump to:Angola onAperionCommission |DispersionOf Travale,||

  20. An Empirical Na-K-Ca Geothermometer For Natural Waters | Open Energy

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EAandAmminex A S Jump to: navigation,

  1. New Improved Equations For Na-K, Na-Li And Sio2 Geothermometers By Outlier

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsourceII Jump to: navigation,National MarineUSAIDCanaan,InformationTexas:

  2. Amino acid biosignatures : implications for the detection of extinct or extant microbial communities on Mars

    E-Print Network [OSTI]

    Aubrey, Andrew D.

    2008-01-01

    acid racemization to geochronology and geothermometry. Orig.Amino Acid Racemization to Geochronology and Geothermometry.acid racemization to geochronology and geothermometry. Orig.

  3. Amino Acid Biosignatures - Implications for the Detection of Extinct or Extant Microbial Communities on Mars

    E-Print Network [OSTI]

    Aubrey, Andrew D

    2008-01-01

    acid racemization to geochronology and geothermometry. Orig.Amino Acid Racemization to Geochronology and Geothermometry.acid racemization to geochronology and geothermometry. Orig.

  4. Cation-substituted spinel oxide and oxyfluoride cathodes for lithium ion batteries

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wongchang

    2014-05-13

    The present invention includes compositions and methods of making cation-substituted and fluorine-substituted spinel cathode compositions by firing a LiMn.sub.2-y-zLi.sub.yM.sub.zO.sub.4 oxide with NH.sub.4HF.sub.2 at low temperatures of between about 300 and 700.degree. C. for 2 to 8 hours and a .eta. of more than 0 and less than about 0.50, mixed two-phase compositions consisting of a spinel cathode and a layered oxide cathode, and coupling them with unmodified or surface modified graphite anodes in lithium ion cells.

  5. Functional Mn–Mg{sub k} cation complexes in GaN featured by Raman spectroscopy

    SciTech Connect (OSTI)

    Devillers, T. Bonanni, A.; Leite, D. M. G.; Department of Physics, São Paulo State University, Bauru–SP ; Dias da Silva, J. H.

    2013-11-18

    The evolution of the optical branch in the Raman spectra of (Ga,Mn)N:Mg epitaxial layers as a function of the Mn and Mg concentrations, reveals the interplay between the two dopants. We demonstrate that the various Mn-Mg-induced vibrational modes can be understood in the picture of functional Mn–Mg{sub k} complexes formed when substitutional Mn cations are bound to k substitutional Mg through nitrogen atoms, the number of ligands k being driven by the ratio between the Mg and the Mn concentrations.

  6. Synergistic extraction of some univalent cations into nitrobenzene by using cesium dicarbollylcobaltate and calix[4]arene-...

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Selucky, P.; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+ (aq) + CsL+ (nb) , ML+ (nb) + Cs+ (aq) taking place in the two-phase water nitrobenzene system (M+ = K+, Rb+, NH+4,Ag+, Tl+; L = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Furthermore, the stability constants of the ML+ complexes in nitrobenzene saturated with water were calculated; they were found to increase in the following cation order: NH+4 < K+ < Ag+ < Rb+ < Tl+.

  7. Zeaxanthin Radical Cation Formation in Minor Light-Harvesting Complexes of Higher Plant Antenna

    SciTech Connect (OSTI)

    Avenson, Thomas H.; Ahn, Tae Kyu; Zigmantas, Donatas; Niyogi, Krishna K.; Li, Zhirong; Ballottari, Matteo; Bassi, Roberto; Fleming, Graham R.

    2008-01-31

    Previous work on intact thylakoid membranes showed that transient formation of a zeaxanthin radical cation was correlated with regulation of photosynthetic light-harvesting via energy-dependent quenching. A molecular mechanism for such quenching was proposed to involve charge transfer within a chlorophyll-zeaxanthin heterodimer. Using near infrared (880-1100 nm) transient absorption spectroscopy, we demonstrate that carotenoid (mainly zeaxanthin) radical cation generation occurs solely in isolated minor light-harvesting complexes that bind zeaxanthin, consistent with the engagement of charge transfer quenching therein. We estimated that less than 0.5percent of the isolated minor complexes undergo charge transfer quenching in vitro, whereas the fraction of minor complexes estimated to be engaged in charge transfer quenching in isolated thylakoids was more than 80 times higher. We conclude that minor complexes which bind zeaxanthin are sites of charge transfer quenching in vivo and that they can assume Non-quenching and Quenching conformations, the equilibrium LHC(N)<--> LHC(Q) of which is modulated by the transthylakoid pH gradient, the PsbS protein, and protein-protein interactions.

  8. Diffusion of cations in chromia layers grown on iron-base alloys

    SciTech Connect (OSTI)

    Lobnig, R.E.; Hennesen, K.; Grabke, H.J. (Max-Planck Inst. fur Eisenforschung, Duesseldorf (West Germany)); Schmidt, H.P.

    1992-02-01

    Diffusion of the cations Cr, Fe, Mn, and Ni in Cr{sub 2}O{sub 3} has been investigated at 1,173 K. The diffusion measurements were performed on chromia layers grown on the model alloys Fe-20Cr and Fe-20Cr-12Ni in order to consider effects of small amounts of dissolved alien cations in Cr{sub 2}O{sub 3}. The samples were diffusion annealed in H{sub 2}-H{sub 2}O at an oxygen partial pressure close to the Cr{sub 2}O{sub 3}/Cr equilibrium. For all tracers the lattice-diffusion coefficients are 3-5 orders of magnitude smaller than the grain-boundary diffusion coefficients. The lattice diffusivity of Mn is about two orders of magnitude greater than the other lattice-diffusion coefficients, especially in Cr{sub 2}O{sub 3} grown on Fe-20Cr-12Ni. The values of the diffusion coefficients for Cr, Fe, and Ni are in the same range. Diffusion of the tracers in Cr{sub 2}O{sub 3} grown on different alloys did not show significant differences with the exception of Mn.

  9. Elucidating the Higher Stability of Vanadium (V) Cations in Mixed Acid Based Redox Flow Battery Electrolytes

    SciTech Connect (OSTI)

    Vijayakumar, M.; Wang, Wei; Nie, Zimin; Sprenkle, Vincent L.; Hu, Jian Z.

    2013-11-01

    The Vanadium (V) cation structures in mixed acid based electrolyte solution were analysed by density functional theory (DFT) based computational modelling and 51V and 35Cl Nuclear Magnetic Resonance (NMR) spectroscopy. The Vanadium (V) cation exists as di-nuclear [V2O3Cl2.6H2O]2+ compound at higher vanadium concentrations (?1.75M). In particular, at high temperatures (>295K) this di-nuclear compound undergoes ligand exchange process with nearby solvent chlorine molecule and forms chlorine bonded [V2O3Cl2.6H2O]2+ compound. This chlorine bonded [V2O3Cl2.6H2O]2+ compound might be resistant to the de-protonation reaction which is the initial step in the precipitation reaction in Vanadium based electrolyte solutions. The combined theoretical and experimental approach reveals that formation of chlorine bonded [V2O3Cl2.6H2O]2+ compound might be central to the observed higher thermal stability of mixed acid based Vanadium (V) electrolyte solutions.

  10. Modeling cation diffusion in compacted water-saturatedNa-bentonite at low ionic strength

    SciTech Connect (OSTI)

    Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.

    2007-08-28

    Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the 'macropore/nanopore' model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the 'surface diffusion' model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm{sup -3} (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.2 kg dm{sup -3}.

  11. Gas-phase reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms

    SciTech Connect (OSTI)

    Demarais, Nicholas J.; Yang, Zhibo; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, 215 UCB, University of Colorado, Boulder, CO 80309-0215 (United States); Snow, Theodore P., E-mail: Nicholas.Demarais@Colorado.edu, E-mail: Zhibo.Yang@ou.edu, E-mail: Veronica.Bierbaum@Colorado.edu, E-mail: Theodore.Snow@Colorado.edu [Center for Astrophysics and Space Astronomy, 389 UCB, University of Colorado, Boulder, CO 80309-0389 (United States)

    2014-03-20

    We have studied the reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms. Reaction rate constants are measured at 300 K using a flowing afterglow-selected ion flow tube. We have implemented the laser induced acoustic desorption technique to allow the study of large, non-volatile species in the gas phase. The extension of this work from previous studies shows that the reactivity of polycyclic aromatic hydrocarbon cations with H atoms reaches a constant value for large cations. There is a small difference in reactivity when comparing molecules of different size and geometry; however, no difference in reactivity was found when nitrogen was incorporated into the ring.

  12. Phenolic cation-exchange resin material for recovery of cesium and strontium. [Patent application

    DOE Patents [OSTI]

    Ebra, M.A.; Wallace, R.M.

    1982-05-05

    A phenolic cation exchange resin with a chelating group has been prepared by reacting resorcinol with iminodiacetic acid in the presence of formaldehyde at a molar ratio of about 1:1:6. The material is highly selective for the simultaneous recovery of both cesium and strontium from aqueous alkaline solutions, such as, aqueous alkaline nuclear wate solutions. The organic resins are condensation polymers of resorcinol and formaldehyde with attached chelating groups. The column performance of the resins compares favorably with that of commercially available resins for either cesium or strontium removal. By combining Cs/sup +/ and Sr/sup 2 +/ removal in the same bed, the resins allow significant reduction of the size and complexity of facilities for processing nuclear waste.

  13. Aqueous precipitation: Population balance modeling and control in multi-cation systems

    SciTech Connect (OSTI)

    Voigt, J.A.

    1996-03-01

    Efficient separation of metal species from aqueous streams by precipitation techniques requires a fundamental understanding of the processes that occur during precipitation. These processes include particle nucleation, particle growth by solute deposition, agglomerate formation, and agglomerate breakup. Population balance method has been used to develop a kinetic model that accounts for these competing kinetic processes. The usefulness of the model is illustrated through its application to precipitation of yttrium hydroxynitrate, YHN. Kinetic parameters calculated from the model equations and system-specific solution chemistry are used to describe several aspects of the effect of pH on YHN precipitation. Implications for simultaneous precipitation of more than one cation type are discussed with examples. Effects of solution chemistry, precipitator design, and solvent choice are considered.

  14. Phenolic cation exchange resin material for recovery of cesium and strontium

    DOE Patents [OSTI]

    Ebra, Martha A. (Aiken, SC); Wallace, Richard M. (Aiken, SC)

    1983-01-01

    A phenolic cation exchange resin with a chelating group has been prepared by reacting resorcinol with iminodiacetic acid in the presence of formaldehyde at a molar ratio of about 1:1:6. The material is highly selective for the simultaneous recovery of both cesium and strontium from aqueous alkaline solutions, such as, aqueous alkaline nuclear waste solutions. The organic resins are condensation polymers of resorcinol and formaldehyde with attached chelating groups. The column performance of the resins compares favorably with that of commercially available resins for either cesium or strontium removal. By combining Cs.sup.+ and Sr.sup.2+ removal in the same bed, the resins allow significant reduction of the size and complexity of facilities for processing nuclear waste.

  15. Cation-substituted spinel oxide and oxyfluoride cathodes for lithium ion batteries

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wonchang

    2010-05-18

    The present invention includes compositions and methods of making cation-substituted and fluorine-substituted spinel cathode compositions by firing a LiMn2-y-zLiyMzO4 oxide with NH4HF2 at low temperatures of between about 300 and 700.degree. C. for 2 to 8 hours and a .eta. of more than 0 and less than about 0.50, mixed two-phase compositions consisting of a spinel cathode and a layered oxide cathode, and coupling them with unmodified or surface modified graphite anodes in lithium ion cells.

  16. Cationic quaternization of cellulose with methacryloyloxy ethyl trimethyl ammonium chloride via ATRP method

    SciTech Connect (OSTI)

    Supeno [Cenderawasih University, Jayapura, Papua, Indonesia and School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Daik, Rusli, E-mail: rusli@ukm.edu.my [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); El-Sheikh, Said M. [Nano-Structured Materials Division, Advanced Materials Department, Central Metallurgical Research and Development Institute, Cairo (Egypt)

    2014-09-03

    The synthesis of a cationic cellulose copolymer from cellulose macro-initiator (MCC-BiB) and quaternary compound monomer (METMA) via atom transfer radical polymerization (ATRP) was studied. By using dimethylformamide (DMF), the optimum condition for successful synthesis was at the mole ratio of MCC-BIB:Catalyst:METMA = 1:1:26. The highest copolymer recovery was 93.2 % for 6 h and at 40°C. The copolymer was insoluble in weak polar solvents such as THF and DMF but soluble in methanol and water. The chemistry of cellulose copolymer was confirmed by the FTIR and TGA in which the METMA monomer was used as a reference. The absence of CC bond in the CiB-g-METMA spectrum indicated that graft copolymerization occurred.

  17. Preparation of metallic cation conducting polymers based on sterically hindered phenols containing polymeric systems

    DOE Patents [OSTI]

    Skotheim, Terje A. (Shoreham, NY); Okamoto, Yoshiyuki (Fort Lee, NJ); Lee, Hung S. (Woodside, NY)

    1989-01-01

    The present invention relates to ion-conducting solvent-free polymeric systems characterized as being cationic single ion conductors. The solvent-free polymer electrolytes comprise a flexible polymer backbone to which is attached a metal salt, such as a lithium, sodium or potassium salt, of a sterically hindered phenol. The solid polymer electrolyte may be prepared either by (1) attaching the hindered phenol directly to a flexible polymeric backbone, followed by neutralization of the phenolic OH's or (2) reacting the hindered phenol with a polymer precursor which is then polymerized to form a flexible polymer having phenolic OH's which are subsequently neutralized. Preferably the hindered phenol-modified polymeric backbone contains a polyether segment. The ionic conductivity of these solvent-free polymer electrolytes has been measured to be in the range of 10.sup.-4 to 10.sup.-7 S cm.sup.-1 at room temperature.

  18. Preparation of metallic cation conducting polymers based on sterically hindered phenols containing polymeric systems

    DOE Patents [OSTI]

    Skotheim, T.A.; Okamoto, Yoshiyuki; Lee, H.S.

    1989-11-21

    The present invention relates to ion-conducting solvent-free polymeric systems characterized as being cationic single ion conductors. The solvent-free polymer electrolytes comprise a flexible polymer backbone to which is attached a metal salt, such as a lithium, sodium or potassium salt, of a sterically hindered phenol. The solid polymer electrolyte may be prepared either by (1) attaching the hindered phenol directly to a flexible polymeric backbone, followed by neutralization of the phenolic OH's or (2) reacting the hindered phenol with a polymer precursor which is then polymerized to form a flexible polymer having phenolic OH's which are subsequently neutralized. Preferably the hindered phenol-modified polymeric backbone contains a polyether segment. The ionic conductivity of these solvent-free polymer electrolytes has been measured to be in the range of 10[sup [minus]4] to 10[sup [minus]7] S cm[sup [minus]1] at room temperature.

  19. Optical and electronic properties of mixed Ag-Au tetramer cations

    SciTech Connect (OSTI)

    Shayeghi, A., E-mail: shayeghi@cluster.pc.chemie.tu-darmstadt.de; Schäfer, R. [Eduard-Zintl-Institut, Technische Universität Darmstadt, Alarich-Weiss-Straße 8, 64287 Darmstadt (Germany)] [Eduard-Zintl-Institut, Technische Universität Darmstadt, Alarich-Weiss-Straße 8, 64287 Darmstadt (Germany); Heard, C. J.; Johnston, R. L. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)] [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

    2014-02-07

    We present experimental and theoretical studies of the optical response of mixed Ag {sub n} Au {sub 4?n}{sup +} (n=1–3) clusters in the photon energy range ?? = 1.9–3.5 eV. Absorption spectra are recorded by a newly built longitudinal molecular beam depletion spectroscopy apparatus providing lower limits to absolute photodissociation cross sections. The experimental data are compared to optical response calculations in the framework of long-range corrected time-dependent density functional theory with initial cluster geometries obtained by the unbiased Birmingham Cluster Genetic Algorithm coupled with density functional theory. Experiments and excited state calculations shed light on the structural and electronic properties of the mixed Ag-Au tetramer cations.

  20. A Hybrid Redox-Supercapacitor System with Anionic Catholyte and Cationic Anolyte

    SciTech Connect (OSTI)

    Wang, B; Macia-Agullo, JA; Prendiville, DG; Zheng, X; Liu, D; Zhang, Y; Boettcher, SW; Ji, X; Stucky, GD

    2014-04-11

    A significant challenge for energy storage technologies is to realize battery-level energy density and capacitor-level durability and power density in one device. By introducing an electrolyte composed of an anionic catholyte and a cationic anolyte into a symmetric carbon-based supercapacitor configuration, a hybrid electrochemical battery-supercapacitor system using soluble redox species delivers significantly improved energy density from 20 to 42 W.h/kg (based on the electrode mass) and stable capacities for > 10(4) cycles. The ionic species formed in the electrolyte are studied by UV-Vis, Raman and mass spectroscopy to probe the energy storage mechanism. The strategy is general and may provide a route to critically-needed fast-charging devices with both high energy density and power. (C) 2014 The Electrochemical Society. All rights reserved.

  1. Nuclear spin relaxation of sodium cations in bacteriophage Pf1 solutions D. N. Sobieski, N. R. Krueger, S. Vyas,a

    E-Print Network [OSTI]

    Augustine, Mathew P.

    Nuclear spin relaxation of sodium cations in bacteriophage Pf1 solutions D. N. Sobieski, N. R The nuclear magnetic resonance NMR spectra for the I=3/2 23 Na cation dissolved into filamentous bacteriophage the 23 Na nuclear quadrupole moment and the electric field gradient produced by the negatively charged Pf

  2. SepTeMBeR 2011 | Vol. 54 | no. 9 | CommUniCations of the aCm 69 Constraint-satisfaction problems arise in diverse

    E-Print Network [OSTI]

    Plotkin, Joshua B.

    SepTeMBeR 2011 | Vol. 54 | no. 9 | CommUniCations of the aCm 69 Constraint-satisfaction problems techniques. #12;70 CommUniCations of the aCm | SepTeMBeR 2011 | Vol. 54 | no. 9 contributed articles

  3. Suppression of strain coupling in perovskite La0.6Sr0.1TiO3 by cation disorder Christopher J. Howard and Zhaoming Zhang

    E-Print Network [OSTI]

    Cambridge, University of

    Suppression of strain coupling in perovskite La0.6Sr0.1TiO3 by cation disorder Christopher J of the degree of cation order in perovskites with carefully selected compositions might therefore provide not seem to have been applied to ferroelastic transitions in perovskites, however, and the purpose

  4. Condensation Reactions between 1,3-Butadiene Radical Cation and Acetylene in the Gas Guy Bouchoux,*, Minh Tho Nguyen, and Jean-Yves Salpin,

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    Condensation Reactions between 1,3-Butadiene Radical Cation and Acetylene in the Gas Phase Guy experimental and theoretical results concerning the reaction of [1,3-butadiene]+· radical cation, 1-Alder reaction involving ionized 1,3-butadiene and ethylene gives ionized cyclopenteny

  5. 1Campus loCation: C Croydon H Hawthorn M melbourne CBD P prahran W Wantirna Professional development

    E-Print Network [OSTI]

    Liley, David

    1Campus loCation: C Croydon H Hawthorn M melbourne CBD P prahran W Wantirna Professional Qualities 10 managing for maximum performance 11 Business Essentials project management Fundamentals 13 Contract Risk management 13 professional selling skills 14 sales skills ­ strategies to increase Your sales

  6. Salt-induced stabilization of apoflavodoxin at neutral pH is mediated through cation-specific effects

    E-Print Network [OSTI]

    Sancho, Javier

    Salt-induced stabilization of apoflavodoxin at neutral pH is mediated through cation stability of apoflavodoxin were studied by measurement of the proton and salt-linked stability of electrostatic Gibbs free energy were performed in parallel over a range of pH values and salt concentrations

  7. Environmental Radioactivity 47 (2000) 189}199 E!ects of air conditioning, dehumidi"cation and

    E-Print Network [OSTI]

    Yu, Peter K.N.

    2000-01-01

    Journal of Environmental Radioactivity 47 (2000) 189}199 E!ects of air conditioning, dehumidi to lower the Rn levels, while air conditioning is the next. Dehumidi"cation provides only a marginal and pressure. 1999 Elsevier Science Ltd. All rights reserved. Keywords: Radon; Thoron; Buildings; Air

  8. Computational study of the energetics of charge and cation mixing in U1-xCexO?

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

    Hanken, B. E.; Stanek, C. R.; Grønbech-Jensen, N.; Asta, M.

    2011-08-26

    The formalism of electronic density-functional theory (DFT), with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of fluorite-structured U1-xCexO? mixtures. The computational approach makes use of a procedure which facilitates convergence of the calculations to multiple self-consistent DFT+U solutions for a given cation arrangement, corresponding to different charge states for the U and Ce ions in several prototypical cation arrangements. Results indicate a significant dependence of the structural and energetic properties on the nature of both charge and cation ordering. With the effective Hubbard-U parameters that reproduce well the measured oxidation-reduction energies for urania and ceria,more »we find that charge transfer between U?? and Ce?? ions, leading to the formation of U?? and Ce³?, gives rise to an increase in the mixing energy in the range of 4–14 kJ/mol of the formula unit, depending on the nature of the cation ordering. The results suggest that although charge transfer between uranium and cerium ions is disfavored energetically, it is likely to be entropically stabilized at the high temperatures relevant to the processing and service of urania-based solid solutions.« less

  9. Evolution of Hollow TiO2 Nanostructures via the Kirkendall Effect Driven by Cation Exchange with Enhanced Photoelectrochemical

    E-Print Network [OSTI]

    Wang, Xudong

    . The evolution of TiO2 nanotubes from ZnO NW scaffolds was seamlessly integrated with TiO2 NR branch growthEvolution of Hollow TiO2 Nanostructures via the Kirkendall Effect Driven by Cation Exchange. In this paper, we report a discovery of hollow TiO2 nanostructure evolution in a vapor-solid deposition system

  10. Boolean algebra is a simple system with many appli-cations. In binary arithmetic, numbers have a value of

    E-Print Network [OSTI]

    Boolean algebra is a simple system with many appli- cations. In binary arithmetic, numbers have; Personal Computers; Supercomputers. B I B L I O G R A P H Y Burris, Stanley. ``George Boole://plato.stanford.edu/archives/sum2010/entries/boole/ Krantz, Steven G. Discrete Mathematics Demystified. New York: McGraw-Hill, 2009

  11. Computational study of the energetics of charge and cation mixing in U1-xCexO?

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

    Hanken, B. E.; Stanek, C. R.; Grønbech-Jensen, N.; Asta, M.

    2011-08-01

    The formalism of electronic density-functional theory (DFT), with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of fluorite-structured U1-xCexO? mixtures. The computational approach makes use of a procedure which facilitates convergence of the calculations to multiple self-consistent DFT+U solutions for a given cation arrangement, corresponding to different charge states for the U and Ce ions in several prototypical cation arrangements. Results indicate a significant dependence of the structural and energetic properties on the nature of both charge and cation ordering. With the effective Hubbard-U parameters that reproduce well the measured oxidation-reduction energies for urania and ceria, we find that charge transfer between U?? and Ce?? ions, leading to the formation of U?? and Ce³?, gives rise to an increase in the mixing energy in the range of 4–14 kJ/mol of the formula unit, depending on the nature of the cation ordering. The results suggest that although charge transfer between uranium and cerium ions is disfavored energetically, it is likely to be entropically stabilized at the high temperatures relevant to the processing and service of urania-based solid solutions.

  12. An alkaline direct ethanol fuel cell with a cation exchange membrane Liang An and T. S. Zhao*

    E-Print Network [OSTI]

    Zhao, Tianshou

    An alkaline direct ethanol fuel cell with a cation exchange membrane Liang An and T. S. Zhao the performance of anion exchange membrane (AEM) direct ethanol fuel cells (DEFCs) is that state-of-the-art AEMs exchange membrane direct ethanol fuel cells (AEM- DEFCs) have received ever-increasing attention, mainly

  13. Electronic structure of the benzene dimer cation Piotr A. Pieniazek, Anna I. Krylov, and Stephen E. Bradforth

    E-Print Network [OSTI]

    Krylov, Anna I.

    Electronic structure of the benzene dimer cation Piotr A. Pieniazek, Anna I. Krylov, and Stephen E-0482 Received 20 March 2007; accepted 22 May 2007; published online 31 July 2007 The benzene and benzene dimer benzene. Both sandwich and t-shaped structures feature intense charge resonance bands, whose location

  14. Cation ordering and effect of biaxial strain in double perovskite CsRbCaZnCl6

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

    Pilania, G.; Uberuaga, B. P.

    2015-03-19

    Here, we investigate the electronic structure, energetics of cation ordering, and effect of biaxial strain on double perovskite CsRbCaZnCl6 using first-principles calculations based on density functional theory. The two constituents (i.e., CsCaCl3 and RbZnCl3) forming the double perovskite exhibit a stark contrast. While CsCaCl3 is known to exist in a cubic perovskite structure and does not show any epitaxial strain induced phase transitions within an experimentally accessible range of compressive strains, RbZnCl3 is thermodynamically unstable in the perovskite phase and exhibits ultra-sensitive response at small epitaxial strains if constrained in the perovskite phase. We show that combining the two compositionsmore »in a double perovskite structure not only improves overall stability but also the strain-polarization coupling of the material. Our calculations predict a ground state with P4/nmm space group for the double perovskite, where A-site cations (i.e., Cs and Rb) are layer-ordered and B-site cations (i.e., Ca and Zn) prefer a rocksalt type ordering. The electronic structure and bandgap in this system are shown to be quite sensitive to the B-site cation ordering and is minimally affected by the ordering of A-site cations. We find that at experimentally accessible compressive strains CsRbCaZnCl6 can be phase transformed from its paraelectric ground state to an antiferroelectric state, where Zn atoms contribute predominantly to the polarization. Furthermore, both energy difference and activation barrier for a transformation between this antiferroelectric state and the corresponding ferroelectric configuration are predicted to be small. As a result, the computational approach presented here opens a new pathway towards a rational design of novel double perovskites with improved strain response and functionalities.« less

  15. A search for the sulphur hexafluoride cation with intense, few cycle laser pulses

    SciTech Connect (OSTI)

    Dota, Krithika; Mathur, Deepak; Centre for Atomic and Molecular Physics, Manipal University, Manipal 576 104 ; Dharmadhikari, Aditya K.; Dharmadhikari, Jayashree A.; Patra, Kaustuv; Tiwari, Ashwani K.

