Sample records for geothermometry cation geothermometers

  1. Cation Geothermometers | Open Energy Information

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    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, click here.Telluric Survey as explorationpage? ForChinaOpen EnergyCation

  2. Cation geothermometry in oil field waters

    SciTech Connect (OSTI)

    Smith, L.K.; Dunn, T.L.; Surdam, R.C. (Univ. of Wyoming, Laramie, WY (United States))

    1992-01-01T23:59:59.000Z

    The assumptions used in the development of cation ratio geothermometers are: (1) the ratios of the cations are controlled by cation exchange between solid silicate phases, (2) aluminum is conserved in the solid phases, and (3) neither hydrogen ions nor CO[sub 2] enter into the net reactions. These assumptions do not apply to oilfield waters where organic species are present and commonly abundant. Nine different published cation geothermometers of Na/K, Na-K-Ca, Na-K-Ca-Mg, and Mg/Li were applied to 309 water samples from both oilfield and geothermal wells. None of the cation geothermometers predicted consistent or accurate temperatures for the oilfield waters. Plots of measured v. predicted temperature for oilfield water samples gave correlation coefficients of less than 0.35. In contrast, those same plots for geothermal water samples within the same temperature range gave correlation coefficients between 0.45 and 0.95. This analysis suggests that the presence of organic species exerts a strong control on the cation ratios. Organic species form complexes of varying stability with the cations. This, in turn, changes the relative concentrations of the cations in solution over that which is expected when cation exchange between silicate phases controls the ratios. Organic complexes also strongly affect pH and P[sub CO[sub 2

  3. Improvements in geothermometry. Final technical report

    SciTech Connect (OSTI)

    Potter, J.; Dibble, W.; Parks, G.; Nur, A.

    1982-07-01T23:59:59.000Z

    The following are covered: the basis of the Na-K-Ca geothermometer, geothermometry via model calculations, non ideality and complexing, and experimental calibration.

  4. Multicomponent Equilibrium Models for Testing Geothermometry Approaches

    SciTech Connect (OSTI)

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

    2013-02-01T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Pope, Leslie Anne

    1985-01-01T23:59:59.000Z

    at the lower temperatures, and 5) thermal waters do not mix with shallower, cooler ground water. Silica geothermometer The dissolved silica content of geothermal water is used in geothermometry because silica is present in most geologic settings... This presents a real problem in evaluation of the geo- thermal potential of the area; one method gives reservoir temperatures high enough for potential geothermal energy use but another gives temperatures that are too low. The waters studied by Henry can...

  6. A new illite geothermometer

    SciTech Connect (OSTI)

    Ballantyne, Judith M.; Moore, Joseph N.

    1988-01-01T23:59:59.000Z

    Sericite, either as illite or illite/smectite, is ubiquitous in geothermal systems. Theoretical Ca- and Na-smectite contents of non-expanding geothermal sericites have been calculated from published electron microprobe analyses. Geothermal sericites can be modeled as solid solutions of muscovite and smectite. For those sericites that fit the model, the amount of smectite in solid solution is related to temperature by the expression TºC = 1000/(0.45LogX{sub smectite} + 2.38) – 273. The temperature dependence of illite interlayer chemistry suggests a related temperature dependence of the K, Na and Ca content of geothermal fluids. The original data used by Fournier and Truesdell (1973) to derive the empirical Na-K-Ca geothermometer for geothermal fluids can be modeled equally well by an equation incorporating the equilibrium constant for the reaction of smectite to illite: T ºC = 1.145*10{sup 3}/([0.35LogNa + 0.175LogCa – 0.75LogK] + 1.51) – 273, where the concentration units are molalities. This supports the hypothesis that illite and illite/smectite are important controls on the concentrations of Na, K and Ca in geothermal fluids.

  7. Improvements in geothermometry. Final technical report. Rev

    SciTech Connect (OSTI)

    Potter, J.; Dibble, W.; Parks, G.; Nur, A.

    1982-08-01T23:59:59.000Z

    Alkali and alkaline earth geothermometers are useful for estimating geothermal reservoir temperatures, though a general theoretical basis has yet to be established and experimental calibration needs improvement. Equilibrium cation exchange between feldspars provided the original basis for the Na-K and Na-K-Ca geothermometers (Fournier and Truesdell, 1973), but theoretical, field and experimental evidence prove that neither equilibrium nor feldspars are necessary. Here, evidence is summarized in support of these observations, concluding that these geothermometers can be expected to have a surprisingly wide range of applicability, but that the reasons behind such broad applicability are not yet understood. Early experimental work proved that water-rock interactions are slow at low temperatures, so experimental calibration at temperatures below 150/sup 0/ is impractical. Theoretical methods and field data were used instead for all work at low temperatures. Experimental methods were emphasized for temperatures above 150/sup 0/C, and the simplest possible solid and solution compositions were used to permit investigation of one process or question at a time. Unexpected results in experimental work prevented complete integration of the various portions of the investigation.