    2013-11-21

    It is well established that upon ionization of sulphur hexafluoride, the SF{sub 6}{sup +} ion is never observed in mass spectra. Recent work with ultrashort intense laser pulses has offered indications that when strong optical field are used, the resulting “bond hardening” can induce changes in the potential energy surfaces of molecular cations such that molecular ions that are normally unstable may, indeed, become metastable enough to enable their detection by mass spectrometry. Do intense, ultrashort laser pulses permit formation of SF{sub 6}{sup +}? We have utilized intense pulses of 5 fs, 11 fs, and 22 fs to explore this possibility. Our results are negative: no evidence is discovered for SF{sub 6}{sup +}. However, multiply charged sulphur and fluorine ions from highly charged SF{sub 6}{sup q+} ions are observed that enable us to resolve the controversy regarding the kinetic energy release accompanying formation of F{sup +} fragment ions. Quantum chemical computations of field-distorted potential energy curves of SF{sub 6} and its molecular ion enable us to rationalize our non-observation of SF{sub 6}{sup +}. Our findings have implications for high harmonic generation from SF{sub 6} in the few-cycle regime.

  16. Solvent effects on the resonance Raman and electronic absorption spectra of bacteriochlorophyll a cation radical

    SciTech Connect (OSTI)

    Misono, Yasuhito; Itoh, Koichi [Waseda Univ., Tokyo (Japan)] [Waseda Univ., Tokyo (Japan); Limanatara, Leenawaty; Koyama, Yasushi [Kwansei Gakuin Univ., Nishinomiya (Japan)] [Kwansei Gakuin Univ., Nishinomiya (Japan)

    1996-02-08

    Resonance Raman and electronic absorption spectra of bacteriocholrophyll a cation radical (BChl a{sup .+}) were recorded in 14 different kinds of solvents. The frequency of the ring-breathing Raman band of BChl a{sup .+} was in the region of 1596-1599 cm{sup -1} in solvents forming the pentacoordinated state in neutral bacteriochlorophyll a (BChl a), while it was in the region of 1584-1588 cm{sup -1} in solvents forming the hexacoordinated state. BChl a{sup .+} exhibited a key absorption band in the regions 546-554 and 557-563 nm in the above penta- and hexa-coordinating solvents. Therefore, it has been concluded that the penta- and hexa-coordinated states are retained even after conversion of BChl a into BChl a{sup .+} (one-electron oxidization). Application of this rule to the case of 2-propanol solution showed transformation from the penta- to the hexa-coordinated state upon one-electron oxidation in this particular solution. The coordination states of BChl a{sup .+} could be correlated with the donor number(DN) and the Taft parameters, {Beta} and {pi}{sup *}, of the solvent: The hexacoordinated state was formed in solvents with DN >= 18 or {Beta} > 0.5 showing higher electron donating power, while the pentacoordinated state was formed in solvents with {pi}{sup *} > 0.65 showing higher dielectric stabilization. 27 refs., 8 figs., 3 tabs.

  17. Independent control of the shape and composition of ionic nanocrystals through sequential cation exchange reactions

    SciTech Connect (OSTI)

    Luther, Joseph Matthew; Zheng, Haimei; Sadtler, Bryce; Alivisatos, A. Paul

    2009-07-06

    Size- and shape-controlled nanocrystal growth is intensely researched for applications including electro-optic, catalytic, and medical devices. Chemical transformations such as cation exchange overcome the limitation of traditional colloidal synthesis, where the nanocrystal shape often reflects the inherent symmetry of the underlying lattice. Here we show that nanocrystals, with established synthetic protocols for high monodispersity, can be templates for independent composition control. Specifically, controlled interconversion between wurtzite CdS, chalcocite Cu2S, and rock salt PbS occurs while preserving the anisotropic dimensions unique to the as-synthesized materials. Sequential exchange reactions between the three sulfide compositions are driven by the disparate solubilites of the metal ion exchange pair in specific coordinating molecules. Starting with CdS, highly anisotropic PbS nanorods are created, which serve as an important material for studying strong 2-dimensional quantum confinement, as well as for optoelectronic applications. Furthermore, interesting nanoheterostructures of CdS|PbS are obtained by precise control over ion insertion and removal.

  18. Millisecond Kinetics of Nanocrystal Cation Exchange UsingMicrofluidic X-ray Absorption Spectroscopy

    SciTech Connect (OSTI)

    Chan, Emory M.; Marcus, Matthew A.; Fakra, Sirine; Elnaggar,Mariam S.; Mathies, Richard A.; Alivisatos, A. Paul

    2007-05-07

    We describe the use of a flow-focusing microfluidic reactorto measure the kinetics of theCdSe-to-Ag2Se nanocrystal cation exchangereaction using micro-X-ray absorption spectroscopy (mu XAS). The smallmicroreactor dimensions facilitate the millisecond mixing of CdSenanocrystal and Ag+ reactant solutions, and the transposition of thereaction time onto spatial coordinates enables the in situ observation ofthe millisecond reaction with mu XAS. XAS spectra show the progression ofCdSe nanocrystals to Ag2Se over the course of 100 ms without the presenceof long-lived intermediates. These results, along with supporting stoppedflow absorption experiments, suggest that this nanocrystal cationexchange reaction is highly efficient and provide insight into how thereaction progresses in individual particles. This experiment illustratesthe value and potential of in situ microfluidic X-ray synchrotrontechniques for detailed studies of the millisecond structuraltransformations of nanoparticles and other solution-phase reactions inwhich diffusive mixing initiates changes in local bond structures oroxidation states.

  19. Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion

    SciTech Connect (OSTI)

    Xian-Ming Bai; Yongfeng Zhang; Michael R. Tonks

    2013-10-01

    Zirconium alloys are the major fuel cladding materials in current reactors. The water-side corrosion is one of the major degradation mechanisms of these alloys. During corrosion the transport of oxidizing species in zirconium dioxide (ZrO2) determines the corrosion kinetics. Previously it has been argued that the outward diffusion of cation ions is important for forming protective oxides. In this work, the migration of Zr defects in tetragonal ZrO2 is studied with temperature accelerated dynamics and molecular dynamics simulations. The results show that Zr interstitials have anisotropic diffusion and migrate preferentially along the [001] or c direction in tetragonal ZrO2. The compressive stresses can increase the Zr interstitial migration barrier significantly. The migration barriers of some defect clusters can be much lower than those of point defects. The migration of Zr interstitials at some special grain boundaries is much slower than in a bulk oxide. The implications of these atomistic simulation results in the Zr corrosion are discussed.

  20. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    SciTech Connect (OSTI)

    Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

    2008-12-08

    The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

  1. Interaction of the cesium cation with calix[4]arene-bis(t-octylbenzo-18-crown-6): Extraction and DFT study

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Toman, Petr; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the extraction constant corresponding to the equilibrium Cs+ (aq) + I (aq) + 1 (org),1Cs+ (org) + I (org) taking place in the two-phase water-phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as logKex (1Cs+, I) = 2.1 0.1. Further, the stability constant of the 1Cs+ complex in FS 13 saturated with water was calculated for a temperature of 25 C: log borg (1Cs+) = 9.9 0.1. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1Cs+ was derived. In the resulting 1Cs+ complex, the central cation Cs+ is bound by eight bond interactions to six oxygen atoms of the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent ligand 1 via cation p interaction.

  2. Effect of bore fluid composition on microstructure and performance of a microporous hollow fibre membrane as a cation-exchange substrate

    E-Print Network [OSTI]

    Lazar, Radu Alexandru; Mandal, Isphita; Slater, Nigel K. H.

    2015-03-20

    produced with water and glycerol, while NMP bore fluid resulted in a skinless inner HF surface. The HFs were modified for chromatography by functionalising the polymer surface hydroxyl groups with sulphonic acid (SP) groups to produce cation...

  3. Doping against the native propensity of MoS?: Degenerate hole doping by cation substitution

    SciTech Connect (OSTI)

    Suh, Joonki; Park, Tae-Eon; Lin, Der-Yuh; Fu, Deyi; Park, Joonsuk; Jung, Hee Joon; Chen, Yabin; Ko, Changhyun; Jang, Chaun; Sun, Yinghui; Sinclair, Robert; Chang, Joonyeon; Tongay, Sefaattin; Wu, Junqiao

    2014-12-10

    Layered transition metal dichalcogenides (TMDs) draw much attention as the key semiconducting material for two-dimensional electrical, optoelectronic, and spintronic devices. For most of these applications, both n- and p-type materials are needed to form junctions and support bipolar carrier conduction. However, typically only one type of doping is stable for a particular TMD. For example, molybdenum disulfide (MoS?) is natively an n-type presumably due to omnipresent electron-donating sulfur vacancies, and stable/controllable p-type doping has not been achieved. The lack of p-type doping hampers the development of charge-splitting p–n junctions of MoS?, as well as limits carrier conduction to spin-degenerate conduction bands instead of the more interesting, spin-polarized valence bands. Traditionally, extrinsic p-type doping in TMDs has been approached with surface adsorption or intercalation of electron-accepting molecules. However, practically stable doping requires substitution of host atoms with dopants where the doping is secured by covalent bonding. In this work, we demonstrate stable p-type conduction in MoS? by substitutional niobium (Nb) doping, leading to a degenerate hole density of ~3 × 10¹? cm?³. Structural and X-ray techniques reveal that the Nb atoms are indeed substitutionally incorporated into MoS? by replacing the Mo cations in the host lattice. van der Waals p–n homojunctions based on vertically stacked MoS? layers are fabricated, which enable gate-tunable current rectification. A wide range of microelectronic, optoelectronic, and spintronic devices can be envisioned from the demonstrated substitutional bipolar doping of MoS?. From the miscibility of dopants with the host, it is also expected that the synthesis technique demonstrated here can be generally extended to other TMDs for doping against their native unipolar propensity.

  4. Cation Movements during Dehydration and NO2 Desorption in a Ba-Y,FAU zeolite: an in situ Time-resolved X-ray Diffraction Study

    SciTech Connect (OSTI)

    Wang, Xianqin; Hanson, Jonathan C.; Kwak, Ja Hun; Szanyi, Janos; Peden, Charles HF

    2013-02-28

    Synchrotron-based in situ time-resolved X-ray diffraction and Rietveld analysis were used to probe the interactions between BaY, FAU zeolite frameworks and H2O or NO2 molecules. These results provided information about the migration of the Ba2+ cations in the zeolite framework during dehydration and during NO2 adsorption/desorption processes in a water free zeolite. In the hydrated structure water molecules form four double rings of hexagonal ice-like clusters [(H2O)6] in the 12-ring openings of the super-cage. These water rings interacted with the cations and the zeolite framework through four cation/water clusters centered over the four 6-membered rings of the super-cage (site II). Interpenetrating tetrahedral water clusters [(H2O)4] and tetrahedral Ba+2 cation clusters were observed in the sodalite cage. Consistent with the reported FT-IR results, three different ionic NOx species (NO+, NO+-NO2, and NO3-) were observed following NO2 adsorption by the dehydrated Ba-Y,FAU zeolite. The structure of the water and the NOx species were correlated with the interactions between the adsorbates, the cations, and the framework. The population of Ba2+ ions at different cationic positions strongly depended on the amount of bound water or NOx species. Both dehydration and NO2 adsorption/desorption resulted in facile migration of Ba2+ ions among the different cationic positions. Data obtained in this work have provided direct evidence for the Ba2+ cation migration to accommodate the binding of gas molecules. This important feature may play a pivotal role in the strong binding of NO2 to Ba-Y,FAU zeolite, a prerequisite for high catalytic activity in lean NOx reduction catalysis.

  5. An in situ neutron diffraction study of cation disordering in synthetic quandilite Mg{sub 2}tiO{sub 4} at high temperatures.

    SciTech Connect (OSTI)

    O'Neill, H. St. C.; Redfern, S. A. T.; Kesson, S.; Short, S.; Australian National Univ.; Univ. Cambridge

    2003-05-01

    Temperature-dependent cation order-disorder has been studied in many 2+ - 3+ oxide spinels but 4+ - 2+ spinels have been found to be either completely normal or completely inverse when examined at room temperature. Here we report the temperature dependence of the cation distribution in the 4-2 spinel synthetic qandilite (Mg{sub 2}TiO{sub 4}) from in situ time-of-flight neutron powder diffraction experiments to 1416 {sup o}C. At room temperature, Mg{sub 2}TiO{sub 4} is confirmed to have completely inverse cation distribution, with Ti atoms occupying half the octahedrally coordinated cation sites. Cation disordering becomes observable above about 900 {sup o}C, with 4% of the Ti occupying the tetrahedral site by 1416 {sup o}C. The rate of reordering on cooling is fast, such that high-temperature disorder is not preserved on cooling to room temperature. The thermodynamics of the change in cation distribution with temperature can be described by an enthalpy of Mg-Ti disorder of -46.1 {+-} 0.4 kJ/mol.

  6. New iodocuprates(I) with N-heterocyclic molecules as the cations

    SciTech Connect (OSTI)

    Zhao, Jin-Jing; Zhang, Xiao; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing

    2013-11-15

    Under the hydrothermal conditions, the reactions between CuI, KI and bp/bpp (bp=4,4?-bipiperidine, bpp=1,3-bis(4-piperidyl)propane) in an acidic alcohol solution produced three new organically templated iodocuprates(I) as [H{sub 2}bp]{sub 2}[Cu{sub 2}I{sub 6}] 1, [tmbp][Cu{sub 2}I{sub 4}] 2 and [tmbpp] 2 [Cu{sub 4}I{sub 8}]·2H{sub 2}O 3 (tmbp{sup 2+}=N,N,N?,N?-tetramethyl-4,4?-bipiperidinium; tmbpp{sup 2+}=N,N,N?,N?-tetramethyl-1,3-bis(4-piperidyl)propane dication). X-ray analysis revealed that (i) tmbp{sup 2+} and tmbpp{sup 2+} in compounds 2 and 3 originated from the complete N-alklation of bp/bpp with CH{sub 3}OH; (ii) templated by H{sub 2}bp{sup 2+}, the inorganic anion [Cu{sub 2}I{sub 6}]{sup 2?} of 1 possesses a dinuclear structure, whereas templated by tmbp{sup 2+}, the inorganic anion [Cu{sub 2}I{sub 4}]{sup 2?} of 2 exhibits a one-dimensional (1D) chain structure; (iii) templated by tmbpp{sup 2+}, the inorganic anion [Cu{sub 4}I{sub 8}]{sup 4?} of 3 shows a cubane-like structure modified by four terminal I{sup ?} ions. The photoluminescence analysis indicates that compounds 1 and 2 emit blue light, while compound 3 emits green light. - Graphical abstract: By employing hydrothermal in situ N-alkylation of bp/bpp with CH{sub 3}OH, three new organically templated iodocuprates(I) were obtained. Display Omitted - Highlights: • Three new organically templated iodocuprates(I) were reported. • Cations tmbp{sup 2+} and tmbpp{sup 2+} originated from in situ alkylation of bp/bpp with CH{sub 3}OH. • H{sup +} and I{sup ?} play a key role in alkylation of bp/bpp with CH{sub 3}OH. • Photoluminescence emission for iodocuprates(I) is related to Cu···Cu interaction.

  7. Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding

    SciTech Connect (OSTI)

    Johnson, Grant E.; Olivares, Astrid M.; Hill, David E.; Laskin, Julia

    2015-01-01

    We present a systematic study of the effect of the number of methyl (Me) and cyclohexyl (Cy) functional groups in monodentate phosphine ligands on the solution-phase synthesis of ligated sub-nanometer gold clusters and their gas-phase fragmentation pathways. Small mixed ligand cationic gold clusters were synthesized using ligand exchange reactions between pre-formed triphenylphosphine ligated (PPh3) gold clusters and monodentate Me- and Cy-substituted ligands in solution and characterized using electrospray ionization mass spectrometry (ESI-MS) and collision-induced dissociation (CID) experiments. Under the same experimental conditions, larger gold-PPh3 clusters undergo efficient exchange of unsubstituted PPh3 ligands for singly Me- and Cy-substituted PPh2Me and PPh2Cy ligands. The efficiency of ligand exchange decreases with an increasing number of Me or Cy groups in the substituted phosphine ligands. CID experiments performed for a series of ligand-exchanged gold clusters indicate that loss of a neutral Me-substituted ligand is preferred over loss of a neutral PPh¬3 ligand while the opposite trend is observed for Cy-substituted ligands. The branching ratio of the competing ligand loss channels is strongly correlated with the electron donating ability of the phosphorous lone pair as determined by the relative proton affinity of the ligand. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3< PPh2Cy < PPhCy2< PCy3. Furthermore, the difference in relative ligand binding energies increases with the number of substituted PPh3-mMem or PPh3-mCym ligands (L) exchanged onto each cluster. This study provides the first experimental determination of the relative binding energies of ligated gold clusters containing differently substituted monophosphine ligands, which are important to controlling their synthesis and reactivity in solution. The results also indicate that ligand substitution is an important parameter that must be considered in theoretical modeling of these complex systems

  8. Approach to the surface characteristics of the H and H -LaT forms of cation-exchange resins by measurement of the heat of immersion

    SciTech Connect (OSTI)

    Suzuki, T.; Uematsu, T.

    1985-11-07

    Surface characteristics of H and its multivalent cation-exchanged resins, which have been used as catalysts, were probed by measurement of the heats of immersion in 1-nitropropane, n-hexane, and water. It was found that the electrostatic field strengths (F) calculated from the heats of immersion in 1-nitropropane and n-hexane increased with increasing ratios of the exchanged multivalent cation (LaT ) in the univalent form (H ) cation-exchange resin. This tendency was also observed in the differences in F between the LaT exchanged resins and H form of the resin by using the calorimetric data obtained from the heats of immersion in water. These results suggest that the exchanged LaT ion does not homogeneously interact with three univalent anionic sites (SO3 ) of the cation-exchange resin, but interacts with only two SO3 ions, that is, the LaT ion is localized on the surface of the resin. The difference in F obtained from the heats of immersion into water was found to be useful as a simple and rapid criterion of the surface characteristics of the cation-exchange resins. 18 references, 4 figures, 1 table.

  9. Radiometric Determination of Uranium in Natural Waters after Enrichment and Separation by Cation-Exchange and Liquid-Liquid Extraction

    E-Print Network [OSTI]

    I. Pashalidis; H. Tsertos

    2003-04-28

    The alpha-radiometric determination of uranium after its pre-concentration from natural water samples using the cation-exchange resin Chelex-100, its selective extraction by tributylphosphate and electrodeposition on stainless steel discs is reported. The validity of the separation procedure and the chemical recoveries were checked by addition of uranium standard solution as well as by tracing with U-232. The average uranium yield was determined to be (97 +- 2) % for the cation-exchange, (95 +- 2) % for the liquid-liquid extraction, and more than 99% for the electrodeposition. Employing high-resolution alpha-spectroscopy, the measured activity of the U-238 and U-234 radioisotopes was found to be of similar magnitude; i.e. ~7 mBq/L and ~35 mBq/L for ground- and seawater samples, respectively. The energy resolution (FWHM) of the alpha-peaks was 22 keV, while the Minimum Detectable Activity (MDA) was estimated to be 1 mBq/L (at the 95% confidence limit).

  10. Highly Active Electrolytes for Rechargeable Mg Batteries Based on [Mg2(?-Cl)2]2+ Cation Complex in Dimethoxyethane

    SciTech Connect (OSTI)

    Cheng, Yingwen; Stolley, Ryan M.; Han, Kee Sung; Shao, Yuyan; Arey, Bruce W.; Washton, Nancy M.; Mueller, Karl T.; Helm, Monte L.; Sprenkle, Vincent L.; Liu, Jun; Li, Guosheng

    2015-01-01

    Highly active electrolytes based on a novel [Mg2(?-Cl)2]2+ cation complex for reversible Mg deposition were developed and analyzed in this work. These electrolytes were formulated in dimethoxyethane through dehalodimerization of non-nucleophilic MgCl2 by reacting with either Mg salts (such as Mg(TFSI)2, TFSI= bis(trifluoromethane)sulfonylimide) or Lewis acid salts (such as AlEtCl2 or AlCl3). The cation complex was identified for the first time as [Mg2(?-Cl)2(DME)4]2+ (DME=dimethoxyethane) and its molecular structure was characterized by single crystal X-ray diffraction, Raman spectroscopy and NMR. The electrolyte synthesis process was studied and rational approaches for formulating highly active electrolytes were proposed. Through control of the anions, electrolytes with efficiency close to 100%, wide electrochemical window (up to 3.5V) and high ionic conductivity (> 6 mS/cm) were obtained. The electrolyte synthesis and understandings developed in this work could bring significant opportunities for rational formulation of electrolytes with the general formula [Mg2(?-Cl)2(DME)4][anion]x for practical Mg batteries.

  11. Structure and Stability of Hexa-Aqua V(III) Cations in Vanadium Redox Flow Battery Electrolytes

    SciTech Connect (OSTI)

    Vijayakumar, M.; Li, Liyu; Nie, Zimin; Yang, Zhenguo; Hu, Jian Z.

    2012-05-09

    The Vanadium (III) cation structure in mixed acid based electrolyte solution from vanadium redox flow batteries were studied by 17O and 35/37Cl Nuclear Magnetic Resonance (NMR) spectroscopy, electronic spectroscopy and density functional theory (DFT) based computational modeling. Both computational and experimental results reveals that the V(III) species can complex with counter anions (sulfate/chlorine) 10 depend on the composition of its solvation sphere. By analyzing the powder precipitate it was found that the formation of sulfate complexed V(III) species is the crucial process in the precipitation reaction. The precipitation occurs through nucleation of neutral species formed through deprotonation and ion-pair formation process. However, the powder precipitate shows a multiphase nature which warrants multiple reaction pathways for precipitation reaction.

  12. Effects of pyrolysis conditions and ion-exchangeable cations on the thermal decomposition of a Victorian low-rank coal

    SciTech Connect (OSTI)

    Sathe, C.; Pang, Y.; Li, C.Z. [Monash Univ., Clayton, Victoria (Australia)

    1998-12-31

    A Loy Yang brown coal sample was acid-washed and ion-exchanged with Na and Ca to prepare the H-form, Na-form and Ca-form coal samples. These coal samples were pyrolyzed in a wire-mesh reactor where the extraparticle secondary reactions of the evolved volatiles were minimized. The ion-exchanged coal samples were found to give very different tar yields from those of the raw coal samples. The tar yields from the pyrolysis of the raw and H-form coal samples were observed to be very sensitive to changes in heating rate and the tar yields at 600 C were found to increase much more than the corresponding increases in the total volatile yields as the heating rate was increased from 1 to 1,000 K/s. In contrast, the tar yields from the Ca-form and Na-form coal samples showed little heating rate sensitivity. The heating rate sensitivity of pyrolysis yields is believed to be at least partly related to the presence of carboxyl/carboxylate groups and other bulky substitution groups in the coal as well as the rapid pressure buildup within the particles. Re-exchanging Na in the Na-form coal sample and Ca in the Ca-form coal sample with H confirmed the effects of Na and Ca, but also suggested that the irreversible structural changes taking place during ion-exchange should also be considered to evaluate the effects of ion-exchangeable cations during pyrolysis. The major roles of ion-exchangeable cations during pyrolysis are thought to be associated with the transformation of the alkali and alkaline earth metallic species. Some Ca was volatilized during pyrolysis, even at temperatures as low as 600 C.

  13. Influence of Cationic Precursors on CdS Quantum-Dot-Sensitized Solar Cell Prepared by Successive Ionic Layer Adsorption and

    E-Print Network [OSTI]

    Cao, Guozhong

    for QDSCs, CdS/CdSe-QD- cosensitized solar cells are most attractive and recently have been reportedInfluence of Cationic Precursors on CdS Quantum-Dot-Sensitized Solar Cell Prepared by Successive (QDs) onto porous oxide films for quantum-dot-sensitized solar cell (QDSC) applications. In this work

  14. Nanoprobe implantation into mammalian cells by cationic transfection Yan Zhao,a Bryce Sadtler,a Min Lin,b Gregory H. Hockermanb and Alexander Wei*a

    E-Print Network [OSTI]

    Wei, Alexander

    imaging.4 As part of our efforts to design nanoprobes as sensors for intracellular chemical transport, we and near-infrared light, and can serve as substrates for plasmon-enhanced spectroscopies such as surface. Cationic transfection was evaluated on tsA201 cells using three different systems (TransIT®-293, Gene

  15. Water Structure at the Air-Aqueous Interface of Divalent Cation and Nitrate Solutions Man Xu, Rick Spinney, and Heather C. Allen*

    E-Print Network [OSTI]

    Water Structure at the Air-Aqueous Interface of Divalent Cation and Nitrate Solutions Man Xu, Rick, Columbus, Ohio 43210 ReceiVed: July 24, 2008; ReVised Manuscript ReceiVed: December 4, 2008 The water surface structure of aqueous magnesium, calcium, and strontium nitrate solutions with six to seven water

  16. " 8. 1991, 113, 7461-7470 7461. a -.J. Am. Lnem. 3oc the results for the cation are at the geometry of the 12B, state

    E-Print Network [OSTI]

    Apeloig, Yitzhak

    energy loss spectrometer. Registry No. 1,3-Butadiene,106-99-0. Single-Crystal Molecular Structure be unambiguously assigned to the 22A, cation state. IV. Conclusions The energy-loss spectra of butadiene provide of butadiene other than the lowestsuch state, which is paired with the 5-eV anion state studied here. We

  17. Static and Dynamic Polarizabilities of Conjugated Molecules and Their Cations Stanley M. Smith, Alexei N. Markevitch,, Dmitri A. Romanov,,| Xiaosong Li,

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    Static and Dynamic Polarizabilities of Conjugated Molecules and Their Cations Stanley M. Smith molecules and their molecular ions for which no experimental values exist. Both static and frequency is much larger than the static polarizability. We have also compared the HF and PBE0 polarizabilities

  18. Crystal Structure and Cation Ordering in Fassaite from Type B CAI TS62B in Allende CV3. M. M. Haring1 R. L. Flemming1

    E-Print Network [OSTI]

    polished thin sec- tion were collected using a Hitachi SU6600 Field Emission Gun Scanning Electron X-ray Diffraction (XRD). From sin- gle crystal X-ray analysis, the fassaite was determined to haveCrystal Structure and Cation Ordering in Fassaite from Type B CAI TS62B in Allende CV3. M. M

  19. Microsolvation of the Water Cation in Argon: II. Infrared Photodissociation Spectra of H2O+-Arn (n ) 1-14)

    E-Print Network [OSTI]

    Maier, John Paul

    and do not obey statistical theories. Analysis of the spin-rotation constants indicates that the electromagnetic properties of the H2O+ cation in its 2B1 ground electronic state are not significantly affected-14) are assigned to OsH stretch fundamentals and their combination bands with the intermolecular HsAr stretch modes

  20. Identi cation of Doping Pro les in Semiconductor Devices Martin Burger , Heinz W. Engl , Peter A. Markowich y , Paola Pietra z

    E-Print Network [OSTI]

    Markowich, Peter A.

    criteria (cf. e.g. [29, 47, 48]) and in identifying relevant material properties (cf. [14, 21, 22, 23Identi#12;cation of Doping Pro#12;les in Semiconductor Devices Martin Burger #3; , Heinz W. Engl #3 in semiconductor devices. We develop a framework for these inverse doping problems with di#11;erent possible

  1. One-Photon Mass-Analyzed Threshold Ionization Spectroscopy of trans-and cis-1-C3H5Br: Ionization Energies and Vibrational Assignments for the Cations

    E-Print Network [OSTI]

    Kim, Myung Soo

    two-photon 1 + 1 scheme5 and ionized by pulsed electric field (pulsed field ionization, PFI is recorded that is virtually the vibration-rotation spectrum of the corresponding cation. Mass to spectral interpretation even though the irregularly spaced torsional overtones have not been observed

  2. Coverage Dependent Charge Reduction of Cationic Gold Clusters on Surfaces Prepared Using Soft Landing of Mass-selected Ions

    SciTech Connect (OSTI)

    Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

    2012-11-29

    The ionic charge state of monodisperse cationic gold clusters on surfaces may be controlled by selecting the coverage of mass-selected ions soft landed onto a substrate. Polydisperse diphosphine-capped gold clusters were synthesized in solution by reduction of chloro(triphenylphosphine)gold(I) with borane tert-butylamine in the presence of 1,3-bis(diphenylphosphino)propane. The polydisperse gold clusters were introduced into the gas phase by electrospray ionization and mass selection was employed to select a multiply charged cationic cluster species (Au11L53+, m/z = 1409, L = 1,3-bis(diphenylphosphino)propane) which was delivered to the surfaces of four different self-assembled monolayers on gold (SAMs) at coverages of 1011 and 1012 clusters/mm2. Employing the spatial profiling capabilities of in-situ time-of-flight secondary ion mass spectrometry (TOF-SIMS) it is shown that, in addition to the chemical functionality of the monolayer (as demonstrated previously: ACS Nano, 2012, 6, 573) the coverage of cationic gold clusters on the surface may be used to control the distribution of ionic charge states of the soft-landed multiply charged clusters. In the case of a 1H,1H,2H,2H-perfluorodecanethiol SAM (FSAM) almost complete retention of charge by the deposited Au11L53+ clusters was observed at a lower coverage of 1011 clusters/mm2. In contrast, at a higher coverage of 1012 clusters/mm2, pronounced reduction of charge to Au11L52+ and Au11L5+ was observed on the FSAM. When soft landed onto 16- and 11-mercaptohexadecanoic acid surfaces on gold (16,11-COOH-SAMs), the mass-selected Au11L53+ clusters exhibited partial reduction of charge to Au11L52+ at lower coverage and additional reduction of charge to both Au11L52+ and Au11L5+ at higher coverage. The reduction of charge was found to be more pronounced on the surface of the shorter (thinner) C11 than the longer (thicker) C16-COOH-SAM. On the surface of the 1-dodecanethiol (HSAM) monolayer, the most abundant charge state was found to be Au11L52+ at lower coverage and Au11L5+ at higher coverage, respectively. A coverage-dependent electron tunneling mechanism is proposed to account for the observed reduction of charge of mass-selected multiply charged gold clusters soft landed on SAMs. The results demonstrate that one of the critical parameters that influence the chemical and physical properties of supported metal clusters, ionic charge state, may be controlled by selecting the coverage of charged species soft landed onto surfaces.

  3. Geothermometry At Clear Lake Area (Thompson, Et Al., 1992) | Open Energy

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View New PagesSustainable UrbanKentucky:Bore TechnologiesAssessmentOpen EnergyEnergyRocher,

  4. Geothermometry At Columbus Salt Marsh Area (Shevenell, Et Al., 2008) | Open

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View New PagesSustainable UrbanKentucky:Bore TechnologiesAssessmentOpen EnergyEnergyRocher,Energy

  5. Geothermometry At Fish Lake Valley Area (DOE GTP) | 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View New PagesSustainable UrbanKentucky:Bore TechnologiesAssessmentOpenFish Lake Valley Area (DOE

  6. Geothermometry At Gabbs Alkali Flat Area (Kratt, Et Al., 2008) | Open

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View New PagesSustainable UrbanKentucky:Bore TechnologiesAssessmentOpenFish Lake Valley AreaEnergy

  7. Geothermometry At Long Valley Caldera Geothermal Area (McKenzie &

    Open Energy Info (EERE)

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  8. Geothermometry At Long Valley Caldera Geothermal Area (Sorey, Et Al., 1991)

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  9. Geothermometry At Mt St Helens Area (Shevenell & Goff, 1995) | Open Energy

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  10. Geothermometry At Nevada Test And Training Range Area (Sabin, Et Al., 2004)

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  11. Geothermometry At Northern Basin & Range Region (Cole, 1983) | Open Energy

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  12. Geothermometry At Northern Basin & Range Region (Laney, 2005) | Open Energy

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  13. Geothermometry At Nw Basin & Range Region (Laney, 2005) | Open Energy

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  14. Geothermometry At Nw Basin & Range Region (Shevenell & De Rocher, 2005) |

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  15. Geothermometry At Reese River Area (Henkle & Ronne, 2008) | Open Energy

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  16. Geothermometry At Salt Wells Area (Henkle, Et Al., 2005) | Open Energy

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  17. Geothermometry At Socorro Mountain Area (Owens, Et Al., 2005) | Open Energy

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  18. Geothermometry At Teels Marsh Area (Coolbaugh, Et Al., 2006) | Open Energy

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  19. Geothermometry At Teels Marsh Area (Shevenell, Et Al., 2008) | Open Energy

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  20. Geothermometry At U.S. Midwest Region (Vugrinovich, 1987) | Open Energy

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  1. Geothermometry At Upper Hot Creek Ranch Area (Benoit & Blackwell, 2006) |

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  2. Geothermometry At Walker-Lane Transitional Zone Region (Laney, 2005) | Open

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  3. Geothermometry At Walker-Lane Transitional Zone Region (Shevenell & De

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  4. Geothermometry At Desert Queen Area (Garchar & Arehart, 2008) | Open Energy

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  5. Geothermometry At Mt Princeton Hot Springs Geothermal Area (Pearl, Et Al.,

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  6. Geothermometry At Neal Hot Springs Geothermal Area (U.S. Geothermal Inc.,

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  7. Geothermometry At Rhodes Marsh Area (Coolbaugh, Et Al., 2006) | Open Energy

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  8. Geothermometry At Rhodes Marsh Area (Shevenell, Et Al., 2008) | Open Energy

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  9. Geothermometry At Salt Wells Area (Coolbaugh, Et Al., 2006) | Open Energy

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  10. Geothermometry At Salt Wells Area (Edmiston & Benoit, 1984) | Open Energy

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  11. The ionic conductivity and local environment of cations in Bi{sub 9}ReO{sub 17}

    SciTech Connect (OSTI)

    Thompson, M. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Herranz, T.; Santos, B.; Marco, J.F. [Instituto de Quimica-Fisica 'Rocasolano', Consejo Superior de Investigaciones Cientificas, Serrano 119, 28006 Madrid (Spain); Berry, F.J. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Greaves, C., E-mail: c.greaves@bham.ac.u [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

    2010-09-15

    The influence of temperature on the structure of Bi{sub 9}ReO{sub 17} has been investigated using differential thermal analysis, variable temperature X-ray diffraction and neutron powder diffraction. The material undergoes an order-disorder transition at {approx}1000 K on heating, to form a fluorite-related phase. The local environments of the cations in fully ordered Bi{sub 9}ReO{sub 17} have been investigated by Bi L{sub III}- and Re L{sub III}-edge extended X-ray absorption fine structure (EXAFS) measurements to complement the neutron powder diffraction information. Whereas rhenium displays regular tetrahedral coordination, all bismuth sites show coordination geometries which reflect the importance of a stereochemically active lone pair of electrons. Because of the wide range of Bi-O distances, EXAFS data are similar to those observed for disordered structures, and are dominated by the shorter Bi-O bonds. Ionic conductivity measurements indicate that ordered Bi{sub 9}ReO{sub 17} exhibits reasonably high oxide ion conductivity, corresponding to 2.9x10{sup -5} {Omega}{sup -1} cm{sup -1} at 673 K, whereas the disordered form shows higher oxide ion conductivity (9.1x10{sup -4} {Omega}{sup -1} cm{sup -1} at 673 K). - Graphical abstract: The structure of Bi{sub 9}ReO{sub 17} is discussed and related to the ionic conductivity of the ordered and disordered forms.

  12. The use Na, Li, K cations for modification of ZSM-5 zewolite to control hydrocarbon cold-start emission

    SciTech Connect (OSTI)

    Golubeva V.; Rohatgi U.; Korableva, A.; Anischenko, O.; Kustov, L.; Nissenbaum, V; Viola, M.B.

    2012-08-29

    This paper addresses the problem of controlling hydrocarbon emissions from cold-start of engines by investigating the adsorbents which could adsorb the hydrocarbons at cold temperatures and hold them to 250-300 ?. The materials, that has been studied, are based on the modification of ZSM-5 (SiO{sub 2}/Al{sub 2}O{sub 3} = 35) zeolite with Li, K, Na cations. It has been shown that the introduction of Li, Na and K in an amount that is equivalent to the content of Al in zeolite results in occurrence of toluene temperature desorption peaks at high-temperatures. The toluene temperature desorption curves for 5%Li-ZSM-5 and 2.3%Na-ZSM-5 zeolites are identical and have peak toluene desorption rate between 200 to 400 ?. Upon analysis of toluene adsorption isotherms for 2.3%Na-ZSM-5 and 5%Li-ZSM-5, it was concluded that the toluene diffusion inside of the modified zeolites channels is extremely slow and the sorption capacity of 2.3%Na-ZSM-5 is higher than with 5%Li-ZSM-5. The 2.3%Na-ZSM-5 didn't change toluene temperature programmed desorption (TPD) rate of curve after the treatment in environment with 10% ?{sub 2}? at 750-800 ? for about 28 h. The 2.3%Na-ZSM-5 zeolite is very promising as adsorbent to control the cold-start hydrocarbon emissions.

  13. Combined Utilization of Cation Exchanger and Neutral Receptor to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts

    SciTech Connect (OSTI)

    Levitskaia, Tatiana G.; Lumetta, Gregg J.; Moyer, Bruce A.

    2004-03-29

    In this report, novel approaches to the selective liquid-liquid extraction separation of sodium hydroxide and sodium nitrate from high-level alkaline tank waste will be discussed. Sodium hydroxide can be successfully separated from alkaline tank-waste supernatants by weakly acidic lipophilic hydroxy compounds via a cation-exchange mechanism referred to as pseudo hydroxide extraction. In a multi-cycle process, as sodium hydroxide in the aqueous phase becomes depleted, it is helpful to have a neutral sodium receptor in the extraction system to exploit the high nitrate concentration in the waste solution to promote sodium removal by an ion-pair extraction process. Simultaneous utilization of an ionizable organic hydroxy compound and a neutral extractant (crown ether) in an organic phase results in the synergistic enhancement of ion exchange and improved separation selectivity due to the receptor's strong and selective sodium binding. Moreover, combination of the hydroxy compound and the crown ether provides for mutually increased solubility, even in a non-polar organic solvent. Accordingly, application of Isopar{reg_sign} L, a kerosene-like alkane solvent, becomes feasible. This investigation involves examination of such dual-mechanism extraction phases for sodium extraction from simulated and actual salt cake waste solutions. Sodium salts can be regenerated upon the contact of the loaded extraction phases with water. Finally, conditions of potential extraction/strip cycling will be discussed.

  14. Warm white light emitting ThO{sub 2}:Sm{sup 3+} nanorods: Cationic surfactant assisted reverse micellar synthesis and Photoluminescence properties

    SciTech Connect (OSTI)

    Gupta, Santosh K.; Gupta, Ruma; Natarajan, V.; Godbole, S.V.

    2014-01-01

    Graphical abstract: - Highlights: • ThO{sub 2}:Sm{sup 3+} nanoparticles have been synthesized using cationic surfactant assisted reverse micellar route. • HRTEM shows the formation of thoria nanorods. • Photoluminescence investigation shows host as well as samarium ion emission. • Time resolved fluorescence spectroscopy shows the presence of two types of samarium ion in thoria host. - Abstract: Sm{sup 3+} activated thorium oxide nanorods were synthesized by cationic surfactant assisted reverse micellar route. Phase purity, morphological and luminescent properties were investigated by X-ray diffraction, high resolution transmission electron microscopy and photoluminescence spectroscopy. Upon UV light excitation (245 nm), ThO{sub 2}:Sm{sup 3+} exhibited host emission at 447 nm, along with characteristic emission lines of Sm{sup 3+} at 569, 609, 662 and 716 nm. Lifetime spectroscopy shows the presence of two types of Sm{sup 3+} (? = 1.1 ms and 4.9 ms) with different asymmetric ratios.

  15. 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

    2014-09-28

    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.

  16. A comparative study of optical absorption and photocatalytic properties of nanocrystalline single-phase anatase and rutile TiO{sub 2} doped with transition metal cations

    SciTech Connect (OSTI)

    Kernazhitsky, L.; Shymanovska, V.; Gavrilko, T.; Naumov, V.; Kshnyakin, V.; Khalyavka, T.

    2013-02-15

    The effect of nanocrystalline TiO{sub 2} doping with transition metal cations (Cu{sup 2+}, Fe{sup 3+}, Co{sup 2+}, Cr{sup 3+}) on their optical absorption and photocatalytic properties was investigated. The obtained metal-doped TiO{sub 2} samples were characterized by X-ray diffraction, scanning electron microscopy, and UV-vis absorption spectroscopy. It is shown that doping effect on anatase (A) and rutile (R) properties is quite different, being much stronger and complicated on A than on R. Contrary to doped R, doped A revealed a significant red shift of the absorption edge along with the band gap narrowing. Photocatalytic activity of anatase increases upon doping in the order: AR/Co>R/Cu>R/Fe>R/Cr, indicating the inhibitory effect of impurity cations. This fact correlates with the decrease in the UV absorption of the doped rutile in the region of the Hg-lamp irradiation at 4.88 eV. - Graphical abstract: A red shift of the absorption edge of nanocrystalline single-phase anatase after doping with transition metal cations. Highlights: Black-Right-Pointing-Pointer Single-phase anatase and rutile powders surface-doped with transition metal cations. Black-Right-Pointing-Pointer Absorption edge and band gap of rutile do not change with surface doping. Black-Right-Pointing-Pointer Band gap of surface-doped anatase reduces being the lowest for A/Fe. Black-Right-Pointing-Pointer The surface-doping improves photocatalytic activity of anatase. Black-Right-Pointing-Pointer The surface-doping inhibits photocatalytic activity of rutile.

  17. Pt/[Fe]ZSM-5 modified by Na and Cs cations: an active and selective catalyst for dehydrogenation of n-alkanes to n-alkenes

    E-Print Network [OSTI]

    Iglesia, Enrique

    catalytic dehydrogenation of n-alkanes to n-alkenes. Cs and Na cations titrate acid sites and inhibit with [(NH3)4Pt](NO3)2 solutions (6.25 6 1025 M; Aldrich, 99.995%) for 12 h at 353 K, filtered, washed with deionized water, and treated in flowing dry air (1.67 cm3 s21 ) for 12 h at 723 K (0.017 K s21

  18. Biomass production, forage quality, and cation uptake of Quail bush, four-wing saltbush, and seaside barley irrigated with moderately saline-sodic water

    SciTech Connect (OSTI)

    Bauder, J.W.; Browning, L.S.; Phelps, S.D.; Kirkpatrick, A.D. [Montana State University, Bozeman, MT (United States)

    2008-07-01

    The study reported here investigated capacity of Atriplex lentiformis (Torr.) S. Wats. (Quail bush), Atriplex X aptera A. Nels. (pro sp.) (Wytana four-wing saltbush), and Hordeum marinum Huds. (seaside barley) to produce biomass and crude protein and take up cations when irrigated with moderately saline-sodic water, in the presence of a shallow water table. Water tables were established at 0.38, 0.76, and 1.14m below the surface in sand-filled columns. The columns were then planted to the study species. Study plants were irrigated for 224 days; irrigation water was supplied every 7 days equal to water lost to evapotranspiration (ET) plus 100mL (the volume of water removed in the most previous soil solution sampling). Water representing one of two irrigation sources was used: Powder River (PR) or coalbed natural gas (CBNG) wastewater. Biomass production did not differ significantly between water quality treatments but did differ significantly among species and water table depth within species. Averaged across water quality treatments, Hordeum marinum produced 79% more biomass than A. lentiformis and 122% more biomass than Atriplex X aptera, but contained only 11% crude protein compared to 16% crude protein in A. lentiformis and 14% crude protein in Atriplex X aptera. Atriplex spp. grown in columns with the water table at 0.38m depth produced more biomass, took up less calcium on a percentage basis, and took up more sodium on a percentage basis than when grown with the water table at a deeper depth. Uptake of cations by Atriplex lentiformis was approximately twice the uptake of cations by Atriplex X aptera and three times that of H. marinum. After 224 days of irrigation, crop growth, and cation uptake, followed by biomass harvest, EC and SAR of shallow groundwater in columns planted to A. lentiformis were less than EC and SAR of shallow ground water in columns planted to either of the other species.

  19. Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Toman, Petr; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and -activity measurements, the exchange extraction constant corresponding to the equilibrium Tl+ (aq) + 1 Cs+ (org) 1 Tl+ (org) + Cs+ (aq) taking place in the two-phase water phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as log Kex (Tl+, 1 Cs+) = 1.7 0.1. Further, the extraordinarily high stability constant of the 1 Tl+ complex in FS 13 saturated with water was calculated for a temperature of 25 C: log org(1 Tl+) = 13.1 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1 Tl+ was derived. In the resulting 1 Tl+ complex, the central cation Tl+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent receptor 1 via cation interaction.

  20. Influence of cationic substitutions on the first charge and reversible capacities of lithium-rich layered oxide cathodes

    SciTech Connect (OSTI)

    Wang, Chih-Chieh; Manthiram, Arumugam

    2013-06-24

    The reversible capacity values of lithium-rich layered oxide cathodes depend on the length (capacity) of the plateau region during the first charge. With an aim to understand the factors that control the length of the plateau region and thereby enhance the reversible capacity, the effects of various cationic substitutions in Li1.2Mn0.6Ni0.2O2 have been investigated systematically. Specifically, substitutions of (i) M3+ = Al3+, Cr3+, Fe3+, Co3+, and Ga3+ for equal amounts of Mn4+and Ni2+ in Li1.2Mn0.6-0.5xNi0.2-0.5xMxO2 with x = 0.06, 0.13, and 0.2, (ii) Ti4+ for Mn4+ in Li1.2Mn0.6-xTixNi0.2O2 with x = 0.025, 0.05, and 0.1, and (iii) Mg2+ for Ni2+ in Li1.2Mn0.6Ni0.2-xMgxO2 with x = 0.025, 0.05, and 0.1 have been investigated. The cationic substitutions affect the first charge capacity values both in the sloping region corresponding to the oxidation of the transition-metal ions to the 4+ state and in the plateau region corresponding to the oxidation of O2- ions to O2 and/or transition-metal ions beyond 4+, which control the reversible capacity values in subsequent cycles. While the changes in the sloping-region capacity could be readily understood by considering the redox activities of the transition-metal ions, the plateau-region capacity is found to depend sensitively on the metal–oxygen covalence, which is dictated by the relative positions of the metal:3d band with respect to the top of the O2-:2p band, and electron delocalization. For instance, an overlap of the Co3+/4+:t2g band with the top of the O2-:2p band along with a partially filled t 2g band across the shared octahedral edges makes the oxygen loss from the lattice and/or oxidation beyond 4+ much more facile.

  1. Unraveling the voltage fade mechanism in layer Li-Mn-rich electrode: formation of the tetrahedral cations for spinel conversion

    SciTech Connect (OSTI)

    Mohanty, Debasish [ORNL; Li, Jianlin [ORNL; Abraham, Daniel P [Argonne National Laboratory (ANL); Huq, Ashfia [ORNL; Payzant, E Andrew [ORNL; Wood III, David L [ORNL; Daniel, Claus [ORNL

    2014-01-01

    Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li1.2Mn0.55Ni0.15Co0.1O2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxide occurs through a tetrahedral cation intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(LiLioct LiLitet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [LiTM oct LiLitet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [MnTMoct MnLitet MnLioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.

  2. The cyclopropyl cation 

    E-Print Network [OSTI]

    Hampton, Loyd Ernest

    1969-01-01

    . , ~99' 1 (1932) ~ NHH N N02 H01, HHO CH2=CH-CH2-OH studying the phenolysis of various l, l-dichlorooyclopro- panes (Q) in phenol-sodium phenoxide solutions, G. C. Robin- son found no evidence for products containing a cyclo- prooane. The products...

  3. Classi cation Precipitation

    E-Print Network [OSTI]

    Langford, John

    on future inputs #12; rain snow 0 0.2 0.4 0.6 0.8 1 Precipitation Temperature Unknown Function Samples Training Sample #12; rain snow 0 0.2 0.4 0.6 0.8 1 1.2 1.4 Precipitation Temperature Learned Function (Classifier) guess 1 guess 2 guess 3 #12; rain snow 0 0.2 0.4 0.6 0.8 1 Precipitation Temperature Future

  4. Selectivity Control in Synergistic Liquid-Liquid Anion Exchange of Univalent Anions via Structure-Specific Cooperativity between Quaternary Ammonium Cations and Anion Receptors

    SciTech Connect (OSTI)

    Borman, Christopher J; Bonnesen, Peter V; Moyer, Bruce A

    2012-01-01

    Two anion receptors enhance liquid-liquid anion exchange when added to quaternary alkylammonium chloride anion exchangers, but with a striking dependence upon the structure of the alkylammonium cation. Two anion receptors were investigated, meso-octamethylcalix[4]pyrrole (C4P) and the bisthiourea tweezer 1,1'-(propane-1,3-diyl)bis(3-(4-sec-butylphenyl)thiourea (BTU). C4P has the unique ability in its cone anion-binding conformation to accept an appropriately sized electropositive species in the resulting cup formed by its four electron-rich pyrrole groups, while BTU is not expected to be predisposed for a specific host-guest interaction with the quaternary ammonium cations. It was therefore hypothesized that synergism between C4P and methyltri(C8,10)alkylammonium chloride (Aliquat 336) would be uniquely pronounced owing to insertion of the methyl group of the Aliquat cation into the C4P cup, and we present herein data supporting this expectation. While synergism is comparatively weak for both exchangers with the BTU receptor, synergism between C4P and Aliquat 336 is indeed so strong that anion exchange prefers chloride over more extractable nitrate and trifluoroacetate, effectively overcoming the ubiquitous Hofmeister bias. A thermochemical analysis of synergistic anion exchange has been provided for the first time, unraveling the observed selectivity behavior and resulting in the estimation of binding constants for C4P with the ion pairs of A336+ with Cl , Br , OAcF3 , NO3 , and I . The uniquely strong positive cooperativity between A336 and C4P underscores the advantage of a supramolecular approach in the design of synergistic anion exchange systems.

  5. Photoionization of cold gas phase coronene and its clusters: Autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation

    SciTech Connect (OSTI)

    Bréchignac, Philippe, E-mail: philippe.brechignac@u-psud.fr; Falvo, Cyril; Parneix, Pascal; Pino, Thomas; Pirali, Olivier [Institut des Sciences Moléculaires d’Orsay, CNRS UMR8214, Univ Paris-Sud, F-91405 Orsay (France); Garcia, Gustavo A.; Nahon, Laurent [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, B.P. 48, F-91192 Gif-sur-Yvette (France); Joblin, Christine; Kokkin, Damian; Bonnamy, Anthony [IRAP, Université de Toulouse 3 - CNRS, 9 Av. Colonel Roche, B.P. 44346, F-31028 Toulouse Cedex 4 (France); Mulas, Giacomo [INAF - Osservatorio Astronomico di Cagliari, via della scienza 5, I-09047 Selargius (Italy)

    2014-10-28

    Polycyclic aromatic hydrocarbons (PAHs) are key species encountered in a large variety of environments such as the Interstellar Medium (ISM) and in combustion media. Their UV spectroscopy and photodynamics in neutral and cationic forms are important to investigate in order to learn about their structure, formation mechanisms, and reactivity. Here, we report an experimental photoelectron-photoion coincidence study of a prototypical PAH molecule, coronene, and its small clusters, in a molecular beam using the vacuum ultraviolet (VUV) photons provided by the SOLEIL synchrotron facility. Mass-selected high resolution threshold photoelectron (TPES) and total ion yield spectra were obtained and analyzed in detail. Intense series of autoionizing resonances have been characterized as originating from the monomer, dimer, and trimer neutral species, which may be used as spectral fingerprints for their detection in the ISM by VUV absorption spectroscopy. Finally, a full description of the electronic structure of the monomer cation was made and discussed in detail in relation to previous spectroscopic optical absorption data. Tentative vibrational assignments in the near-threshold TPES spectrum of the monomer have been made with the support of a theoretical approach based on density functional theory.

  6. SrAu4In4 and Sr4Au9In13: Polar Intermetallic Structures with Cations in Augmented Hexagonal Prismatic Environments

    SciTech Connect (OSTI)

    Palasyuk, A.; Dai, J.C.; Corbett, J.

    2008-03-11

    The title compounds were synthesized via high-temperature reactions of the elements in welded Ta tubes and characterized by single-crystal X-ray diffraction analyses and band structure calculations. SrAu{sub 3.76(2)}In{sub 4.24} crystallizes in the YCo{sub 5}In{sub 3} structure type with two of eight network sites occupied by mixtures of Au and In: Pnma, Z = 4, a = 13.946(7), b = 4.458(2), c = 12.921(6) {angstrom}. Its phase breadth appears to be small. Sr{sub 4}Au{sub 9}In{sub 13} exhibits a new structure type, P{sub 6}m2, Z = 1, a = 12.701(2), c = 4.4350(9) {angstrom}. The Sr atoms in both compounds center hexagonal prisms of nominally alternating In and Au atoms and also have nine augmenting (outer) Au + In atoms around their waists so as to define 21-vertex Sr{at}Au{sub 9}M{sub 4}In{sub 8} (M = Au/In) and Sr{at}Au{sub 9}In{sub 12} polyhedra, respectively. The relatively larger Sr content in the second phase also leads to condensation of some of the ideal building units into trefoil-like cages with edge-shared six-member rings. One overall driving force for the formation of these structures can be viewed as the need for each Sr cation to have as many close neighbors as possible in the more anionic Au-In network. The results also depend on the cation size as well as on the flexibility of the anionic network and an efficient intercluster condensation mode as all clusters are shared. Band structure calculations (LMTO-ASA) emphasize the greater strengths (overlap populations) of the Au-In bonds and confirm expectations that both compounds are metallic.

  7. Novel chemically stable Ba3Ca1.18Nb1.82-xYxO9- proton conductor: improved proton conductivity through tailored cation ordering

    SciTech Connect (OSTI)

    Wang, Siwei; Chen, Yan; Fang, Shumin; Zhang, Lingling; Tang, Ming; An, Ke; Brinkman, Dr. Kyle S.; Chen, Fanglin

    2014-01-01

    Simple perovskite-structured proton conductors encounter significant challenges to simultaneously achieving excellent chemical stability and proton conductivity that are desirable for many important applications in energy conversion and storage. This work demonstrates that Y-doped complex-perovskite-structured Ba3Ca1.18Nb1.82 xYxO9 materials possess both improved proton conductivity and exceptional chemical stability. Neutron powder diffraction refinement revealed a Fm3 m perovskite-structure and increased oxygen vacancy concentration due to the Y doping. High-resolution TEM analysis confirmed the perturbation of the B site cation ordering in the structure for the Ba3Ca1.18Nb1.82 xYxO9 materials. Such combined effects led to improved proton conductivity with a value of 5.3 10 3 S cm 1 at 600 C for Ba3Ca1.18Nb1.52Y0.3O9 (BCNY0.3), a value 2.4 times higher compared with that of the undoped Ba3Ca1.18Nb1.82O9 . The Ba3Ca1.18Nb1.82 xYxO9 materials showed remarkable chemical stability toward water and demonstrated no observable reactions to CO2 exposure. Ionic transport number studies showed that BCNY0.3 had predominantly proton conduction below 600 C. Solid oxide fuel cells using BCNY0.3 as an electrolyte demonstrated cell power output of 103 mW cm 2 at 750 C. These results suggest that a doping strategy that tailors the cation ordering in complex perovskites provides a new direction in the search for novel proton conducting ceramics.

  8. Scandium induced structural transformation and B?:B? cationic ordering in Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} multiferroic ceramics

    SciTech Connect (OSTI)

    Mallesham, B.; Ranjith, R.; Manivelraja, M.

    2014-07-21

    The current study explores non-magnetic Sc{sup 3+} induced structural transformation, evolution of local B-site cation ordering and associated effect on ferroelectric phase transition temperature T{sub max} (temperature corresponding to dielectric maxima) on increasing the atom percent of Sc substitution in [Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} (PFN)] ceramics. In this regard, the phase pure Pb[(Fe{sub 0.5?x}Sc{sub x})Nb{sub 0.5}]O{sub 3} ceramics with x varying from 0 to 0.5 were synthesized through solid state reaction route. The detailed structural analysis through Rietveld refinement confirms the room temperature transformation from a monoclinic Cm to rhombohedral R3m structure at x?=?0.3?mol.?% of Sc. Absorption spectra studies show that there is a considerable increment in the bandgap at higher scandium content. Most interestingly, the T{sub max} exhibited an increment for lower scandium contents (x?=?0.1 to 0.25) followed by a drop in T{sub max} (x?=?0.3 to 0.5). Such anomalous behavior in T{sub max} is expected to arise due to the onset of B?, B? local cation ordering beyond Sc content x?=?0.25. The B-site cation ordering at and beyond x?=?0.3 was also confirmed by the evolution of cation order induced Pb-O coupled vibrational mode in Raman scattering studies. In addition, the Mössbauer spectra of PFN (x?=?0) and Pb(Fe{sub 0.4}Sc{sub 0.1}Nb{sub 0.5})O{sub 3} (x?=?0.1) are reported to verify the spin state and oxidation state of iron. The lattice distortion due to the radius ratio difference between a Sc{sup 3+} cation and Fe{sup 3+} cation in low spin state is responsible for the structural transformation, which in turn facilitates a B?:B? cation ordering.

  9. Propane ammoxidation over the Mo-V-Te-Nb-O M1 phase: Reactivity of surface cations in hydrogen abstraction steps

    SciTech Connect (OSTI)

    Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2011-01-01

    Density functional theory calculations (GGA-PBE) have been performed to investigate the adsorption of C3 (propane, isopropyl, propene, and allyl) and H species on the proposed active center present in the surface ab planes of the bulk Mo-V-Te-Nb-O M1 phase in order to better understand the roles of the different surface cations in propane ammoxidation. Modified cluster models were employed to isolate the closely spaced V=O and Te=O from each other and to vary the oxidation state of the V cation. While propane and propene adsorb with nearly zero adsorption energy, the isopropyl and allyl radicals bind strongly to V=O and Te=O with adsorption energies, {Delta}E, being {le} -1.75 eV, but appreciably more weakly on other sites, such as Mo=O, bridging oxygen (Mo-O-V and Mo-O-Mo), and empty metal apical sites ({Delta}E > -1 eV). Atomic H binds more strongly to Te = O ({Delta}E {le} -3 eV) than to all the other sites, including V = O ({Delta}E = -2.59 eV). The reduction of surface oxo groups by dissociated H and their removal as water are thermodynamically favorable except when both H atoms are bonded to the same Te=O. Consistent with the strong binding of H, Te=O is markedly more active at abstracting the methylene H from propane (E{sub a} {le} 1.01 eV) than V = O (E{sub a} = 1.70 eV on V{sup 5+} = O and 2.13 eV on V{sup 4+} = O). The higher-than-observed activity and the loose binding of Te = O moieties to the mixed metal oxide lattice of M1 raise the question of whether active Te = O groups are in fact present in the surface ab planes of the M1 phase under propane ammoxidation conditions.

  10. Vibrational spectra and structures of bare and Xe-tagged cationic Si{sub n}O{sub m}{sup +} clusters

    SciTech Connect (OSTI)

    Savoca, Marco; Langer, Judith; Dopfer, Otto, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de; Fielicke, André, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de [Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Harding, Dan J. [Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077 Göttingen (Germany); Palagin, Dennis; Reuter, Karsten [Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2014-09-14

    Vibrational spectra of Xe-tagged cationic silicon oxide clusters Si{sub n}O{sub m}{sup +} with n = 3–5 and m = n, n ± 1 in the gas phase are obtained by resonant infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations. The Si{sub n}O{sub m}{sup +} clusters are produced in a laser vaporization ion source and Xe complexes are formed after thermalization to 100 K. The clusters are subsequently irradiated with tunable light from an IR free electron laser and changes in the mass distribution yield size-specific IR spectra. The measured IRMPD spectra are compared to calculated linear IR absorption spectra leading to structural assignments. For several clusters, Xe complexation alters the energetic order of the Si{sub n}O{sub m}{sup +} isomers. Common structural motifs include the Si{sub 2}O{sub 2} rhombus, the Si{sub 3}O{sub 2} pentagon, and the Si{sub 3}O{sub 3} hexagon.

  11. Structure of phosphorus clusters using simulated annealing. II. P9, P1 0, P1 1, anions P2 4, P2 10, P3 11, and cations P+ n to n=11

    E-Print Network [OSTI]

    Structure of phosphorus clusters using simulated annealing. II. P9, P1 0, P1 1, anions P2 4, P2 10, P3 11, and cations P+ n to n=11 R. O. Jones and G. Seifert Citation: The Journal of Chemical Physics Jahn­Teller coupling in the tetrahedral 2 E ground states of P+ 4, As+ 4, and Sb+ 4 J. Chem. Phys. 93

  12. High affinity capture and concentration of quinacrine in polymorphonuclear neutrophils via vacuolar ATPase-mediated ion trapping: Comparison with other peripheral blood leukocytes and implications for the distribution of cationic drugs

    SciTech Connect (OSTI)

    Roy, Caroline; Gagné, Valérie; Fernandes, Maria J.G.; Marceau, François, E-mail: francois.marceau@crchul.ulaval.ca

    2013-07-15

    Many cationic drugs are concentrated in acidic cell compartments due to low retro-diffusion of the protonated molecule (ion trapping), with an ensuing vacuolar and autophagic cytopathology. In solid tissues, there is evidence that phagocytic cells, e.g., histiocytes, preferentially concentrate cationic drugs. We hypothesized that peripheral blood leukocytes could differentially take up a fluorescent model cation, quinacrine, depending on their phagocytic competence. Quinacrine transport parameters were determined in purified or total leukocyte suspensions at 37 °C. Purified polymorphonuclear leukocytes (PMNLs, essentially neutrophils) exhibited a quinacrine uptake velocity inferior to that of lymphocytes, but a consistently higher affinity (apparent K{sub M} 1.1 vs. 6.3 ?M, respectively). However, the vacuolar (V)-ATPase inhibitor bafilomycin A1 prevented quinacrine transport or initiated its release in either cell type. PMNLs capture most of the quinacrine added at low concentrations to fresh peripheral blood leukocytes compared with lymphocytes and monocytes (cytofluorometry). Accumulation of the autophagy marker LC3-II occurred rapidly and at low drug concentrations in quinacrine-treated PMNLs (significant at ? 2.5 ?M, ? 2 h). Lymphocytes contained more LAMP1 than PMNLs, suggesting that the mass of lysosomes and late endosomes is a determinant of quinacrine uptake V{sub max}. PMNLs, however, exhibited the highest capacity for pinocytosis (uptake of fluorescent dextran into endosomes). The selectivity of quinacrine distribution in peripheral blood leukocytes may be determined by the collaboration of a non-concentrating plasma membrane transport mechanism, tentatively identified as pinocytosis in PMNLs, with V-ATPase-mediated concentration. Intracellular reservoirs of cationic drugs are a potential source of toxicity (e.g., loss of lysosomal function in phagocytes). - Highlights: • Quinacrine is concentrated in acidic organelles via V-ATPase-mediated ion trapping. • Human peripheral blood leukocytes capture and concentrate quinacrine. • Polymorphonuclear leukocytes do so with higher apparent affinity. • Polymorphonuclear are also more competent than lymphocytes for pinocytosis.

  13. Nanoscale Phase Separation, Cation Ordering, and Surface Oxygen Chemistry in Pristine Li1.2Ni0.2Mn0.6O2 for Li-Ion Batteries

    SciTech Connect (OSTI)

    Gu, Meng; Genc, Arda; Belharouak, Ilias; Wang, Dapeng; Amine, Khalil; Thevuthasan, Suntharampillai; Baer, Donald R.; Zhang, Jiguang; Browning, Nigel D.; Liu, Jun; Wang, Chong M.

    2013-05-14

    Li-rich layered material Li1.2Ni0.2Mn0.6O2 possesses high voltage and high specific capacity, which makes it an attractive candidate for the transportation industry and sustainable energy storage systems. The rechargeable capacity of the Li-ion battery is linked largely to the structural stability of the cathode materials during the charge-discharge cycles. However, the structure and cation distribution in pristine (un-cycled) Li1.2Ni0.2Mn0.6O2 have not yet been fully characterized. Using a combination of aberration-corrected scanning/transmission electron microscopy, X-ray dispersive energy spectroscopy (XEDS), electron energy loss spectroscopy (EELS), and complementary multislice image simulation, we have probed the crystal structure, cation/anion distribution, and electronic structure of Li1.2Ni0.2Mn0.6O2 nanoparticle. We discovered that the electronic structure and valence state of transition metal ions show significant variations, which have been identified to be attributed to the oxygen deficiency near the particle surfaces. Characterization of the nanoscale phase separation and cation ordering in the pristine material are critical for understanding the capacity and voltage fading of this material for battery application.

  14. inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    SciTech Connect (OSTI)

    Ridley, Mora K.; Hiemstra, T; Van Riemsdijk, Willem H.; Machesky, Michael L.

    2009-01-01

    Acid base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multicomponent mineral aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488 508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca2+ and Sr2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 110 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Pr edota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Be ne zeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile water interface: linking molecular and macroscopic properties. Langmuir 20, 4954 4969]. Our CD modeling results are consistent with these adsorbed configurations provided adsorbed cation charge is allowed to be distributed between the surface (0-plane) and Stern plane (1-plane). Additionally, a complete description of our titration data required inclusion of outer-sphere binding, principally for Cl which was common to all solutions, but also for Rb+ and K+. These outer-sphere species were treated as point charges positioned at the Stern layer, and hence determined the Stern layer capacitance value. The modeling results demonstrate that a multi-component suite of experimental data can be successfully rationalized within a CD and MUSIC model using a Stern-based description of the EDL. Furthermore, the fitted CD values of the various inner-sphere complexes of the mono- and divalent ions can be linked to the microscopic structure of the surface complexes and other data found by spectroscopy as well as molecular dynamics (MD). For the Na+ ion, the fitted CD value points to the presence of bidenate inner-sphere complexation as suggested by a recent MD study. Moreover, its MD dominance quantitatively agrees with the CD model prediction. For Rb+, the presence of a tetradentate complex, as found by spectroscopy, agreed well with the fitted CD and its predicted presence was quantitatively in very good agreement with the amount found by spectroscopy.

  15. Site occupancy and cation binding states in reduced polycrystalline Sr{sub x}Ba{sub 1?x}Nb{sub 2}O{sub 6}

    SciTech Connect (OSTI)

    Dandeneau, Christopher S., E-mail: dandec@u.washington.edu; Yang, YiHsun; Ohuchi, Fumio S. [Department of Materials Science and Engineering, University of Washington, Seattle, Washington 98195 (United States)] [Department of Materials Science and Engineering, University of Washington, Seattle, Washington 98195 (United States); Krueger, Benjamin W.; Olmstead, Marjorie A. [Department of Physics, University of Washington, Seattle, Washington 98195 (United States)] [Department of Physics, University of Washington, Seattle, Washington 98195 (United States); Bordia, Rajendra K. [Department of Materials Science and Engineering, Clemson University, Clemson, South Carolina 29634 (United States)] [Department of Materials Science and Engineering, Clemson University, Clemson, South Carolina 29634 (United States)

    2014-03-10

    Site occupancy and cation binding states in the proposed thermoelectric n-type oxide Sr{sub x}Ba{sub 1?x}Nb{sub 2}O{sub 6} (SBN100x) were investigated using X-ray photoelectron spectroscopy (XPS). Sr 3d XPS spectra from unreduced polycrystalline SBN100x with various compositions contained two distinct spin-orbit doublets corresponding to Sr occupying either A1 or A2 positions in the SBN lattice; the higher binding energy state was associated with Sr ions at A2 sites, presumably due to their increased coordination over Sr at A1 sites. To gain insight into optimizing the thermoelectric properties of reduced SBN, sintered SBN50 specimens were reduced in Ar/H{sub 2} or N{sub 2}/H{sub 2} ambient. A decrease in the average Nb valence was observed in Nb 3d photoemission through the growth of low-binding energy components after reduction in either environment; evidence of surface NbN formation was apparent with longer reducing times in N{sub 2}/H{sub 2}. Both the single-component Ba 3d emission and the A2 component of the Sr 3d spectra show shifting to lower binding energy as the reduction time is increased, supporting the hypothesis of preferential oxygen vacancy formation adjacent to A2 sites. X-ray diffraction patterns revealed the formation of NbO{sub 2} in both reducing environments; in the case of extended reduction in N{sub 2}/H{sub 2}, NbO{sub 2} is gradually converted to NbN phases. Given the known properties of metallic NbN and semiconducting NbO{sub 2}, the findings obtained here may be used to maximize the thermoelectric performance of SBN via the fabrication of composite structures containing both NbO{sub 2} and NbN.

  16. Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

    SciTech Connect (OSTI)

    Pokorna, Sarka; Jurkiewicz, Piotr; Hof, Martin; Vazdar, Mario; Cwiklik, Lukasz; Jungwirth, Pavel

    2014-12-14

    Time-dependent fluorescence shift (TDFS) of Laurdan embedded in phospholipid bilayers reports on hydration and mobility of the phospholipid acylgroups. Exchange of H{sub 2}O with D{sub 2}O prolongs the lifetime of lipid-water and lipid-water-lipid interactions, which is reflected in a significantly slower TDFS kinetics. Combining TDFS measurements in H{sub 2}O and D{sub 2}O hydrated bilayers with atomistic molecular dynamics (MD) simulations provides a unique tool for characterization of the hydrogen bonding at the acylgroup level of lipid bilayers. In this work, we use this approach to study the influence of fluoride anions on the properties of cationic bilayers composed of trimethylammonium-propane (DOTAP). The results obtained for DOTAP are confronted with those for neutral phosphatidylcholine (DOPC) bilayers. Both in DOTAP and DOPC H{sub 2}O/D{sub 2}O exchange prolongs hydrogen-bonding lifetime and does not disturb bilayer structure. These results are confirmed by MD simulations. TDFS experiments show, however, that for DOTAP this effect is cancelled in the presence of fluoride ions. We interpret these results as evidence that strongly hydrated fluoride is able to steal water molecules that bridge lipid carbonyls. Consequently, when attracted to DOTAP bilayer, fluoride disrupts the local hydrogen-bonding network, and the differences in TDFS kinetics between H{sub 2}O and D{sub 2}O hydrated bilayers are no longer observed. A distinct behavior of fluoride is also evidenced by MD simulations, which show different lipid-ion binding for Cl{sup ?} and F{sup ?}.

  17. Captura de cationes traza, va dilucin de cationes mayoritarios

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    continuo, electrodos de pH y CE pH CE Datalogger Solución Columna Electrodos #12;3. Experimentación ­ lab Solución Columna Electrodos #12;3. Experimentación Uso de la reacción de intercambio: X-H + NaCl --> X

  18. High cation transport polymer electrolyte

    DOE Patents [OSTI]

    Gerald, II, Rex E. (Brookfield, IL); Rathke, Jerome W. (Homer Glen, IL); Klingler, Robert J. (Westmont, IL)

    2007-06-05

    A solid state ion conducting electrolyte and a battery incorporating same. The electrolyte includes a polymer matrix with an alkali metal salt dissolved therein, the salt having an anion with a long or branched chain having not less than 5 carbon or silicon atoms therein. The polymer is preferably a polyether and the salt anion is preferably an alkyl or silyl moiety of from 5 to about 150 carbon/silicon atoms.

  19. Identi cation of Physical Models

    E-Print Network [OSTI]

    models. Also the applications on the real systems represent new work in their respective elds. Lyngby Lillelund and Elbert Hendricks are thanked for their support during data collection from a car engine Components and Systems Testing, on testing of building components related to passive solar energy

  20. Four homochiral coordination polymers contain N-acetyl-L-tyrosine and different N-donor ligand: Influence of metal cations, ancillary ligands and coordination modes

    SciTech Connect (OSTI)

    Li, Meng-Li; Song, Hui-Hua

    2013-10-15

    Using the chiral ligand N-acetyl-L-tyrosine (Hacty) and maintaining identical reaction conditions, Zn(II), Co(II), and Cd(II) salts provided four novel homochiral coordination polymers ([Zn(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]·NO{sub 3}·2H{sub 2}O){sub n}1, ([Co(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]·NO{sub 3}·2H{sub 2}O){sub n}2, ([Cd(acty){sub 2}(bipy)H{sub 2}O]·H{sub 2}O){sub n}3, and ([Cd(acty)(bpe){sub 2}(Ac)]·6H{sub 2}O){sub n}4 (bipy=4,4?-bipyridine; bpe=1,2-di(4-pyridyl)ethane) in the presence of ancillary ligands. Compounds 1 and 2 are isostructural 1D chain structures. The neighboring chains are further linked into a 3D supramolecular structure via ??? stacking and hydrogen bond interactions. Compound 3 shows a 2D network and 4 generates 1D infinite chains along the c-axis. Compounds 3 and 4 are further connected into 3D supramolecular network by hydrogen bond interactions. More importantly, coordination in acyl oxygen atoms and ancillary ligands (bpe) as monodentate decorating ligands in 4 are rarely reported. Ancillary ligands and metal cations significantly influence the structure of the complexes. The photoluminescence properties of 1, 3, and 4 were studied at room temperature. Circular dichroism (CD) of the complexes have been investigated. - Graphical abstract: Four new homochiral coordination polymers were prepared and structurally characterized, which investigate the influence of the ancillary ligands and metal ions on the design and synthesis of coordination polymers. Display Omitted - Highlights: • It is rarely reported that the chiral coordination polymers prepared with N-acetyl-L-tyrosine ligands. • The alkalescent acetyl oxygen atom is difficult to participate in coordination but it is happened in the N-acetyl-L-tyrosine ligands. • The ancillary ligands (4,4?-bipy and bpe) are present in an unusual coordination modes, monodentate decorating ligands in 1, 2 and 4. • Structure comparative analyses results indicate that the secondary ligands and metal ions influence the fabrication of these inorganic–organic arrangements.

  1. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

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

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles methodmore »can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.« less

  2. Understanding chemical reactions of CO{sub 2} and its isoelectronic molecules with 1-butyl-3-methylimidazolium acetate by changing the nature of the cation: The case of CS{sub 2} in 1-butyl-1-methylpyrrolidinium acetate studied by NMR spectroscopy and density functional theory calculations

    SciTech Connect (OSTI)

    Cabaço, M. Isabel, E-mail: isabelcabaco@ist.utl.pt [Departamento de Física, Instituto Superior Técnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Física Atómica da UL, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Besnard, Marcel; Danten, Yann [GSM Institut des Sciences Moléculaires, CNRS (UMR 5255), Université de Bordeaux, 351, Cours de la Libération 33405 Talence Cedex (France); Chávez, Fabián Vaca [Centro de Física da Matéria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Pinaud, Noël [CESAMO Institut des Sciences Moléculaires, CNRS (UMR 5255), Université de Bordeaux, 351, Cours de la Libération 33405 Talence Cedex (France); Sebastião, Pedro J. [Departamento de Física, Instituto Superior Técnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Física da Matéria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Coutinho, João A. P. [CICECO, Departamento de Química, Universidade de Aveiro 3810-193 Aveiro (Portugal)

    2014-06-28

    NMR spectroscopy ({sup 1}H, {sup 13}C, {sup 15}N) shows that carbon disulfide reacts spontaneously with 1-butyl-1-methylpyrrolidinium acetate ([BmPyrro][Ac]) in the liquid phase. It is found that the acetate anions play an important role in conditioning chemical reactions with CS{sub 2} leading, via coupled complex reactions, to the degradation of this molecule to form thioacetate anion (CH{sub 3}COS{sup ?}), CO{sub 2}, OCS, and trithiocarbonate (CS{sub 3}{sup 2?}). In marked contrast, the cation does not lead to the formation of any adducts allowing to conclude that, at most, its role consists in assisting indirectly these reactions. The choice of the [BmPyrro]{sup +} cation in the present study allows disentangling the role of the anion and the cation in the reactions. As a consequence, the ensemble of results already reported on CS{sub 2}-[Bmim][Ac] (1), OCS-[Bmim][Ac] (2), and CO{sub 2}-[Bmim][Ac] (3) systems can be consistently rationalized. It is argued that in system (1) both anion and cation play a role. The CS{sub 2} reacts with the acetate anion leading to the formation of CH{sub 3}COS{sup ?}, CO{sub 2}, and OCS. After these reactions have proceeded the nascent CO{sub 2} and OCS interact with the cation to form imidazolium-carboxylate ([Bmim] CO{sub 2}) and imidazolium-thiocarboxylate ([Bmim] COS). The same scenario also applies to system (2). In contrast, in the CO{sub 2}-[Bmim] [Ac] system a concerted cooperative process between the cation, the anion, and the CO{sub 2} molecule takes place. A carbene issued from the cation reacts to form the [Bmim] CO{sub 2}, whereas the proton released by the ring interacts with the anion to produce acetic acid. In all these systems, the formation of adduct resulting from the reaction between the solute molecule and the carbene species originating from the cation is expected. However, this species was only observed in systems (2) and (3). The absence of such an adduct in system (1) has been theoretically investigated using DFT calculations. The values of the energetic barrier of the reactions show that the formation of [Bmim] CS{sub 2} is unfavoured and that the anion offers a competitive reactive channel via an oxygen-sulphur exchange mechanism with the solute in systems (1) and (2)

  3. Cooperative behavior of Zn cations in Bi-based perovskites: A comparison of (Bi,Sr)2ZnNbO6 and (Bi,Sr)2MgNbO6

    SciTech Connect (OSTI)

    Takagi, Shigeyuki M [ORNL; Cooper, Valentino R [ORNL; Singh, David J [ORNL

    2011-01-01

    We investigated the polar behavior of the double perovskite (Bi,Sr)2MgNbO6 using first-principles density-functional theory calculations. We find that the magnitude (75 C/cm2) and direction (along [111]) of the polarization are comparable to our previous results for the A-site size difference (Bi,Sr)2ZnNbO6 and (Bi,Pb)2ZnNbO6 systems. However, comparisons with the (Bi,Sr)2ZnNbO6 compound indicate that the presence of Zn modestly enhances the off-centering of the Sr and Nb cations as well as the Born effective charges of both Bi and Nb. Analogous to the corresponding Pb- based perovskites, Pb(Mg1/3Nb2/3)O3 and Pb(Zn1/3Nb2/3)O3, we demonstrate that the difference in the experimentally observed critical temperatures are related to the differences in polarization between the two materials. A local dipole analysis indicates that the most significant contribution arises from the enhanced cooperative couplings with the larger Zn displacements.

  4. Nanoheterostructure Cation Exchange: Anionic Framework Conservation

    E-Print Network [OSTI]

    Jain, Prashant K.

    2010-01-01

    at the LBNL Molecular Foundry supported by the Office ofCA 94720 Molecular Foundry, Lawrence Berkeley National Lab,

  5. Representing Face Images for Emotion Classi cation

    E-Print Network [OSTI]

    Cottrell, Garrison W.

    University of California, San Diego La Jolla, CA 92034 Garrison Cottrell Department of Computer Science

  6. Cationic Ruthenium Catalysts for Olefin Hydrovinylation 

    E-Print Network [OSTI]

    Sanchez, Richard P., Jr

    2010-01-14

    of the Hydrovinylation Reaction ................................. 1 1.2 Mechanism of the Hydrovinylation Reaction........................... 4 1.3 Nickel and Palladium Catalyzed Reactions.............................. 6 1.4 Ruthenium Catalyzed Reactions... to form followed by isomerization to give the observed product. Ph Ph Me Ph Me Me RhCl3?3H2O 1000 atm ethylene MeOH, 50 ?C (6) Few catalysts had been used in early studies, but typically nickel and palladium catalysts were used due to their higher...

  7. Quaternary Borate Deposits As A Geothermal Exploration Tool In...

    Open Energy Info (EERE)

    targets have been identified in west-central Nevada at Rhodes, Teels, and Columbus Salt Marhas (playas). In each of these playas, geothermometry data from springs and wells...

  8. Chemistry Of Thermal And Nonthermal Springs In The Vicinity Of...

    Open Energy Info (EERE)

    hydrothermal systems. These acid-sulfate waters are not generally useful for liquid chemical geothermometry, however, because their chemical compositions result from water-rock...

  9. Cationic Hyperbranched Poly(amino ester): A Novel Class of DNA Condensing Molecule with Cationic

    E-Print Network [OSTI]

    Park, Jong-Sang

    one hydroxyl group, two methyl ester groups, and one tertiary amine group in the center Surface, Biodegradable Three-Dimensional Structure, and Tertiary Amine Groups in the Interior Yong. Tertiary amines in the interior of PEI or PAMAM are protonated at acidic endosomal pH, which disrupts

  10. Role of Cation-Water Disorder during Cation Exchange in Small-Pore Zeolite

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust, High-Throughput Analysis of Protein Structures Print ScientistsRodneySodium Natrolite |

  11. A proposal for positive cooperativity in anion-cation binding in yttrium and lutetium complexes based on o-amino-substituted phenolate ligands. On the way to coordination polymers by self-assembly. Molecular structures of [ClLu(OAr){sub 3}Na] (X-ray) and [ClY(OAr{prime}){sub 3}Y(OAr{prime}){sub 3}Na] (X-ray and {sup 89}Y-NMR)

    SciTech Connect (OSTI)

    Hogerheide, M.P.; Ringelberg, S.N.; Grove, D.M.

    1996-02-28

    The authors prepared the hetero(poly)metallic complexes [ClM(OAr){sub 3}Na] (M = Lu (3a), Y (3b)) and [ClY(OAr`){sub 3}Y(OAR`){sub 3}Na] (4) (OAr = OC{sub 6}H{sub 2}(CH{sub 2}NMe{sub 2}){sub 2}-2,6,Me-4; OAr` = OC{sub 6}H{sub 4}(CH{sub 2}NMe{sub 2})-2). Structural analysis was afforded by NMR spectroscopy and X-ray diffraction. The structures show evidence for anion-cation cooperativity in bonding and are discussed in detail for the compounds in both the solid state and in solution.

  12. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01

    Materials in Nuclear Waste Management 2003, SAND2003-3313,Materials in Nuclear Waste Management 2003, SAND2003-3313,Materials in Nuclear Waste Management 2003, SAND2003-3313,

  13. Stream acidification and base cation losses with grassland afforestation

    E-Print Network [OSTI]

    Nacional de San Luis, Universidad

    is known about its effect on ecosystems and watersheds and, ultimately, the quality of water resources, our data suggest that repeated harvesting cycles at some locations could negatively impact the soil impacts on water quantity, effects on water quality have relevance both at the site where land use change

  14. Automatic Verb Classi cation Based on Statistical Distributions of

    E-Print Network [OSTI]

    Merlo, Paola

    verbs, which are the primary source of relational information in a sentence--the predicate are the primary source of relational information in a sentence--the predicate-argument structure that relates acquisition of knowledge about verbs, two basic questions must be addressed: ° What information about verbs

  15. Functional and Structural Characterization of Cation/H+ Antiporters 

    E-Print Network [OSTI]

    Manohar, Murli

    2012-07-16

    .............................................. 12 Inter/Intra Molecular Interactions .................................................... 14 CAX mediated Biofortification and Phytoremediation .................... 16 Conclusions...). Understanding the mechanism of cellular transport requires precise analysis of how the substrates are recognized by the ?gate? of the transporter, how they are carried through the pore, and how the energy required for the transport is transmitted...

  16. Electron Paramagnetic Resonance Studies of Pi-Cation Radical Tetrapyrroles

    E-Print Network [OSTI]

    Hondros, Christopher John

    2014-01-01

    arise because the thermal-activation behavior of the processIn this respect, the thermal-activation behavior exhibiteddiminish the thermal activation of hole/electron-transfer.

  17. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01

    and their metabolites). 116 The discovery of Tb(btc) (btc=1,3,5-benzenetricarboxylate) framework has been

  18. Uncertainty Model Unfalsi cation With Simulation Bruce R. Woodley

    E-Print Network [OSTI]

    N . If an ARX model is used, G#12;z = B#12;z A#12;z; H#12;z = 1 A#12;z A#12;z = 1 + a1z,1 + + anz,nA B#12;z = b1

  19. Formal Speci cation of a Prolog Compiler Michael Hanus

    E-Print Network [OSTI]

    Hanus, Michael

    , T erms, T erm, String operations: prog: Clauses ! P rog csequ: Clause, Clauses ! Clauses empty csequ: ! Clauses clause: T erm, T erm ! Clause tsequ: T erm, T erms ! T erms empty tsequ: ! T erms var: String ! T erm structure: Strin

  20. Safety Veri cation for Automated Platoon A Case Study

    E-Print Network [OSTI]

    Lynch, Nancy

    appears in the motion of the cars. The combina- tion forms a hybrid system of considerable complexity that operate the vehicles, plus communication channels, is modeled formally, using the hybrid input cars operate under partial or total computer control.An important new e ort in this area

  1. Photoabsorption spectrum of helium trimer cation—Theoretical modeling

    SciTech Connect (OSTI)

    Kalus, René [Centre of Excellence IT4Innovations and Department of Applied Mathematics, VSB-Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava (Czech Republic)] [Centre of Excellence IT4Innovations and Department of Applied Mathematics, VSB-Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava (Czech Republic); Karlický, František [Regional Centre of Advanced Technologies and Materials and Department of Physical Chemistry, Faculty of Science, Palacký University, T?. 17. listopadu 12, 771 46 Olomouc (Czech Republic)] [Regional Centre of Advanced Technologies and Materials and Department of Physical Chemistry, Faculty of Science, Palacký University, T?. 17. listopadu 12, 771 46 Olomouc (Czech Republic); Lepetit, Bruno [Laboratoire Collisions Agrégats Réactivité, IRSAMC and UMR5589 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex (France)] [Laboratoire Collisions Agrégats Réactivité, IRSAMC and UMR5589 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex (France); Paidarová, Ivana [J. Heyrovský Institute of Physical Chemistry, ASCR, v.v.i., Dolejškova 3, 182 23 Praha (Czech Republic)] [J. Heyrovský Institute of Physical Chemistry, ASCR, v.v.i., Dolejškova 3, 182 23 Praha (Czech Republic); Gadea, Florent Xavier [Laboratoire de Chimie et de Physique Quantiques, IRSAMC and UMR5626 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex (France)] [Laboratoire de Chimie et de Physique Quantiques, IRSAMC and UMR5626 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex (France)

    2013-11-28

    The photoabsorption spectrum of He{sub 3}{sup +} is calculated for two semiempirical models of intracluster interactions and compared with available experimental data reported in the middle UV range [H. Haberland and B. von Issendorff, J. Chem. Phys. 102, 8773 (1995)]. Nuclear delocalization effects are investigated via several approaches comprising quantum samplings using either exact or approximate (harmonic) nuclear wavefunctions, as well as classical samplings based on the Monte Carlo methodology. Good agreement with the experiment is achieved for the model by Knowles et al., [Mol. Phys. 85, 243 (1995); Mol. Phys. 87, 827 (1996)] whereas the model by Calvo et al., [J. Chem. Phys. 135, 124308 (2011)] exhibits non-negligible deviations from the experiment. Predictions of far UV absorption spectrum of He{sub 3}{sup +}, for which no experimental data are presently available, are reported for both models and compared to each other as well as to the photoabsorption spectrum of He{sub 2}{sup +}. A simple semiempirical point-charge approximation for calculating transition probabilities is shown to perform well for He{sub 3}{sup +}.

  2. Characterizations of Cation/H+ Antiporters from Arabidopsis and Zebrafish 

    E-Print Network [OSTI]

    Mei, Hui

    2010-07-14

    Ca2+ sensitivity, the deletion of both PMC1 and VCX1 genes leads to a greater sensitivity to Ca2+ than the loss of either gene alone, (Pozos et al., 1996) and Vcx1p is required to rapidly restore basal cytosolic Ca2+ levels following a Ca2+ shock...

  3. Characterization of Selective Binding of Alkali Cations with...

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

    higher in energy (blue shifted). For formate, there was a distinctly large shift between lithium and the other ions, whereas sodium and potassium were indistinguishable. The...

  4. Supporting Information Benzylic Cations with Triplet States: Computational

    E-Print Network [OSTI]

    Gherman, Benjamin F.

    of Chemistry, California State University, Sacramento, 6000 J Street, Sacramento, CA 95819-6057 falvey

  5. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01

    Luther, J. , Solar Energy Materials and Solar Cells 1998,Luther, J. , Solar Energy Materials and Solar Cells 1998,

  6. Specific Cation Effects in Biological Systems: Thermodynamic and Spectroscopic Insights 

    E-Print Network [OSTI]

    Kherb, Jaibir

    2012-02-14

    as these polypeptides can be easily genetically engineered to observe the effect of specific amino acid residues and peptide chain length on these salt interactions. Both of these biopolymers are also highly thermoresponsive as their aqueous solutions undergo a...

  7. Synthesis, characterization, anion complexation and electrochemistry of cationic Lewis acids 

    E-Print Network [OSTI]

    Chiu, Ching-Wen

    2009-05-15

    fluoride or cyanide from water under bi-phasic conditions. By placing the fluorophilic silyl group adjacent to an electrophilic carbocation, a novel fluoride sensor [45]+ was obtained. Sensing occurs via a fluoride induced methyl migration from the silicon...

  8. Wideband Cyclostationary Spectrum Sensing and Modulation Classi?cation

    E-Print Network [OSTI]

    Rebeiz, Eric

    2013-01-01

    SATELLITE (Space to Earth) AERO. RADIONAVIGATION RADIO DET.O B I L E S A T ( E - S ) AERO. RADIONAV. RADIO DET. SAT. (RADIO ASTRONOMY Mobile Sat. (S-E) AERO. RADIONAV. RADIO DET.

  9. Pore-size-distribution of cationic polyacrylamide hydrogels. Progress report

    SciTech Connect (OSTI)

    Kremer, M.; Prausnitz, J.M.

    1992-06-01

    The pore size distribution of a AAm/MAPTAC (acrylamide copolymerized with (3-methacrylamidopropyl)trimethylammonium chloride) hydrogel was investigated using Kuga`s mixed-solute-exclusion method, taking into account the wall effect. A Brownian-motion model is also used. Results show the feasibility of determining pore-size distribution of porous materials using the mixed-solute-exclusion method in conjunction with solution of the Fredholm equation; good agreement was obtained with experiment, even for bimodal pore structures. However, different pore size distributions were calculated for the two different probe-solutes (Dextran and poly(ethylene glycol/oxide)). Future work is outlined. 32 figs, 25 refs.

  10. Pore-size-distribution of cationic polyacrylamide hydrogels

    SciTech Connect (OSTI)

    Kremer, M.; Prausnitz, J.M.

    1992-06-01

    The pore size distribution of a AAm/MAPTAC (acrylamide copolymerized with (3-methacrylamidopropyl)trimethylammonium chloride) hydrogel was investigated using Kuga's mixed-solute-exclusion method, taking into account the wall effect. A Brownian-motion model is also used. Results show the feasibility of determining pore-size distribution of porous materials using the mixed-solute-exclusion method in conjunction with solution of the Fredholm equation; good agreement was obtained with experiment, even for bimodal pore structures. However, different pore size distributions were calculated for the two different probe-solutes (Dextran and poly(ethylene glycol/oxide)). Future work is outlined. 32 figs, 25 refs.

  11. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured...

    Office of Scientific and Technical Information (OSTI)

    of cesium and strontium in the soil cores. The exchange of solutes between the soil matrix and macropores caused a hysteretic mobilization of colloids, cesium, and strontium...

  12. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01

    Blue Degradation Photocatalysis ……………………… 258 10.3 ResultsBlue Degradation Photocatalysis ……………………… 263 10.3.3methylene blue photocatalysis ………………………..…. 264 Figure 10.5

  13. ORBIT -Operating-Regime-Based Modeling and Identi cation Toolkit

    E-Print Network [OSTI]

    Foss, Bjarne A.

    a Department of Engineering Cybernetics, The Norwegian University of Science and Technology, N-7034 Trondheim and the Norwegian University of Science and Technology have developed a research tool to facilitate further research and development of this technology, as well as internal and external use in education and industrial research

  14. Toward a Classi cation of Stochastically Stable Quenched Measures

    E-Print Network [OSTI]

    structure of those models that describe disordered systems like the spin glass. A common feature of the considered class of models is the presence of two time scales, with di#11;erent order of magnitude, governing

  15. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01

    Res. 2009, 42, 1827-1838. Palomares, E. ; Clifford, J. N. ;Res. 2009, 42, 1827-1838. Palomares, E. ; Clifford, J. N. ;

  16. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01

    frameworks based on rare earth metals are the most developedwhere M is rare earth metals. The first structurallybased on trivalent rare earth metals, including Yb 3+ , Y 3

  17. Conceptual Synthesis of Mechanisms from Qualitative Speci cations of Behaviour

    E-Print Network [OSTI]

    Subramanian, Devika

    in the context of automated design of mechanisms in Technics Lego. We introduce a new kinematic abstraction in the design process { unity machine construction, qualitative kinematic analysis, and re#12;nement for synthesizing mechanisms from descriptions of kinematic behaviour. The standard process of designing mecha

  18. Correlation between crystalline order and vitri cation in colloidal monolayers

    E-Print Network [OSTI]

    Tamborini, Elisa; Royall, C. Patrick; Cicuta, Pietro

    2015-04-29

    are — transiently — more solid-like that others. Originally identified in computer simulation [5, 6] and indirectly observed in molecular experiment [7, 8], dynamic heterogeneity was later directly observed in colloidal experiments [9, 10, 11]. The latter technique... , which we employ here, is a powerful means of investigating the local properties of glassforming systems [12, 13, 14]. Regarding the nature of the glass transition, strong evidence has been presented that the super-Arrhenius increase in structural...

  19. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D BGene Network ShapingDate: M-16-04-04JournalCharacterization of

  20. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D BGene Network ShapingDate: M-16-04-04JournalCharacterization

  1. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D BGene Network ShapingDate:

  2. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D BGene Network ShapingDate:Characterization of Selective Binding of

  3. ENERGY COMMISSION APPL.lCATION FOR SOURCE MATERIAL LICENSE

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield Municipal Gas &SCE-SessionsSouth DakotaRobbins and700, 1.Reports1 Rev.Metals

  4. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room News PublicationsAudits &BradburyMay 1,CenterJohnCeremonySynchrotron

  5. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room News PublicationsAudits &BradburyMay 1,CenterJohnCeremonySynchrotronCharacterization of

  6. Global Cationic Etherification Agent Industry 2015 Market Research Report |

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to:ofEniaElectric JumpAtlas for Solar and Wind EnergyOpenEI

  7. Combined Quantum Chemical/Raman Spectroscopic Analyses of Li+ Cation

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing BacteriaConnect Collider Tests of the Little Higgs

  8. OpenEI Community - Global Cationic Etherification Agent Industry 2015

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsourceII Jump to:InformationInformationOorjaen TheGeothermal NEPA Workshop

  9. Cationic disorder and Mn{sup 3+}/Mn{sup 4+} charge ordering in the B? and B? sites of Ca{sub 3}Mn{sub 2}NbO{sub 9} perovskite: a comparison with Ca{sub 3}Mn{sub 2}WO{sub 9}

    SciTech Connect (OSTI)

    López, C.A.; Saleta, M.E.; Pedregosa, J.C.; Sánchez, R.D.; Alonso, J.A.; and others

    2014-02-15

    We describe the preparation, crystal structure determination, magnetic and transport properties of two novel Mn-containing perovskites, with a different electronic configuration for Mn atoms located in B site. Ca{sub 3}Mn{sup 3+}{sub 2}WO{sub 9} and Ca{sub 3}Mn{sup 3+/4+}{sub 2}NbO{sub 9} were synthesized by standard ceramic procedures; the crystallographic structure was studied from X-ray powder diffraction (XRPD) and neutron powder diffraction (NPD). Both phases exhibit a monoclinic symmetry (S.G.: P2{sub 1}/n); Ca{sub 3}Mn{sub 2}WO{sub 9} presents a long-range ordering over the B sites, whereas Ca{sub 3}Mn{sub 2}NbO{sub 9} is strongly disordered. By “in-situ” NPD, the temperature evolution of the structure study presents an interesting evolution in the octahedral size (?Mn–O?) for Ca{sub 3}Mn{sub 2}NbO{sub 9}, driven by a charge ordering effect between Mn{sup 3+} and Mn{sup 4+} atoms, related to the anomaly observed in the transport measurements at T?160 K. Both materials present a magnetic order below T{sub C}=30 K and 40 K for W and Nb materials, respectively. The magneto-transport measurements display non-negligible magnetoresistance properties in the paramagnetic regime. - Graphical abstract: Comparison between the octahedron size and the magnetic behaviour for Ca{sub 3}Mn{sub 2}NbO{sub 9} in the temperature region where the charge and magnetic order occur. Display Omitted - Highlights: • Two novel Mn-containing double perovskites were obtained by solid-state reactions. • Both double perovskites are monoclinic (P2{sub 1}/n) determined by XRPD and NPD. • Ca{sub 3}Mn{sub 2}WO{sub 9} contains Mn{sup 3+} while Ca{sub 3}Mn{sub 2}NbO{sub 9} includes mixed-valence cations Mn{sup 3+}/Mn{sup 4+}. • Ca{sub 3}Mn{sub 2}NbO{sub 9} presents a charge-ordering effect between Mn{sup 3+} and Mn{sup 4+} evidenced by NPD. • The magnetic and transport studies evidenced the charge ordering in Ca{sub 3}Mn{sub 2}NbO{sub 9}.

  10. Rock-Water Interactions in the Fenton Hill, New Mexico, Hot Dry...

    Open Energy Info (EERE)

    Rock-Water Interactions in the Fenton Hill, New Mexico, Hot Dry Rock Geothermal Systems I. Fluid Mixing and Chemical Geothermometry Jump to: navigation, search OpenEI Reference...

  11. Charge trapping by anionic quinones electrostatically bound to a highly charged cationic quinone-viologen polymer or a cationic poly(3-viologen-thiophene)

    SciTech Connect (OSTI)

    Hable, C.T.; Crooks, R.M.; Valentine, J.R.; Giasson, R.; Wrighton, M.S. )

    1993-06-03

    Charge associated with quinone reduction is trapped at low pH in systems composed of sulfonated anthraquinones electrostatically bound to a polymer derived from a monomer consisting of a quinone unit flanked by two viologen units. Each monomer repeat unit carries 6 equiv of positive charge which can be charge compensated by monosulfonated anthraquinone to yield a quinone-viologen ratio of nearly 7:2. At low pH, electrostatic binding is persistent, and the amount of trapped charge is 90% of the theoretical maximum. Some of the electrostatically bound quinine can be replaced with Fe(CN)[sub 6][sup 3[minus

  12. Favorable Geochemistry from Springs and Wells in COlorado

    SciTech Connect (OSTI)

    Zehner, Richard E.

    2012-02-01

    Citation Information: Originator: Geothermal Development Associates, Reno Nevada Originator: United States Geological Survey (USGS) Originator: Colorado Geological Survey Publication Date: 2012 Title: Favorable Geochemistry Edition: First Publication Information: Publication Place: Reno Nevada Publisher: Geothermal Development Associates, Reno, Nevada Description: This layer contains favorable geochemistry for high-temperature geothermal systems, as interpreted by Richard "Rick" Zehner. The data is compiled from the data obtained from the USGS. The original data set combines 15,622 samples collected in the State of Colorado from several sources including 1) the original Geotherm geochemical database, 2) USGS NWIS (National Water Information System), 3) Colorado Geological Survey geothermal sample data, and 4) original samples collected by R. Zehner at various sites during the 2011 field season. These samples are also available in a separate shapefile FlintWaterSamples.shp. Data from all samples were reportedly collected using standard water sampling protocols (filtering through 0.45 micron filter, etc.) Sample information was standardized to ppm (micrograms/liter) in spreadsheet columns. Commonly-used cation and silica geothermometer temperature estimates are included. Spatial Domain: Extent: Top: 4515595.841032 m Left: 149699.513964 m Right: 757959.309388 m Bottom: 4104156.435530 m Contact Information: Contact Organization: Geothermal Development Associates, Reno, Nevada Contact Person: Richard “Rick” Zehner Address: 3740 Barron Way City: Reno State: NV Postal Code: 89511 Country: USA Contact Telephone: 775-737-7806 Spatial Reference Information: Coordinate System: Universal Transverse Mercator (UTM) WGS’1984 Zone 13N False Easting: 500000.00000000 False Northing: 0.00000000 Central Meridian: -105.00000000 Scale Factor: 0.99960000 Latitude of Origin: 0.00000000 Linear Unit: Meter Datum: World Geodetic System 1984 (WGS ’1984) Prime Meridian: Greenwich Angular Unit: Degree Digital Form: Format Name: Shape file

  13. Modeling cation diffusion in compacted water-saturated Na-bentonite at low ionic strength

    E-Print Network [OSTI]

    Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.

    2008-01-01

    Basis for Nuclear Waste Management XXII; Wronkiewicz, D. ,Scientific Basis for Nuclear Waste Management XIX; Murphy,In Scientific Basis for Nuclear Waste Management XX; Gray,

  14. The agroecological matrix as alternative to the land-sparing/agriculture intensi cation model

    E-Print Network [OSTI]

    and inextricable com- ponent of the biodiversity conservation agenda. The Forest Transition Model The European for labor, which depopulates the countryside

  15. QProber: A System for Automatic Classi cation of Hidden-Web Resources

    E-Print Network [OSTI]

    and Luis Gravano Computer Science Department Columbia University and Mehran Sahami E.piphany, Inc. Categories and Subject Descriptors: H.3.1 [Content Analysis and Indexing]: Abstracting Methods; H.3 Services|Web-based Services; H.3.7 [Information Storage and Retrieval]: Digital Libraries; H.2.4 [Database

  16. Antimicrobial Activity of Cationic Antiseptics in Layer-by-Layer Thin Film Assemblies 

    E-Print Network [OSTI]

    Dvoracek, Charlene M.

    2010-07-14

    Layer-by-layer (LbL) assembly has proven to be a powerful technique for assembling thin films with a variety of properties including electrochromic, molecular sensing, oxygen barrier, and antimicrobial. LbL involves the deposition of alternating...

  17. Neutral and Cationic Main Group Lewis Acids - Synthesis, Anion Complexation and Redox Properties 

    E-Print Network [OSTI]

    Dorsey, Christopher L.

    2010-07-14

    ,8- naphthalenediyl scaffold. After discovering a route to a new dilithio reagent, silicon based derivatives featuring R3Si-F->CR3 + and R3C-H->SiFR3 interactions of 2.703(2) and 2.32(2) Angstrom respectively were successfully synthesized and fully characterized...

  18. Improving the Performance of Lithium Manganese Phosphate Through Divalent Cation Substitution

    SciTech Connect (OSTI)

    Chen, Guoying; Richardson, Thomas J.

    2008-03-03

    Highly crystalline samples of LiMnPO{sub 4} and its analogs with partial substitution of Mn by divalent Mg, Cu, Zn, and Ni were prepared by hydrothermal synthesis and characterized by x-ray diffraction and infrared spectroscopy. Chemical oxidation produced two-phase mixtures of the initial phases LiMn{sub (1-y)}M{sub y}PO{sub 4} and the delithiated forms, Li{sub y}Mn{sub (1-y)}M{sub y}PO{sub 4}, all with the olivine structure. The extent of oxidation depended upon the quantity of oxidizing agent used and on the identity of the substituent ions. Mg, Ni and Cu were found to increase the level of delithation relative to that in pure LiMnPO{sub 4}. Mg was also shown to reduce the tendency of the oxidized phase to absorb water.

  19. Improving the Performance of Lithium Manganese Phosphate Through Divalent Cation Substitution

    E-Print Network [OSTI]

    Chen, Guoying

    2010-01-01

    2003). J. Barker, M . Y . Saidi and T. E. Kelley, US PatentTechnology, Inc. ). M . Y . Saidi and H . Huang, US Patent

  20. 182 28th ANNUAL eMS Sorption and Desorption of Quaternary Amine Cations on Clays

    E-Print Network [OSTI]

    Sparks, Donald L.

    . L. Sparks Dent of Plant and Soil Sciences, University of Delaware, Newark, DE 19717 The1ldsorption. (1970). Clays Clay Miner., 18,203-212. 3. Greenland, D.J. and J.P. Quirk. (1964) J. Soil ScL, 15, 178.A., P.R. Jaffe, and C.T. Chiou. (1990). Environ. Sci. Techno!., 24, 1167-1172. 6. Cadena, F. and R

  1. Accurate and Reliable Cancer Classi cation Based on Pathway-Markers and Subnetwork-Markers 

    E-Print Network [OSTI]

    Su, Junjie

    2012-02-14

    cancer datasets from large-scale gene expression studies by Wang et al. [11] (referred as the USA dataset in this work) and vant Veer et al. [10] (referred as the Nether- lands dataset). Wang et al.s dataset [11] contains the gene expression pro les... of 286 breast cancer patients from the USA, where metastasis was detected in 107 of them while the remaining 179 were metastasis-free. The other dataset studied by vant Veer et al. [10] contains the gene expression pro les of 295 patients from...

  2. Use of Methionine Alkylation to Prepare Cationic and Zwitterionic Block Copolypeptide Vesicles

    E-Print Network [OSTI]

    Rodriguez, AR; Choe, UJ; Kamei, DT; Deming, TJ

    2015-01-01

    Millipore water and removing the excess liquid with filtermembranes and filter supports were soaked in Millipore water

  3. Doping against the Native Propensity of MoS2: Degenerate Hole Doping by Cation Substitution

    E-Print Network [OSTI]

    Wu, Junqiao

    attention as the key semiconducting material for two- dimensional electrical, optoelectronic, and spintronic rectification. A wide range of microelectronic, optoelectronic, and spintronic devices can be envisioned from

  4. Independent control of the shape and composition of ionic nanocrystals through sequential cation exchange reactions

    E-Print Network [OSTI]

    Luther, Joseph Matthew

    2010-01-01

    Solar Energy Research Center, which is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials

  5. Tools for Real-Time UML: Formal Veri cation and Code Synthesis

    E-Print Network [OSTI]

    David, Alexandre

    semantics, and is powerful enough to describe the characteristic features of real-time systems appropriate for high-level design and analysis of real-time systems. The model has a simple and clear is a uniform framework for modeling, analysis, and code synthesis of real-time systems. Figure 1 illustrates

  6. Quantum/Classical Mechanical Comparison of Cation-Interactions between Tetramethylammonium and Benzene

    E-Print Network [OSTI]

    Sussman, Joel L.

    and Benzene Clifford Felder, Hua-Liang Jiang,,§,|, Wei-Liang Zhu,§,| Kai-Xian Chen,§ Israel Silman, Simone A-methyl groups with a benzene ring, by use of density-functional theory (DFT) methods B3LYP/6-31G* and B3LYP/6 profiles of the complex as benzene was moved away from TMA in 0.2 Å intervals. Hence it is possible to use

  7. Apparatus for the study of electronic spectra of collisionally cooled cations: para-dichlorobenzene

    E-Print Network [OSTI]

    Maier, John Paul

    , and that the photofragments can be detected with almost unit efficiency conferring high sensitivity. In some cases, such as N2 rapid internal conversion from excited electronic states, yielding vibration- ally hot ions dissociate. Otherwise, the absorption/internal conversion process can continue until the ions have sufficient

  8. Factors that Influence Cation Segregation at the Surfaces of Perovskite Oxides Wonyoung Lee and Bilge Yildiz

    E-Print Network [OSTI]

    Yildiz, Bilge

    As the oxygen reduction reaction (ORR) becomes more critical for development of solid oxide fuel cells (SOFCs on the reactivity and stability of solid oxide fuel cell (SOFC) cathodes.(2-9) Oxygen reduction reaction (ORR is important to understand and enable design of cathode materials with optimal surface chemistry. Recently we

  9. Probing water properties and cationic exchange in calcium-silicate-hydrate : an atomistic modeling study

    E-Print Network [OSTI]

    Youssef, Mostafa Youssef Mahmoud

    2010-01-01

    Two problems related to the assessment of the performance of cementitious materials in the nuclear fuel cycle are investigated by means of atomistic simulations. The first is the structural and dynamic nature of water ...

  10. Reaction of formaldehyde cation with methane: Effects of collision energy and methane vibrations

    E-Print Network [OSTI]

    Anderson, Scott L.

    a center-of-mass Ecol range from 0.09­3.3 eV. Electronic structure and RRKM calculations are reported of the measurements, along with favorable kinematics, provide considerable in- sight into the reaction dynamics, and also will serve as a stringent test for a direct dynamics trajectory study of this reaction, currently

  11. Reaction of formaldehyde cation with molecular hydrogen: Effects of collision energy and H2CO

    E-Print Network [OSTI]

    Anderson, Scott L.

    from 0.1 to 2.3 eV. Electronic structure and Rice­ Ramsperger­Kassel­Marcus calculations were usedV, consistent with a transition state found in the electronic structure calculations. A precursor complex on the reaction probabil- ity should provide insight into the barrier crossing dynamics. We are able to probe

  12. Mechanistic and Reactivity Studies of Cationic Cyclizations Catalyzed by Supramolecular Encapsulation

    E-Print Network [OSTI]

    Hastings, Courtney James

    2010-01-01

    lithium wire ( 45.2 mmol), 2.3 mL 2-bromo-2- butene (22.6 mmol), and 1.0 g ethyl acetate-lithium wire (27.7 mmol), 1.87 g (E)-2-bromo-2-butene (13.9 mmol), and 0.680 mL ethyl acetate (

  13. Characterization of selective binding of alkali cations with carboxylate by x-ray absorption spectroscopy

    E-Print Network [OSTI]

    Cohen, Ronald C.

    spectra measured for aqueous formate and acetate solutions containing lithium, sodium, and potassium simulations and other experi- ments. The carbon K-edge spectra of the acetate carbonyl feature centered near with the carboxylate groups of the model carboxylate anions formate and acetate, using liquid microjet technology

  14. Classi cation of the spatial equilibria of the clamped elastica: symmetries and zoology of solutions

    E-Print Network [OSTI]

    Neukirch, Sébastien

    orthogonal unit vectors, the directors, provides a way to describe local bending, twisting, stretching used there (e.g. roots of a third degree polynomial or modulus of elliptic integrals) were not easily. The paper is organized as follows : we #12;rst recall the Kirchho#11; equations that govern the equilibrium

  15. Low dimensionality spectral sensing for low cost material discrimination and identi cation

    E-Print Network [OSTI]

    Bove Jr., V. Michael

    .6 Light Emitting Diodes as Detectors . . . . . . . . . . . . . . . . . . . . . . . . . . 32 3.7 Other

  16. The effect of swelling and cationic character on gene transfection by pH-sensitive nanocarriers

    E-Print Network [OSTI]

    Auguste, Debra T.

    -Oh You, Debra T. Auguste* School of Engineering and Applied Sciences, Harvard University, 29 Oxford were also compared to vehicles comprised of polyethyleneimine (PEI), dioleoyl tri- ammonium propane]. Dioleoyl trimethyl ammonium propane (DOTAP) [14] and polyethylenimine (PEI) [15] have been used to condense

  17. Neutral and Cationic Main Group Lewis Acids - Synthesis, Characterization and Anion Complexation 

    E-Print Network [OSTI]

    Hudnall, Todd W.

    2010-01-14

    The molecular recognition of fluoride and cyanide anions has become an increasingly pertinent objective in research due to the toxicity associated with these anions, as well as their widespread use. Fluoride is commonly added to drinking water...

  18. Modelling and Veri cation of Automated Transit Systems, using Timed Automata, Invariants and

    E-Print Network [OSTI]

    Lynch, Nancy

    and gates, steam boiler control) appear in 8, 10]. Brie y, a timed automaton is a labelled transition system

  19. Settling Rates for Flocculation of Iron and Manganese Ore-Containing Suspensions by Cationic Glycogen

    E-Print Network [OSTI]

    North Texas, University of

    of floccu- lants to liquid suspensions causes aggregation of particles in so-called flocs, thereby be recycled, water used for industrial processes can be reused successfully if purified; and purification in the recycling of domestic wastewater and of industrial and mineral processing effluents [1­3]. Flocculation

  20. Enhanced Charge-Transfer Kinetics by Anion Surface Modi cation of Kyu-Sung Park,,

    E-Print Network [OSTI]

    Henkelman, Graeme

    . The intermittency of wind and solar energy makes mandatory large-scale energy storage as a complement of the electrical energy generated from wind and radiant solar power. Moreover, rechargeable batteries that power on global warming and air pollution, alternative energy sources at an a ordable price are urgently needed

  1. New electrolyte systems for capillary zone electrophoresis of metal cations and non-ionic organic compounds

    SciTech Connect (OSTI)

    Shi, Y.

    1995-06-19

    Excellent separations of metal ions can be obtained very quickly by capillary electrophoresis provided a weak complexing reagent is incorporated into the electrolyte to alter the effective mobilities of the sample ions. Indirect photometric detection is possible by also adding a UV-sensitive ion to the electrolyte. Separations are described using phthalate, tartrate, lactate or hydroxyisobutyrate as the complexing reagent. A separation of twenty-seven metal ions was achieved in only 6 min using a lactate system. A mechanism for the separation of lanthanides is proposed for the hydroxyisobutyrate system.

  2. Synthesis of a Cationic Inorganic Layered Material for Trapping Anionic Pharmaceutical Pollutants

    E-Print Network [OSTI]

    Sergo, Kevin Michael

    2013-01-01

    often consist of quaternary amines bound to the styrene (Styrene-NR 3+ X - , R = alkyl or aryl group, X = anion)for more anions than styrene resins with the same degree of

  3. Effect of Biocidal Treatments on Cation Exchange Capacity and Fusarium Blight of Soybean in Delaware Soils

    E-Print Network [OSTI]

    Sparks, Donald L.

    in Delaware Soils H. A. Sandier, R. B. Carroll,* and D. L. Sparks ABSTRACT Fusarium wilt has caused it is caused by the soil-borne fungus Fusarium oxysporum. A better understanding of the relationship between soil characteristics and the pathogen and between biocidal treatments and physiochemical properties

  4. Factors that Influence Cation Segregation at the Surfaces of Perovskite Oxides

    E-Print Network [OSTI]

    Lee, Wonyoung

    As the oxygen reduction reaction (ORR) becomes more critical for development of solid oxide fuel cells (SOFCs) that operate at 500-700 °C, the correlation between the surface chemistry and electrochemical performance is ...

  5. Mobility of singly-charged lanthanide cations in rare gases: Theoretical assessment of the state specificity

    SciTech Connect (OSTI)

    Buchachenko, Alexei A.; Viehland, Larry A.

    2014-03-21

    High quality, ab initio calculations are reported for the potential energy curves governing the interactions of four singly-charged lanthanide ions (Yb{sup +}, Eu{sup +}, Lu{sup +}, and Gd{sup +}) with the rare gases (RG = He–Xe). Scalar-relativistic coupled cluster calculations are used for the first three S-state ions, but for Gd{sup +}({sup 10}D°) it is necessary to take the interaction anisotropy into account with the help of the multi-reference technique. The potential energy curves are used to determine the ion mobility and other transport properties describing the motion of the ions through the dilute RG, both as functions of the temperature, T, in the low-field limit, and at fixed T as functions of the ratio of the electrostatic field strength to the gas number density, E/N. The calculated mobilities are in good agreement with the very limited experimental data that have become available recently. The calculations show a pronounced dependence of the transport properties on the electronic configuration of the ion, as well as a significant effect of the spin-orbit coupling on the transport properties of the Gd{sup +} ion, and predict that state-specific mobilities could be detectable in Gd{sup +}–RG experiments.

  6. Characterization of plant cation/h+ antiporters and how they can impact nutrition 

    E-Print Network [OSTI]

    Morris, James Larry

    2009-05-15

    Calcium transporters regulate calcium fluxes within cells. Plants, like all organisms, contain channels, pumps and exchangers to carefully modulate intracellular calcium levels. Numerous Arabidopsis proteins have been ...

  7. An E-uni cation Algorithm for Analyzing Protocols that Use Modular Exponentiation

    E-Print Network [OSTI]

    Kapur, Deepak

    ? , Paliath Narendran 2?? , and Lida Wang 2? ? ? 1 Department of Computer Science, University of New Mexico such as the Internet Engineer- ing Task Force's (IETF) Internet Key Exchange [11] and Group Domain of Interpretation, and has been used e#11;ec- tively to analyze, e.g., the Internet Engineering Task Force's (IETF) Internet

  8. An E-uni cation algorithm for analyzing protocols that use

    E-Print Network [OSTI]

    Narendran, Paliath

    Deepak Kapur 1 Department of Computer Science University of New Mexico Albuquerque, NM 87131 Paliath to analyze cryptographic pro- tocols, particularly emerging standards such as the Internet Engineering Task Force's (IETF) Internet Key Exchange [11] and Group Domain of Interpretation [12] pro- tocols

  9. Transitions of Organized Assemblies in Mixed Systems of Cationic Bolaamphiphile and Anionic Conventional Surfactants

    E-Print Network [OSTI]

    Huang, Jianbin

    of the mixed systems. The effects of temperature and salt addition on this transition have also been of additives18,19 or variation of environmental factors, such as temperature,20,21 concentration,22,23 and p Conventional Surfactants Ting Lu, Feng Han, Zichen Li, and Jianbin Huang* State Key Laboratory for Structural

  10. Mechanistic and Reactivity Studies of Cationic Cyclizations Catalyzed by Supramolecular Encapsulation

    E-Print Network [OSTI]

    Hastings, Courtney James

    2010-01-01

    the maximum reaction velocity (V max ) will be equal to thatto reach the maximum reaction velocity in the presence ofthe maximum velocity of the reaction, K m is the Michaelis

  11. Aza Cope Rearrangement of Propargyl Enammonium Cations Catalyzed By a Self-Assembled `Nanozyme

    E-Print Network [OSTI]

    Hastings, Courntey J.

    2009-01-01

    the maximum reaction velocity (V max ) will be equal to thatto reach the maximum reaction velocity in the presence ofthe maximum velocity of the reaction, K m is the Michaelis

  12. Theoretical Study of Dithioformic Acid, Dithiohydroxy Carbene and Their Radical Cations: Unimolecular and Assisted Rearrangements

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    . Adiabatic ionization energies are predicted to be IEa(HS-C-SH) ) 8.2 ( 0.3 eV and IEa(HC(dS)SH)] ) 9.0 ( 0

  13. Nanoscale cation motion in TaOx, HfOx and TiOx memristive systems

    E-Print Network [OSTI]

    Yildiz, Bilge

    these memristive devices and formulating appropriate design rules. Based on distinct fundamental switchingRAM devices lies in their low power consumption, subnanose- cond switching times9 and a conceptual scalability,5, Bilge Yildiz4,5, Rainer Waser1,6 and Ilia Valov1,6 * A detailed understanding of the resistive switching

  14. Microdomain Formation, Oxidation, and Cation Ordering in LaCa2Fe3O8+y

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

    Price, Patrick M.; Browning, Nigel D.; Butt, Darryl P.

    2015-03-23

    The compound LaCa2Fe3O8+y, also known as the Grenier phase, is known to undergo an order-disorder transformation (ODT) at high temperatures. Oxidation has been observed when the compound is cooled in air after the ODT. In this study, we have synthesized the Grenier compound in air using traditional solid state reactions and investigated the structure and composition before and after the ODT. Thermal analysis showed that the material undergoes an order-disorder transformation in both oxygen and argon atmospheres with dynamic, temperature dependent, oxidation upon cooling. Results from scanning transmission electron microscopy (STEM) suggest that the Grenier phase has preferential segregation ofmore »Ca and La on the two crystallographic A-sites before the ODT, but a random distribution above the ODT temperature. Furthermore, STEM images suggest the possibility that oxygen excess may exist in La-rich regions within microdomains rather than at microdomain boundaries.« less

  15. Computational studies of cation and anion ordering in cubic yttria stabilized zirconia

    E-Print Network [OSTI]

    Predith, Ashley P. (Ashley Page)

    2006-01-01

    The investigation of ordering and phase stability in the ZrO2-Y203 system involves two sets of calculations. The first set of calculations uses the cluster expansion method. A guide to the practical implementation of the ...

  16. Lubricants or lubricant additives composed of ionic liquids containing ammonium cations

    DOE Patents [OSTI]

    Qu, Jun (Knoxville, TN) [Knoxville, TN; Truhan, Jr.,; John J. (Cookeville, TN) [Cookeville, TN; Dai, Sheng (Knoxville, TN) [Knoxville, TN; Luo, Huimin (Knoxville, TN) [Knoxville, TN; Blau, Peter J. (Knoxville, TN) [Knoxville, TN

    2010-07-13

    A lubricant or lubricant additive is an ionic liquid alkylammonium salt. The alkylammonium salt has the structure R.sub.xNH.sub.(4-x).sup.+,[F.sub.3C(CF.sub.2).sub.yS(O).sub.2].sub.2N.sup- .- where x is 1 to 3, R is independently C.sub.1 to C.sub.12 straight chain alkyl, branched chain alkyl, cycloalkyl, alkyl substituted cycloalkyl, cycloalkyl substituted alkyl, or, optionally, when x is greater than 1, two R groups comprise a cyclic structure including the nitrogen atom and 4 to 12 carbon atoms, and y is independently 0 to 11. The lubricant is effective for the lubrication of many surfaces including aluminum and ceramics surfaces.

  17. Synthesis, Characterization and Anion Complexation of Cationic Main Group Lewis Acids 

    E-Print Network [OSTI]

    Kim, Youngmin

    2011-10-21

    concentration in the 20-30 ppb range in water. The bidentate borane [o-(Mes2B)C6H4(PPh2Me)] is selective for N3 ? over F? in water/chloroform biphasic mixtures because of the lipophilic character of the azide anion, as well as its ability to interact with both...

  18. Protein binding studies of technetium-99m-labeled phosphine and isocyanide cationic complexes

    SciTech Connect (OSTI)

    Zanelli, G.D.; Cook, N.; Lahiri, A.; Ellison, D.; Webbon, P.; Woolley, G.

    1988-01-01

    Most /sup 99m/Tc/phosphine/isocyanide complexes synthesized to date show preferential uptake by the myocardium of many animal species but not in man. A new complex has been synthesized, (/sup 99m/Tc(DEPE)2(CNR)2), +(DEPIC), where R = t - butyl isocyanide, which in three animal species images the myocardium very well, but in humans it remains primarily in the blood pool. One reason for the difference in the behavior of these complexes in different species could be the characteristics of their binding to plasma proteins. The protein binding characteristics of DEPIC and two other well-known complexes have therefore been studied. Whereas the other complexes bind nonspecifically to many proteins both in animal and human plasma, DEPIC binds almost exclusively to prealbumin in humans but nonspecifically to other proteins in the rabbit. The binding sites in human plasma appear to be those normally occupied by thyroxine on the prealbumin tetramer and these can be blocked by sodium salicylate.

  19. Mathematical Modeling of Cation Contamination in a Proton-exchange Membrane

    E-Print Network [OSTI]

    Weber, Adam

    2009-01-01

    contaminant effect in a PEFC environment was conducted byif one considers that typical PEFC operating conditions areminimum potential loss in a PEFC. An actual PEFC will have

  20. Cation Size Mismatch and Charge Interactions Drive Dopant Segregation at the Surfaces of Manganite Perovskites

    E-Print Network [OSTI]

    Yildiz, Bilge

    applications, including solid oxide fuel cells,1-9 oxygen permeation membranes,10,11 batteries,12 and stability of solid oxide fuel cell (SOFC) cathodes. A unified theory that explains the physical origins on perovskite oxide surfaces impacts tremendously the reactivity and stability of solid oxide fuel cell (SOFC

  1. Cationic Liposome-Microtuble Complexes: Lipid-Protein Bio-Nanotubles with

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D B LReportsDeterminatIonFornl ProjectUPFDeterminationCathodeOpen or

  2. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing BacteriaConnect Collider Tests of the Little Higgs Model CitationeV (JournaleVUnder

  3. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing BacteriaConnect Collider Tests of the Little Higgs Model CitationeV

  4. Enhancing Cation-Exchange Capacity of Biochar for Soil Amendment and Global

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submitKansasCommunities EnergyU.S.Engineering Metal(2) Cu (3) O (10+delta)Carbon

  5. The solubility of natural quartz sand at 100?C, and 150?C, 345 bars: an experimental investigation in a flow-through hydrothermal system 

    E-Print Network [OSTI]

    Burns, Gregory Lee

    1989-01-01

    geothermometers and mixing for geothermal systems. Geothermi cs 5, 41-50. Foumier R. O. and Potter R. W. II (1982) An equation correlating the solubility of quartz in water from 25' to 900' C at pressures up to 10, 000 bars, Geochim. Cosrnochim. Acta 46, 1969...

  6. Quantitative evaluation of ammonium hydrosulfide reagent for precipitation of group II cations at 1.0 molar hydrogen ion concentration and for separation of group II and group III cations 

    E-Print Network [OSTI]

    Ramsey, Jerry Warren

    1958-01-01

    nvea t-. i, :, pnbion -M 8n %/~ed Solnt9on' og 4hB: 8&14', '$0r+8@ ~' + 8&I'9. . :~'". 98+88 . a C. , XX''em2 XXX~ bg l9boral9ng QB 9. n e9. 'eu 9. n 4he aaae of the EH@88 . + '8 ~-HHB +' QG~+~ wh93. e 9n:Me @1&-e19ne . eel@~9. on of -Group XXX...L cobalt (xx) sulfate so3utioni The solution was caregullp . . nautralise4 with 1~5- ml ~ . of. 6 M, ammonium. hydro-, KMe+ ~ a/mal "wolumey $1'e5 miry of 2+0 8 hydrochloric Roid was Rd. ded 3BcL 2l, i%cd+ The hiscuth (XXl) sulfide wae proC'iyithted, b7...

  7. The Ferrous Iron-Responsive BqsRS Two-Component System Activates Genes That Promote Cationic Stress Tolerance

    E-Print Network [OSTI]

    Heaton, Thomas H.

    , Athens, Georgia, USA. ABSTRACT The physiological resistance of pathogens to antimicrobial treatment fibrosis (CF) patients are readily colonized by diverse antibiotic- resistant microorganisms, including pathogen, senses Fe(II) using a two-component signal transduction system, BqsRS, which is transcriptionally

  8. The interrelations of mineral colloids and sodium chloride as measured by pH, conductivity, and water-soluble cations 

    E-Print Network [OSTI]

    Crozier, Baalis B

    1952-01-01

    is iegebteg to tbe fallortsg for assis'tasse awl gaigance ia tbe yroyaratioa of this thesis. To Dr. E. E. Eseytoa~ Professor of kgr~ aag Ore&eats kgrisor, aod Dr+ J. De Page, Professor of kgrsssaeP for ssyervisioa throaghoat ths staging to Dr. L. C. gay...'~ Professor of AgroaosP~ for belyfal saggasti~j to Professor C D OogbePp Eeaclp De+arts%at of Qeaeticsp for assist ~ ace ia oabiog the statistical emesis ?f resaltsi to Dr. J. E. kha3ss~ Read, Deyartaeat of kgroooay~ for soggesteg iwyrow...

  9. Morphological stability and metabolic activity of rice (Oryza sativa L.) protoplasts in media supplemented with polyamines and divalent cations 

    E-Print Network [OSTI]

    Adhikary, Bharat Raj

    1979-01-01

    ; this was supplemented with a hand calculator with memories (Texas Instruments, Model SR-51 II) for computing various useful statistics and figures. Significance tests for differences in regressions with respect to level and time x level interaction were made with F...

  10. NEAR-INFRARED SPECTROSCOPY OF NITROGENATED POLYCYCLIC AROMATIC HYDROCARBON CATIONS FROM 0.7 TO 2.5 m

    E-Print Network [OSTI]

    , are produced by mix- tures of highly vibrationally excited polycyclic aromatic hydro- carbons (PAHs), PAH ions. The small shift in the peak position of the in- terstellar emission band near 6.2 m is one such variation emission features assigned to PAHs in- dicated that these variations in peak position arose from small

  11. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    E-Print Network [OSTI]

    Gibson, John K.

    2010-01-01

    methane, ethane, propane, n-butane) and alkenes (ethene,respectively). With propane and n-butane, all the Ln 2+ ionsof La 2+ with propane and n-butane, and the absence of their

  12. Relating the Expression of Soil Redoximorphic Features to Soil Texture, pH, and Cation Exchange Capacity 

    E-Print Network [OSTI]

    Mersmann, Ryan S.

    2010-01-14

    and reduced Mn in soil solution, and the corresponding Eh reading. Mean and standard deviation were calculated for redox potential, ferrous Fe, and reduced Mn replicants for each treatment (soil type). A one-way analysis of variance was performed for redox... potential (Eh) for each ferrous Fe treatment after 336 h of equilibration from Study #3...................................................................... 82 37 Ferrous Fe in solution per pore volume and percent redox concentration...

  13. Gas-phase energies of actinide oxides -- an assessment of neutral and cationic monoxides and dioxides from thorium to curium

    E-Print Network [OSTI]

    Marcalo, Joaquim

    2011-01-01

    D. Chemical Thermodynamics of Thorium. OECD Nuclear Energyand dioxides from thorium to curium Joaquim Marçalo a,* andmonoxides and dioxides of thorium, protactinium, uranium,

  14. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    E-Print Network [OSTI]

    Gibson, John K.

    2010-01-01

    alkanes (methane, ethane, propane, n-butane) and alkenes (and 9, respectively). With propane and n-butane, all the Lnin the reactions of La 2+ with propane and n-butane, and the

  15. Changes in Sea-Level associated with Modi cations of the Mass Balance of the Greenland and Antarctic

    E-Print Network [OSTI]

    by comparing the predictions of the six possible combinations of two climate models and three methods for Antarctica. The energy balance based approach, which relies on an explicit modellingof the temperature estimated from thermal expansion alone. This surprisingly small range of uncertainty is due 1 #12;to

  16. MacroCapTM SP is a cation exchanger designed for the purification of large biomolecules such as polyethylene

    E-Print Network [OSTI]

    Lebendiker, Mario

    such as polyethylene glycol (PEG)-modified proteins (i.e., PEGylated proteins) that are intended for use

  17. Supporting information Evolution of Hollow TiO2 Nanostructures via the Kirkendall Effect Driven by Cation

    E-Print Network [OSTI]

    Wang, Xudong

    valve open). The chamber was cooled down naturally under N2 flow after growth. To acquire different 5 cm away from the precursor inlet nozzle. N2 gas with a flow rate of 40 sccm was introduced into the chamber to serve as the carrier gas. The system's base pressure was kept at 3.2 Torr. The hollow TiO2

  18. DRAFT. TO APPEAR IN SIMON HAYKIN ED., KALMAN FILTERING AND NEURAL NETWORKS 1 An EM Algorithm for Identi cation of

    E-Print Network [OSTI]

    Roweis, Sam

    -random number generator started with a particular seed this is precisely what we are doing. in the wind-stationary time series. We also consider the identi#12;ability and expres- sive power of nonlinear dynamical, stochasticity is essential to allow a model with a few #12;xed parameters to generate a rich variety of time

  19. Multiscale impact of nucleotides and cations on the conformational equilibrium, elasticity and rheology of actin filaments and crosslinked networks

    E-Print Network [OSTI]

    Bidone, Tamara Carla

    Cells are able to respond to mechanical forces and deformations. The actin cytoskeleton, a highly dynamic scaffolding structure, plays an important role in cell mechano-sensing. Thus, understanding rheological behaviors ...

  20. 62 CoMMuniCATions of The ACM | juNe 2011 | voL. 54 | No. 6 contributedarticles

    E-Print Network [OSTI]

    Ratnasamy, Sylvia

    . These applications have positive im- plications for sustainability (such as through telework), public access is limited, with fewer than 159,000 units shipping worldwide in 2009.1 As a starting point for fixing prob

  1. Characterization of selective binding of alkali cations with carboxylate by x-ray absorption spectroscopy of liquid microjets

    E-Print Network [OSTI]

    Uejio, Janel S.

    2008-01-01

    sodium acetate, and lithium acetate revealing distinctpotassium, and lithium with acetate and formate anions informate and acetate solutions containing lithium, sodium,

  2. Water-Chemistry Evolution and Modeling of Radionuclide Sorption and Cation Exchange during Inundation of Frenchman Flat Playa

    SciTech Connect (OSTI)

    Hershey, Ronald; Cablk, Mary; LeFebre, Karen; Fenstermaker, Lynn; Decker, David

    2013-08-01

    Atmospheric tests and other experiments with nuclear materials were conducted on the Frenchman Flat playa at the Nevada National Security Site, Nye County, Nevada; residual radionuclides are known to exist in Frenchman Flat playa soils. Although the playa is typically dry, extended periods of winter precipitation or large single-event rainstorms can inundate the playa. When Frenchman Flat playa is inundated, residual radionuclides on the typically dry playa surface may become submerged, allowing water-soil interactions that could provide a mechanism for transport of radionuclides away from known areas of contamination. The potential for radionuclide transport by occasional inundation of the Frenchman Flat playa was examined using geographic information systems and satellite imagery to delineate the timing and areal extent of inundation; collecting water samples during inundation and analyzing them for chemical and isotopic content; characterizing suspended/precipitated materials and archived soil samples; modeling water-soil geochemical reactions; and modeling the mobility of select radionuclides under aqueous conditions. The physical transport of radionuclides by water was not evaluated in this study. Frenchman Flat playa was inundated with precipitation during two consecutive winters in 2009-2010 and 2010-2011. Inundation allowed for collection of multiple water samples through time as the areal extent of inundation changed and ultimately receded. During these two winters, precipitation records from a weather station in Frenchman Flat (Well 5b) provided information that was used in combination with geographic information systems, Landsat imagery, and image processing techniques to identify and quantify the areal extent of inundation. After inundation, water on the playa disappeared quickly, for example, between January 25, 2011 and February 10, 2011, a period of 16 days, 92 percent of the areal extent of inundation receded (2,062,800 m2). Water sampling provided valuable information about chemical processes occurring during inundation as the water disappeared. Important observations from water-chemistry analyses included: 1) total dissolved solids (TDS) and chloride ion (Cl-) concentrations were very low (TDS: < 200 mg/L and Cl-: < 3.0 mg/L, respectively) for all water samples regardless of time or areal extent; 2) all dissolved constituents were at concentrations well below what might be expected for evaporating shallow surface waters on a playa, even when 98 to 99 percent of the water had disappeared; 3) the amount of evaporation for the last water samples collected at the end of inundation, estimated with the stable isotopic ratios ?2H or ?18O, was approximately 60 percent; and 4) water samples analyzed by gamma spectroscopy did not show any man-made radioactivity; however, the short scanning time (24 hours) and relative chemical diluteness of the water samples (TDS ranged between 39 and 190 mg/L) may have contributed to none being detected. Additionally, any low-energy beta emitting radionuclides would not have been detected by gamma spectroscopy. From these observations, it was apparent that a significant portion of water on the playa did not evaporate, but rather infiltrated into the subsurface (approximately 40 percent). Consistent with this water chemistry-based conclusion is particle-size analysis of two archived Frenchman Flat playa soils samples, which showed low clay content in the near surface soil that also suggested infiltration. Infiltration of water from the playa during inundation into the subsurface does not necessarily imply that groundwater recharge is occurring, but it does provide a mechanism for moving residual radionuclides downward into the subsurface of Frenchman Flat playa. Water-mineral geochemical reactions were modeled so that changes in the water chemistry could be identified and the extent of reactions quantified. Geochemical modeling showed that evaporation; equilibrium with atmospheric carbon dioxide and calcite; dissolution of sodium chloride, gypsum, and composite volcanic g

  3. Determinative Role of Exchange Cation and Charge Density of Smectites on their Adsorption Capacity and Affinity for Aflatoxin B1 

    E-Print Network [OSTI]

    Liu, Lian

    2013-08-14

    in food preparation, as well as break down aflatoxins to more soluble forms that can be removed by rinsing. Even at low CaO concentrations, nixtamalization was still effective in destroying aflatoxins during tortilla preparation (Arriola et al., 1988...) for 10 min, or until the supernatant became clear. The supernatant was siphoned off and the sediments were left in centrifuge bottles for further treatments. * Part of the data reported in this chapter...

  4. Identi cation of Y-Shaped and O-Shaped Diusion Regions During Magnetic Reconnection in a Laboratory Plasma

    E-Print Network [OSTI]

    with large Lundquist num- ber [1{4]. It is considered to be a key process in the evolution of solar ares [1/or con#12;guration change and in self-organization of laboratory plasmas. In recent studies of solar ares through soft X-ray pictures taken by the Yohkoh satel- lite [6], many large solar ares were

  5. Theoretical Study of the Role of a Metal-Cation Ensemble at the Oxide-Metal Boundary on CO Oxidation

    E-Print Network [OSTI]

    Li, Weixue

    *,, State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China ABSTRACT: Identification of the active sites

  6. Oxygen isotope fractionation effects in soil water via interaction with cations (Mg, Ca, K, Na) adsorbed to phyllosilicate clay minerals

    E-Print Network [OSTI]

    Goldsmith, Greg

    ) adsorbed to phyllosilicate clay minerals Erik Oerter a, , Kari Finstad a , Justin Schaefer b , Gregory R the isotope effects caused by high CEC clays in mineral­water systems, we created a series of monominerallic with quartz to determine the isotope effect of non-, or very minimally-, charged mineral surfaces. The d18 O

  7. LONG-TERM SALINITY PREDICTION WITH UNCERTAINTY ANALYSIS: APPPLI-CATION FOR THE COLORADO RIVER NEAR GLENWOOD SPRINGS, COLORADO

    E-Print Network [OSTI]

    were set as a result of the Federal Water Pollution Control Act Amendments of 1972. The Amendments, #12 Regional Office, Salt Lake City, Utah; Balaji Rajagopalan, Associate Professor, Water Resource Division water quality parameter regulated by federal water quality standards. Federal water quality standards

  8. An Ounce of Prevention is Worth a Pound of Cure Towards Physically-Correct Speci cations of

    E-Print Network [OSTI]

    . Examplesinclude commandand con- trol systems, nuclear reactors, process-control plants, robotics, avionics. For example, in a sim- ple sensori-motor robotic application 12], algorithms from various disciplines like low

  9. Celebrating 150 Years of exCellenCe in eduCation, researCh, and innovation

    E-Print Network [OSTI]

    Bergman, Keren

    --transforming modern cities to smart cities, opening up communication channels that connect people in all pockets that illustrate the impact of the School in New York City, in the nation, and in the world. The achievements by bringing sanitation, medical care, and clean drinking water to New York City, ushering in the modern city

  10. Azithromycin Synergizes with Cationic Antimicrobial Peptides to Exert Bactericidal and Therapeutic Activity Against Highly Multidrug-Resistant Gram-Negative

    E-Print Network [OSTI]

    Nizet, Victor

    , including virulence factor inhibition, bacterio- phage therapy, probiotics and immune boosting (Cegelski et

  11. Heating-Induced Micelle to Vesicle Transition in the Cationic-Anionic Surfactant Systems: Comprehensive Study and Understanding

    E-Print Network [OSTI]

    Huang, Jianbin

    . It is known that temperature has great effect on the nonionic surfactant systems. Usually such systems have concentrations and mixed surfactant ratios, while no such transition was found in Class B. Further investigations especially on the effect of cosurfactants' addition, pH, temperature, salts, force fields, etc. Compared

  12. Pinning lattice: Effect of rhenium doping on the microstructural evolution from Tl-2212 to Hg-1212 films during cation exchange

    E-Print Network [OSTI]

    Wu, Judy; Zhao, H.

    2004-08-15

    them. HgBa2CaCu2O6 films obtained from these Re-doped Tl-2212 precursor films have much improved microstructures with the pore dimension reduced by an order of magnitude. (C) 2004 American Institute of Physics....

  13. CSULB Department of JoUrnaLiSm & maSS CommUniCation aLUmni magazine

    E-Print Network [OSTI]

    Sorin, Eric J.

    Rachel Thomas Alison Truax Chie Uraki Tracy Wash II Sarah Whiteford Alisa Wong Beach Byline is Cal State on at the Daily 49er was of two students who were killed in a car accident. She recalls having to call the parents

  14. CATIONIC SHELL CROSSLINKED NANOPARTICLES AS INTRACELLULAR DELIVERY VEHICLES FOR THE DIAGNOSIS AND TREATMENT OF ACUTE LUNG INJURY 

    E-Print Network [OSTI]

    Florez, Stephanie

    2011-08-08

    on the development of polymer nanomaterials known as shell crosslinked knedel-like (SCK) nanoparticles to serve as intracellular carriers of genetic material and specifically target injured cells in the lung for the treatment of acute lung injury (ALI). SCK...

  15. A Four-Coordinate Fe(III) Porphyrin Cation Ming Fang, Scott R. Wilson, and Kenneth S. Suslick*

    E-Print Network [OSTI]

    Suslick, Kenneth S.

    or AgCF3SO3, which produces a color change from yellow to red (Figure 2). NMR, MALDI-TOF, and elemental coordinating anions (i.e., CB11H6Br6 -, SbF6 -, ClO4 -, and CF3SO3 -) all have exactly the same porphyrin 1H ppm for CB11H6Br6 -, -31.5 ppm for SbF6 -, 13 ppm for ClO4 -, and 39.3 ppm for CF3SO3 -.8,9 Possible

  16. AMENDMENT OF SOLIr ATI ON/MODIFI CATION OF CONTRACT 1. CONTRACT ID CODE PAGE OF PAGES

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach HomeA Better Anode Design to Improve4AJ01) (See Energy Level79AJ01)19^560 PrintALSNewsSOLIr ATI ON/MODIFI

  17. AMENDMENT OF SOLlClTATlONlMODlFlCATION OF CONTRACT 1 I . CONTR"CT ID CODE

    National Nuclear Security Administration (NNSA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield Municipal GasAdministration Medal01 Sandia National 1 PAGE 1 OF2 AMENDMENTNLUF1 82 Se( I-

  18. The Preston Geothermal Resources; Renewed Interest in a Known Geothermal Resource Area

    SciTech Connect (OSTI)

    Wood, Thomas R.; Worthing, Wade; Cannon, Cody; Palmer, Carl; Neupane, Ghanashyam; McLing, Travis L; Mattson, Earl; Dobson, Patric; Conrad, Mark

    2015-01-01

    The Preston Geothermal prospect is located in northern Cache Valley approximately 8 kilometers north of the city of Preston, in southeast Idaho. The Cache Valley is a structural graben of the northern portion of the Basin and Range Province, just south of the border with the Eastern Snake River Plain (ESRP). This is a known geothermal resource area (KGRA) that was evaluated in the 1970's by the State of Idaho Department of Water Resources (IDWR) and by exploratory wells drilled by Sunedco Energy Development. The resource is poorly defined but current interpretations suggest that it is associated with the Cache Valley structural graben. Thermal waters moving upward along steeply dipping northwest trending basin and range faults emanate in numerous hot springs in the area. Springs reach temperatures as hot as 84° C. Traditional geothermometry models estimated reservoir temperatures of approximately 125° C in the 1970’s study. In January of 2014, interest was renewed in the areas when a water well drilled to 79 m (260 ft) yielded a bottom hole temperature of 104° C (217° F). The well was sampled in June of 2014 to investigate the chemical composition of the water for modeling geothermometry reservoir temperature. Traditional magnesium corrected Na-K-Ca geothermometry estimates this new well to be tapping water from a thermal reservoir of 227° C (440° F). Even without the application of improved predictive methods, the results indicate much higher temperatures present at much shallower depths than previously thought. This new data provides strong support for further investigation and sampling of wells and springs in the Northern Cache Valley, proposed for the summer of 2015. The results of the water will be analyzed utilizing a new multicomponent equilibrium geothermometry (MEG) tool called Reservoir Temperature Estimate (RTEst) to obtain an improved estimate of the reservoir temperature. The new data suggest that other KGRAs and overlooked areas may need to be investigated using improved geothermal exploration methods.

  19. Thermal extraction analysis of five Los Azufres production wells

    SciTech Connect (OSTI)

    Kruger, Paul; Quijano, Luis

    1995-01-26

    Thermal energy extraction from five wells supplying 5-MWe wellhead generators in three zones of the Los Azufres geothermal field has been examined from production and chemical data compiled over 14-years of operation. The data, as annual means, are useful in observing small-scale changes in reservoir performance with continuous production. The chemical components are chloride for quality control and the geothermometer elements for reservoir temperatures. The flowrate and fluid enthalpy data are used to calculate the thermal extraction rates. Integration of these data provides an estimate of the total energy extracted from the zone surrounding the well. The combined production and chemical geothermometer data are used to model the produced fluid as coming from just-penetrating wells for which the annual produced mass originates from a series of concentric hemispheric shells moving out into the reservoir. Estimates are made of the drawdown distance into the reservoir and the far-field conditions.

  20. Automatic Classi cation of Subdwarf Spectra using a Neural Network C. Winter 1 , C.S. Je ery 1 and J.S. Drilling 2

    E-Print Network [OSTI]

    Jeffery, Simon

    outlined. Automated Classification Stellar spectra require the experience and judgement of a trained expert in order to be classi#12;ed. How- ever, current and future digital sky survey projects, like the SDSS 380 spectra across the three classification dimensions. Note the concentration of spectra at Lu

  1. Regional scale effects of base cation fertilization on Norway spruce and European beech stands situated on acid brown soils: soil and foliar chemistry

    E-Print Network [OSTI]

    Misson, Laurent

    2001-01-01

    M.R. , Nys C. , Effects of lime-induced differences in siteF. , Impact of dolomite lime on the ground vegetation and onof limestone and of limes- tone plus NPK fertilization on

  2. Neutral and Cationic Vanadium Bisimido Complexes: Their Synthesis, Characterization, and Application in the Binding, Activation, and Catalytic Functionalization of Small Molecules

    E-Print Network [OSTI]

    La Pierre, Henry Storms

    2011-01-01

    John Arnold, Robert G. Bergman, and F. Dean Toste J. Am.S. La Pierre, Robert G. Bergman, F. Dean Toste, and JohnProfs. John Arnold, Robert G. Bergman, and F. Dean Toste •

  3. Think positively : the structural basis of cation-binding and coupling of the multidrug and toxic-compound Extrusion (MATE) transporter family

    E-Print Network [OSTI]

    He, Xiao

    2010-01-01

    plant homolog Nt- JAT1 transporting secondary metaboliteSecondary transport as an efficient membrane transport mechanism for plant secondary metabolites.of secondary metabolites. Curr. Opin. Plant Biol. 8, 301-

  4. Distribution of cations in wurtzitic InxGa1-xN and InxAl1-xN alloys: Consequences for energetics and quasiparticle electronic structures

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

    de Carvalho, Luiz Cláudio; Schleife, André; Furthmüller, Jürgen; Bechstedt, Friedhelm

    2012-03-27

    The ternary, isostructural, wurtzite-derived group-III mononitride alloys InxGa1-xN andInxAl1-xN are reexamined within a cluster expansion approach. Using density functional theory together with the AM05 exchange-correlation functional, the total energies and the optimized atomic geometries of all 22 clusters classes of the cluster expansion for each material system are calculated. The computationally demanding calculation of the corresponding quasiparticle electronic structures is achieved for all cluster classes by means of a recently developed scheme to approximately solve the quasiparticle equation based on the HSE06 hybrid functional and the G?W? approach. Using two different alloy statistics, the configurational averages for the lattice parameters,more »the mixing enthalpies, and the bulk moduli are calculated. The composition-dependent electronic structures of the alloys are discussed based on configurationally averaged electronic states, band gaps, and densities of states. Ordered cluster arrangements are found to be energetically rather unfavorable, however, they possess the smallest energy gaps and, hence, contribute to light emission. The influence of the alloy statistics on the composition dependencies and the corresponding bowing parameters of the band gaps is found to be significant and should, hence, lead to different signatures in the optical-absorption or -emission spectra.« less

  5. 60 CoMMuniCAtionS oF thE ACM | AuguST 2012 | vOL. 55 | NO. 8 contributed articles

    E-Print Network [OSTI]

    Wicker, Stephen

    and congressional testimony by Apple's vice president for software technology26 a The file had already been

  6. Syntheses and characterization of energetic compounds constructed from alkaline earth metal cations (Sr and Ba) and 1,2-bis(tetrazol-5-yl)ethane

    SciTech Connect (OSTI)

    Xia Zhengqiang; Chen Sanping; Wei Qing; Qiao Chengfang

    2011-07-15

    Two new energetic compounds, [M(BTE)(H{sub 2}O){sub 5}]{sub n} (M=Sr(1), Ba(2)) [H{sub 2}BTE=1,2-bis(tetrazol-5-yl)ethane], have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that they are isomorphous and exhibit 2D (4,4) net framework, generated by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs linked up by two independent binding modes of H{sub 2}BTE, and the resulting 2D structure is interconnected by hydrogen-bond and strong face to face {pi}-{pi} stacking interactions between two tetrazole rings to lead to a 3D supramolecular architecture. DSC measurements show that they have significant catalytic effects on thermal decomposition of ammonium perchlorate. Moreover, the photoluminescence properties, thermogravimetric analyses, and flame colors of the as-prepared compounds are also investigated in this paper. - Graphical abstract: Two novel 2D isomorphous alkaline earth metal complexes were assembled by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two independent binding modes of H{sub 2}BTE ligands, and the catalytic performances toward thermal decomposition of ammonium perchlorate and photoluminescent properties of them were investigated. Highlights: > Two novel alkaline earth energetic coordination polymers have been prepared.{yields} Both structures are layered based on 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two distinct H{sub 2}BTE coordination modes.{yields} The dehydrated products of the compounds possess good thermostability and significant catalytic effects on thermal decomposition of AP.

  7. 74 CommuniCAtions of the ACm | OCTObER 2013 | vOl. 56 | nO. 10 contributed articles

    E-Print Network [OSTI]

    Zaki, Mohammed Javeed

    network13 and women's authorship of CS publica- tions in the ACM digital library.3 Several studies have science Research Doi:10.1145/2500892 Keywords in the ACM Digital Library and IEEE Xplore digital library fields. Cs continues to experience continuous and fundamental transformation; for example, in the past

  8. Regional scale effects of base cation fertilization on Norway spruce and European beech stands situated on acid brown soils: soil and foliar chemistry

    E-Print Network [OSTI]

    Misson, Laurent

    2001-01-01

    net N transformations in Norway spruce (Picea abies (L. )Vascular tissue anatomy of Norway spruce needles and twigsnutrient imbalances in Norway spruce, Ecol. Bull. 44 (

  9. To appear in Proceedings, International Symposium on Requirements Engineering, York, England, March 26-27, 1995 1 Consistency Checking of SCR-Style Requirements Speci cations

    E-Print Network [OSTI]

    ; a submarine communications system 12 ; and safety- critical components of two nuclear power plants

  10. 110 Curtin university of teChnology annual report 2012 CertiFiCAtion oF KeY PerForMAnCe indiCAtors

    E-Print Network [OSTI]

    Mucina, Ladislav

    ($) Ranking Strengthen research capability and performance. Enhance capacity and financial sustainability. k and performance. Enhance capacity and financial sustainability. m Research Publication (weighted Higher Education research capability and performance. Enhance capacity and financial sustainability. o Weig

  11. Influence of pH on the interlayer cationic composition and hydration state of Ca-montmorillonite: analytical chemistry, chemical modelling and XRD

    E-Print Network [OSTI]

    Boyer, Edmond

    intermediate-level long-lived radioactive wastes (ILLW wastes) consists of vitrified waste4 placed significantly by11 storage-induced perturbations. For example, the use of concrete for waste overpacks or the12. #12;2 1. INTRODUCTION1 2 One of the possible multi-barrier storage concepts developed in France for3

  12. Dr. Ing. /PhD / Dr.techn. Students supervised by Signe Kjelstrup 1. Torleif Holt, Transport and equilibrium properties of a cation exchange membrane (1983)

    E-Print Network [OSTI]

    Kjelstrup, Signe

    1983-01-01

    entropy production in an optimally controlled system (2004) 15. Anita Zvolinschi, On exergy analysis

  13. Effect of Explicit Cationic Size and Valence Constraints on the Phase Stability of 1:2 B-Site-Ordered Perovskite

    E-Print Network [OSTI]

    Poeppelmeier, Kenneth R.

    -Site-Ordered Perovskite Ruthenates Job T. Rijssenbeek,,# Takashi Saito, Sylvie Malo,§ Masaki Azuma, Mikio Takano and valence that control the crystallization of Sr3CaRu2O9 into a 1:2 B-site-ordered perovskite structure were+ , and Y3+ , whereas pseudocubic perovskites result for M ) Cu2+ and Zn2+. For A-site substitutions

  14. Distribution of cations in wurtzitic InxGa1-xN and InxAl1-xN alloys: Consequences for energetics and quasiparticle electronic structures

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

    de Carvalho, Luiz Cláudio; Schleife, André; Furthmüller, Jürgen; Bechstedt, Friedhelm

    2012-03-01

    The ternary, isostructural, wurtzite-derived group-III mononitride alloys InxGa1-xN andInxAl1-xN are reexamined within a cluster expansion approach. Using density functional theory together with the AM05 exchange-correlation functional, the total energies and the optimized atomic geometries of all 22 clusters classes of the cluster expansion for each material system are calculated. The computationally demanding calculation of the corresponding quasiparticle electronic structures is achieved for all cluster classes by means of a recently developed scheme to approximately solve the quasiparticle equation based on the HSE06 hybrid functional and the G?W? approach. Using two different alloy statistics, the configurational averages for the lattice parameters, the mixing enthalpies, and the bulk moduli are calculated. The composition-dependent electronic structures of the alloys are discussed based on configurationally averaged electronic states, band gaps, and densities of states. Ordered cluster arrangements are found to be energetically rather unfavorable, however, they possess the smallest energy gaps and, hence, contribute to light emission. The influence of the alloy statistics on the composition dependencies and the corresponding bowing parameters of the band gaps is found to be significant and should, hence, lead to different signatures in the optical-absorption or -emission spectra.

  15. Structure of a CutA1 divalent-cation tolerance protein from Cryptosporidium parvum, the protozoal parasite responsible for cryptosporidiosis

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

    Buchko, Garry W.; Robinson, Howard; Abendroth, Jan; Clitfon, Mathew C.; Zhang, Yanfeng; Hewitt, Stephen N.; Staker, Bart L.; Van Voorhis, Wesley C.; Mylera, Peter J.

    2015-05-01

    Cryptosporidiosis is an infectious disease caused by protozoan parasites from the Cryptosporidium species. Infection is associated with mild to severe diarrhea that usually resolves spontaneously in healthy human adults, but may lead to severe complications in young children and in immunocompromised patients. The genome of Cryptosporidium parvum contains a gene, CUTA_CRYPI, that may play a role in regulating the intracellular concentration of copper, a toxic element if left unchecked. Here we report the crystal structure for this CutA1 protein, Cp-CutA1, is reported at 2.0 Å resolution (4E98). As observed for other CutA1 structures, the 117-residue protein is a trimer withmore »a core ferrodoxin-like fold. Circular dichroism spectroscopy shows little unfolding of Cp-CutA1 up to 353 K. This robustness is corroborated by ¹H-¹?N HSQC spectra at 333 K that is characteristic of a folded protein, suggesting NMR spectroscopy may be a useful tool to further probe the function of the CutA1 proteins. While robust, Cp-CutA1 is not as stable as the homologous protein from a hyperthermophile, perhaps due to a wide ?-bulgein ?2 that protrudes P48 and S49 outside the ?-sheet.« less

  16. Critical residues involved in Toll-like receptor 4 activation by cationic lipid nanocarriers are not located at the lipopolysaccharide-binding interface

    E-Print Network [OSTI]

    Lonez, Caroline; Irvine, Kate L.; Pizzuto, Malvina; Schmidt, Boris I.; Gay, Nick J.; Ruysschaert, Jean-Marie; Gangloff, Monique; Bryant, Clare E.

    2015-05-09

    -1970. doi: 10.1016/j.bcp.2007.03.006 36 22 43. Kedmi,R, Ben-Arie,N, Peer,D (2010). The systemic toxicity of positively charged lipid 1 nanoparticles and the role of Toll-like receptor 4 in immune activation. Biomaterials 31: 6867-2 6875. doi: 10... .1016/j.biomaterials.2010.05.027 3 44. Uto,T, Akagi,T, Yoshinaga,K, Toyama,M, Akashi,M, Baba,M (2011). The induction of innate 4 and adaptive immunity by biodegradable poly(gamma-glutamic acid) nanoparticles via a 5 TLR4 and MyD88 signaling pathway...

  17. AuguST 2012 | vol. 55 | no. 8 | CoMMuniCAtionS oF thE ACM 97 Doi:10.1145/2240236.2240260

    E-Print Network [OSTI]

    Fernandez, Thomas

    to do such tasks automatically. We present a program- ming by example methodology that allows end users transformations of strings involving lookup in relational tables, and (c) layout transformations on spread- sheet and have evaluated it successfully over several benchmarks picked from various Excel help forums. 1. int

  18. Cyclization of N-alkyl azinium cations with bifunctional nucleophiles. 21. Regioisomeric 1,3,4-thiadiazino(5,6-b)quinoxalines

    SciTech Connect (OSTI)

    Baklykov, V.G.; Charushin, V.N.; Chupakhin, O.N.; Drozd, V.N.

    1987-10-01

    Thiobenzyhydrazides undergo cyclization with N-alkyl-quinoxalinium salts to give 5-alkyl-substituted 1,4,4a,5,10,10a-hexahydro-1,3,4-thiadiazino(5,6-b)quinoxalines, which undergo isomerization to 10-alkyl-substituted thiadiazinoquinoxalines when they are heated in ethanol or in the presence of acids. The IR spectra of suspensions of the compounds in mineral oil were recorded with a UR-20 spectrometer. The PMR spectra of solutions in d/sub 6/-DMSO were recorded with Perkin-Elmer R-12B (60 MHz) and Brucker WP-80 (80 MHz) spectrometers with tetramethylsilane (TMS) and hexamethyldisiloxane (HMDS) as the internal standards. The /sup 13/C NMR spectra of solutions in d/sub 6/-DMSO were recorded with Brucker WH-90 (22.62 MHz) and Varian FT-80A (20.13 MHz) spectrometers. The chemical shifts were measured with respect to the signal of the solvent (d/sub 6/-DMSO, 39.6 ppm).

  19. 86 CommuniCAtions of the ACm | oCtobER 2009 | vol. 52 | No. 10 rELATIONAL SySTEMS HAVE made it pos-

    E-Print Network [OSTI]

    Waldmann, Uwe

    a low-cost execution plan among all plans that are equivalent to the given query expression (consider in supporting complex decision-support queries would not have been a reality without innovation in query in- fluence the cost of executing the query. Examples of such statistical properties are total number

  20. Mechanism of Cation Exchange Process for Epitaxy of Superconducting HgBa2CaCu2O6 Films and Passive Microwave Devices

    E-Print Network [OSTI]

    Zhao, Hua

    2007-12-17

    and the rf JIP3 derived from the IP3 against reduced temperature suggests that the magnetic vortex depinning in HTS materials dominates the microwave nonlinearity at elevated temperatures. These encouraging results have marked Hg-1212 out as a promising...

  1. Synthesis of metal-metal oxide catalysts and electrocatalysts using a metal cation adsorption/reduction and adatom replacement by more noble ones

    DOE Patents [OSTI]

    Adzic, Radoslav; Vukmirovic, Miomir; Sasaki, Kotaro

    2010-04-27

    The invention relates to platinum-metal oxide composite particles and their use as electrocatalysts in oxygen-reducing cathodes and fuel cells. The invention particularly relates to methods for preventing the oxidation of the platinum electrocatalyst in the cathodes of fuel cells by use of these platinum-metal oxide composite particles. The invention additionally relates to methods for producing electrical energy by supplying such a fuel cell with an oxidant, such as oxygen, and a fuel source, such as hydrogen. The invention also relates to methods of making the metal-metal oxide composites.

  2. Chemical Logging At Dixie Valley Geothermal Area (Los Alamos National

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmentalBowerbank,CammackFLIR JumpMaine: EnergyEnergy Information Geothermometers

  3. Chemical Logging At North Brawley Geothermal Area (Department, 1979) | Open

    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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmentalBowerbank,CammackFLIR JumpMaine: EnergyEnergy Information GeothermometersEnergy

  4. Alaska Open-file Report 144 Assessment of Thermal Springs Sites Aleutian Arc, Atka Island to Becherof Lake -- Preliminary Results and Evaluation

    SciTech Connect (OSTI)

    Motyka, R.J.; Moorman, M.A.; Liss, S.A.

    1981-12-01

    Twenty of more than 30 thermal spring areas reported to exist in the Aleutian arc extending from Atka Island to Becherof Lake were investigated during July and August, 1980. Thermal activity of three of these sites had diminished substantially or no longer existed. At least seven more sites where thermal-spring activity is probable or certain were not visited because of their remoteness or because of time constraints. The existence of several other reported thermal spring sites could not be verified; these sites are considered questionable. On the basis of geothermometry, subsurface reservoir temperatures in excess of 150 C are estimated for 10 of the thermal spring sites investigated. These sites all occur in or near regions of Recent volcanism. Five of the sites are characterized by fumaroles and steaming ground, indicating the presence of at least a shallow vapor-dominated zone. Two, the Makushin Valley and Glacier Valley thermal areas, occur on the flanks of active Mukushin Volcano located on Unalaska Island, and may be connected to a common source of heat. Gas geothermometry suggests that the reservoir feeding the Kliuchef thermal field, located on the flanks of Kliuchef volcano of northeast Atka Island, may be as high as 239 C.

  5. Coronary CT angiography offers further risk stratification in the management of patients with normal SPECT results

    E-Print Network [OSTI]

    Budoff, Matthew J.; Hacioglu, Yalcin

    2010-01-01

    Coronary CT angiography offers further risk strati?cation inCoronary CT angiography offers further risk strati?cationCoronary CT angiography offers further risk strati?cation

  6. Rational Ligand Design for U(VI) and Pu(IV)

    E-Print Network [OSTI]

    Szigethy, Geza

    2010-01-01

    Design for the Uranyl Cation, UO 22+ ………………………. ……………….15tripodal ligands for uranyl chelation …………………….19 Figurestudies with the uranyl cation ………………………………………………. 36 Figure

  7. Ways of Knowing and Inclusive Management Practices

    E-Print Network [OSTI]

    Feldman, Martha S; Khademian, Anne M; Ingram, Helen; Schneider, Anne S

    2006-01-01

    plant diversi? cation and composting. Certi? cation stance,farmers’ practice of composting, which the regulationsbuilding blocks, research composting processes, such as

  8. K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9}: The first osmium perovskites containing alkali cations at the 'A' site

    SciTech Connect (OSTI)

    Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin

    2012-07-15

    K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9} were obtained from solid-state reactions of potassium superoxide, sodium peroxide and osmium metal at elevated oxygen pressures. K{sub 2}NaOsO{sub 5.5} crystallizes as an oxygen-deficient cubic double perovskite in space group Fm3{sup Macron }m with a=8.4184(5) A and contains isolated OsO{sub 6} octahedra. K{sub 3}NaOs{sub 2}O{sub 9} crystallizes hexagonally in P6{sub 3}/mmc with a=5.9998(4) A and c=14.3053(14) A. K{sub 3}NaOs{sub 2}O{sub 9} consists of face sharing Os{sub 2}O{sub 9} pairs of octahedra. According to magnetic measurements K{sub 2}NaOsO{sub 5.5} is diamagnetic, whereas K{sub 3}NaOs{sub 2}O{sub 9} displays strong antiferromagnetic coupling (T{sub N}=140 K), indicating enhanced magnetic interactions within the octahedral pair. - Graphical abstract: High oxidation states of Os, obtained by high oxygen pressure synthesis, are accommodated in double and triple perovskite matrices. K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions. Highlights: Black-Right-Pointing-Pointer New osmates containing highly oxidized Os were obtained by high O{sub 2} pressure synthesis. Black-Right-Pointing-Pointer High oxidation states of Os are accommodated in double and triple perovskite matrices. Black-Right-Pointing-Pointer Both compounds represent the first Os perovskites with an alkali metal at the A site. Black-Right-Pointing-Pointer K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions within the octahedral pair.

  9. NEAR-AND MID-INFRARED LABORATORY SPECTRA OF PAH CATIONS IN SOLID H2O M. P. Bernstein, S. A. Sandford, A. L. Mattioda, and L. J. Allamandola

    E-Print Network [OSTI]

    O at 15 K to low doses of UV radiation, we have observed both the vibrational absorptions of PAH. Sandford, A. L. Mattioda, and L. J. Allamandola NASA-Ames Research Center, Mail Stop 245-6, Moffett Field protostars. In such cold space environments PAHs should condense into H2O-rich ice mantles at low temperature

  10. Optical amplification in disordered electrooptic Tm{sup 3+} and Ho{sup 3+} codoped lanthanum-modified lead zirconate titanate ceramics and study of spectroscopy and communication between cations

    SciTech Connect (OSTI)

    Zhao, Hua; Zhang, Kun; Xu, Long; Sun, Fankui; Zhang, Jingwen; Chen, Xuesheng; Li, Kewen K.

    2014-02-21

    Rare earth doped electro-optic (EO) ceramics of lanthanum-modified lead zirconate titanate (PLZT) are promising in building multifunctional optical devices, by taking advantage of both EO effect and optical activity. In this work, the combination of the measured spectra of absorption and photoluminescence, the fluorescent decay, the calculated Judd-Ofelt parameters, and measured single pass gain in Tm{sup 3+}, Ho{sup 3+} codoped PLZT ceramics have marked them out as promising gain media in building electrically controllable lasers/optical amplifiers and other multifunctional devices. Optical energy storage was also observed in the optical amplification dynamics.

  11. W. Ng, V.C. Storey, and J. Trujillo (Eds.): ER 2013, LNCS 8217, pp. 463470, 2013. Springer-Verlag Berlin Heidelberg 2013

    E-Print Network [OSTI]

    Wieringa, Roel

    - cation of a foundational ontology named UFO, which is used as a semantically coherent reference model

  12. Transport Equations for Semiconductors Prof. Dr. Ansgar Jungel

    E-Print Network [OSTI]

    Jüngel, Ansgar

    - cations have been invented; for instance, semiconductor lasers, solar cells, light-emitting diodes (LED

  13. Polylipid nanoparticle, a Novel Lipid-based Vector for Liver Gene Transfer

    E-Print Network [OSTI]

    Wu, Jian

    2013-01-01

    main issues include: 1) the formation of aggregates between cationic lipids and serum pro? teins bearing

  14. Polylipid Nanoparticle, a Novel Lipid-Based Vector for Liver Gene Transfer

    E-Print Network [OSTI]

    Fan, Yahan; Wu, Jian

    2013-01-01

    main issues include: 1) the formation of aggregates between cationic lipids and serum pro? teins bearing

  15. Chiral Ionic Liquids: Synthesis, Properties, and Enantiomeric Recognition

    E-Print Network [OSTI]

    Reid, Scott A.

    and achiral cation toward another chiral molecule such as a quinine derivative. Introduction Ionic liquids

  16. Y. Lawrence Yao Department of Mechanical Engineering,

    E-Print Network [OSTI]

    Yao, Y. Lawrence

    potential appli- cations in aerospace, shipbuilding and other industries. Significant progress has been made

  17. Investigations of low-temperature geothermal potential in New York State

    SciTech Connect (OSTI)

    Hodge, D.S.; De Rito, R.; Hifiker, K.; Morgan, P.; Swanberg, C.A.

    1981-09-01

    Temperature gradient map and published heat flow data indicate a possible potential for a geothermal resource in western and central New York State. A new analysis of bottom-hole temperature data for New York State confirms the existence of three positive gradient anomalies: the East Aurora, Cayuga, and Elmira anomalies, with gradients as high as 32/sup 0/C/km, 36/sup 0/C/km, and 36/sup 0/C/km, respectively. Ground waters from two of these anomalies are enriched in silica relative to surrounding areas. Heat flows based on silica geothermometry are 50 to 70 mWm/sup -2/ for the anomalies and 41.4 mWm/sup -2/ for bordering regional flux. A correlation between Bouguer gravity anomalies and the temperature gradient map suggests that the geothermal anomalies may occur above radioactive granites in the basement.

  18. Boundary Creek thermal areas of Yellowstone National Park: II, thermal water analyses

    SciTech Connect (OSTI)

    Thompson, J.M. (Geological Survey, Menlo Park, CA); Hutchinson, R.A.

    1980-09-01

    Water samples from 28 thermal springs, 2 non-thermal springs, and 2 creeks from the Boundary Creek Thermal Areas (BCTA) in the southwestern corner of Yellowstone National Park were analyzed to help establish a chemical water-quality base line prior to possible geothermal exploitation of the Island Park Geothermal Area (IPGA). The springs, situated at the southwestern end of the Madison Plateau, are the Yellowstone Park thermal waters nearest to the IPGA and might respond to geothermal exploitation in the IPGA. Water temperatures ranging from 50/sup 0/ to 90/sup 0/C and low Cl concentrations (< 110 mgL/sup -1/) characterize spring waters in the BCTA. They are chemically distinct from the major geysers and hot springs in Yellowstone Park. The Na-K-Ca and silica geothermometers are in general agreement, usually within 10/sup 0/C, and indicate reservoir temperatures of 150 to 170/sup 0/C.

  19. An evaluation of the geothermal potential of the Tecuamburro Volcano area of Guatemala

    SciTech Connect (OSTI)

    Heiken, G.; Duffield, W. (eds.)

    1990-09-01

    Radiometric ages indicate that the Tecuamburro Volcano and three adjacent lava domes grew during the last 38,300 years, and that a 360-m-wide phreatic crater, Laguna Ixpaco, was formed near the base of these domes about 2900 years ago. Laguna Ixpaco is located within the Chupadero crater, from which pyroxene pumice deposits were erupted 38,300 years ago. Thus, the likelihood is great for a partly molten or solid-but-still-hot near-surface intrusion beneath the area. Fumaroles and hot springs issue locally from the Tecuamburro volcanic complex and near Laguna Ixpaco. Analyses of gas and fluid samples from these and other nearby thermal manifestations yield chemical-geothermometer temperatures of about 150{degree} to 300{degree}C, with the highest temperatures at Ixpaco. The existence of a commercial-grade geothermal reservoir beneath the Ixpaco area seems likely. 84 refs., 70 figs., 12 tabs.

  20. Gas Geochemistry of the Dogger Geothermal Aquifer (Paris Basin, France)

    SciTech Connect (OSTI)

    Criaud, A.; Fouillac, C.; Marty, B.; Brach, M.; Wei, H.F.

    1987-01-20

    The low enthalpy program developed in the Paris Basin provides the opportunity for studying the gas geochemistry of the calcareous aquifer of the Dogger. Hydrocarbons and CO{sub 2} are mainly biogenic, He displays high concentrations. He, Ar and N{sub 2} have multiple origins (radioactive decay, atmospheric migration, biochemical processes). The distribution of the gases in the zones of the basin varies in relation to the general chemistry, sedimentology and hydrodynamics. The gas geothermometers do not apply to this environment but useful estimations of the redox potential of the fluid can be derived from CO{sub 2}/CH{sub 4} and N{sub 2}/NH{sub 4}{sup +} ratios. H{sub 2} and H{sub 2}S are involved in corrosion processes and scaling in the pipes. 12 refs., 3 figs., 2 tabs.

  1. Lithium cobalt(II) pyrophosphate, Li[subscript 1.86]CoP[subscript...

    Office of Scientific and Technical Information (OSTI)

    of intersecting tunnels containing Li cations and could be of great interest in Li ion battery chemistry. The structure also exhibits cation disorder with 13.5% Co residing at the...

  2. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    of intersecting tunnels containing Li cations and could be of great interest in Li ion battery chemistry. The structure also exhibits cation disorder with 13.5% Co residing at the...

  3. The role of biomass in California's hydrogen economy

    E-Print Network [OSTI]

    Parker, Nathan C; Ogden, Joan; Fan, Yueyue

    2009-01-01

    technologies, gasi?cation and biogas reforming. Gasi?cation55% conversion ef?ciency. Biogas, a methane-rich gas, can beanaerobic digestion. Biogas, land?ll gas, and wastewater

  4. Cutting tools and wear resistant articles and material for same

    DOE Patents [OSTI]

    Tien, Tseng-Ying (Ann Arbor, MI); Huang, Zhen-Kun (Ann Arbor, MI)

    2000-01-01

    A ceramic having a relatively high proportion of an alpha prime SiAlON phase and exhibiting high hardness and toughness. In a particularly preferred embodiment, a cation of Gd is used as a modifying cation.

  5. This article was originally published in a journal published by Elsevier, and the attached copy is provided by Elsevier for the

    E-Print Network [OSTI]

    Volesky, Bohumil

    and hydrochloric acids, calcium nitrate and chloride salts, EDTA, oxalic and diglycolic acids. 95­100% desorption of cations from solution, functioning by this way as a cation exchanger. Cadmium [3,4], chromium [5], copper

  6. Aggie Band - Unknown Date - 10 

    E-Print Network [OSTI]

    Unknown

    2006-11-22

    in the interlayer of smectites: 1) exchanging interlayer cations, 2) selecting natural bentonites with different cation exchange capacities (CEC), and 3) reducing charge density of a high CEC smectite. Six bentonites were fractionated, with their major...

  7. Ensemble Procedures for Finding High Risk Prison Inmates

    E-Print Network [OSTI]

    Richard A. Berk; Jong-Ho Baek

    2011-01-01

    Handbook for Evaluating Prison Clas- si?cations Systems. SanDi?erences in Predictors of Prison Violence: Assessing theInstitute of Corrections Prison Classi?cation Peer Training

  8. Oxidative Coupling of ortho-Aminophenols and Anilines for the Application of Labeling Proteins with Fluorine-18

    E-Print Network [OSTI]

    Behrens, Christopher Richard

    2012-01-01

    a cation exchange column and trapped on a C18 cartridge.was eluted from the C18 cartridge with a methanolic solutionbe trapped on the C18 cartridge. Passage through the cation

  9. Metal interactions and activities of truncated and extended hammerhead ribozyme constructs 

    E-Print Network [OSTI]

    Osborne, Edith Marie

    2007-04-25

    The hammerhead ribozyme (HHRz) catalyzes a site-specific phosphodiester bond cleavage reaction that is enhanced by the presence of metal cations. Metal cations are thought to aid in the folding and possibly the catalytic mechanism of this ribozyme...

  10. NEW METHODS FOR THE STATISTICAL ANALYSIS OF HIDDEN MARKOV MODELS 1 New methods for the statistical analysis of Hidden

    E-Print Network [OSTI]

    Michaletzky, György

    of appli- cations in such diverse areas as nano-tecnology [26], quantized Gaussian linear regression [13

  11. American, Chinese, and Japanese students’ acceptance of their parents’ values about academic and social activities

    E-Print Network [OSTI]

    Chen, C

    2015-01-01

    emi Iffiemeomem EDuCATIONAL RESOURCES INFORMATION CENTERBY C.Inern TO THE EDUCATIONAL RESOURCES INFORMATION CENTER (

  12. Monotonic Target Assignment for Robotic Networks

    E-Print Network [OSTI]

    Smith, Stephen L; Bullo, Francesco

    2009-01-01

    How, “A robust approach to the UAV task assignment problem,”has many appli- cations in UAV surveillance and exploration,

  13. Focused ion beam modification of atomic force microscopy tips for near-field scanning optical microscopy

    E-Print Network [OSTI]

    Krogmeier, Jeffrey R.; Dunn, Robert C.

    2001-12-01

    fabri- cation process and the need for expensive FIB instrumenta- tion, but these impediments may be minimized as the fabri- cation techniques are refined. Since these tips share many of the physical characteristics of AFM probes, they should be capable... fabri- cation process and the need for expensive FIB instrumenta- tion, but these impediments may be minimized as the fabri- cation techniques are refined. Since these tips share many of the physical characteristics of AFM probes, they should be capable...

  14. Bilateral infraorbital nerve blocks decrease postoperative pain but do not reduce time to discharge following outpatient nasal surgery

    E-Print Network [OSTI]

    2009-01-01

    al. The ef?cacy of celecoxib premedication on postoperativecacy of premedi- cation with celecoxib and acetaminophen in

  15. Albert-Ludwigs-Universitt Freiburg Equal Opportunity Plan

    E-Print Network [OSTI]

    Just, Armin

    of implementation of these measures as per §§ 4 paragraphs 1 and 7 of the LHG (State Higher Edu- cation Act

  16. Membrane Protein Crystallization in Lipidic Mesophases. Hosting...

    Office of Scientific and Technical Information (OSTI)

    CATIONS; CRYSTALLIZATION; CRYSTALLOGRAPHY; CRYSTALS; HOST; LIPIDS; MEMBRANE PROTEINS; MEMBRANES; NUCLEAR MAGNETIC RESONANCE; PEPTIDES; RANGE; SHAPE; SIZE Word Cloud More...

  17. A Framework for Measuring Changes in Data Characteristics Venkatesh Ganti Johannes Gehrke Raghu Ramakrishnany

    E-Print Network [OSTI]

    the following appli- cation. A sales analyst who is monitoring a dataset (e.g., weekly sales for Walmart) may

  18. Concurrent Regular Expressions and their Relationship to Petri Nets Vijay K. Garg 1

    E-Print Network [OSTI]

    Garg, Vijay

    the speci cations based on such models are Path Pascal 4], COSY 17], CCS 21] and Paisley 30]. The transition

  19. Nano-scale Sensor Networks for Chemical Eisa Zarepour1

    E-Print Network [OSTI]

    New South Wales, University of

    natural gas to liquid fuel. Given that reliable wireless communi- cation at nano-scale is at very early

  20. Eur. Phys. J. D (2010) DOI: 10.1140/epjd/e2010-10118-y

    E-Print Network [OSTI]

    Ebeling, Werner

    2010-01-01

    for the appli- cations in geocosmical alkali plasma research [10]. Near the critical point and at higher