  8. 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.

    2015-04-01T23:59:59.000Z

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

  9. Integrated Chemical Geothermometry System for Geothermal Exploration

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

    interpretations) * Reduce exploration and development costs Innovation * Numerical optimization of multicomponent chemical geothermometry at multiple locations * Integration with...

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

    Open Energy Info (EERE)

    ENERGYGeothermal Home Exploration Activity: Geothermometry At Central Nevada Seismic Zone Region (Shevenell & De Rocher, 2005) Exploration Activity Details Location...

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

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

    Open Energy Info (EERE)

    (Shevenell & De Rocher, 2005) Exploration Activity Details Location Walker-Lane Transition Zone Geothermal Region Exploration Technique Geothermometry Activity Date Usefulness...

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

    Home Exploration Activity: Geothermometry At Long Valley Caldera Geothermal Area (Farrar, Et Al., 2003) Exploration Activity Details Location Long Valley Caldera Geothermal...

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

    Open Energy Info (EERE)

    Basis Temperature estimation of valley-fill hydrothermal reservoir Notes Si, Na-K, & Na-K-Ca geothermometry estimates yielded a reservoir temperature range of 97 to 188...

  16. 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

    2013-02-01T23:59:59.000Z

    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.

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

    Open Energy Info (EERE)

    a direct result of high potassium concentrations in the water. A correction for carbon dioxide applied to the Na-K-Ca geothermometer lowers the estimated temperatures of the...

  18. Stabilization of kerogen thermal maturation: Evidence from geothermometry and burial history reconstruction, Niobrara Limestone, Berthoud oil field, western Denver Basin, Colorado

    SciTech Connect (OSTI)

    Barker, C.E.; Crysdale, B.L. (Geological Survey, Denver, CO (USA))

    1990-05-01T23:59:59.000Z

    The burial history of this fractured Niobrara Limestone reservoir and source rock offers a setting for studying the stabilization of thermal maturity because soon after peak temperature of approximately 100{degree}C was reached, exhumation lowered temperature to about 60-70{degree}C. Vitrinite reflectance (Rm = 0.6-0.7%) and published clay mineralogy data from the Niobrara Limestone indicate that peak paleotemperature was approximately 100{degree}C. Fluid inclusion data also indicate oil migration occurred at 100{degree}C. Burial history reconstruction indicates 100{degree}C was reached in the Niobrara Limestone only during minimum burial, which occurred at 70 Ma and 8000 ft depth. However, erosion beginning at 70 Ma and continuing until 50 Ma removed over 3,000 ft of rock. This depth of erosion agrees with an Rm of 0.4% measured in surface samples of the Pierre Shale. The exhumation of the reservoir decreased temperature by about 30{degree}C to near the corrected bottom-hole temperature of 50-70{degree}C. Lopatin time-temperature index (TTI) analysis suggests the Niobrara Limestone as a source rock matured to the oil generation stage (TTI = 10) about 25 Ma, significantly later than maximum burial, and after exhumation caused cooling. The Lopatin TTI method in this case seems to overestimate the influence of heating time. If time is an important factor, thermal maturity should continue to increase after peak burial and temperature so that vitrinite reflectance will not be comparable to peak paleotemperatures estimated from geothermometers set at near-peak temperature and those estimated from burial history reconstruction. The agreement between geothermometry and the burial history reconstruction in Berthoud State 4 suggests that the influence of heating time must be small. The elapsed time available at near peak temperatures was sufficient to allow stabilization of thermal maturation in this case.

  19. Validation of Multicomponent Equilibrium Geothermometry at Four Geothermal Power Plants

    SciTech Connect (OSTI)

    Ghanashyam Neupane; Jeffrey S Baum; Earl D Mattson; Gregory L Mines; Carl D Palmer; Robert W Smith

    2001-01-01T23:59:59.000Z

    This paper evaluates our ability to predict geothermal reservoir temperatures using water compositions measured from surface hot springs or shallow subsurface wells at four geothermal sites prior to the startup of geothermal energy production using RTEst, a multicomponent equilibrium geothermometer we have developed and are testing. The estimated reservoir temperatures of these thermal expressions are compared to measured bottom-hole temperatures of production wells at Raft River, ID; Neal Hot Springs, OR; Roosevelt Hot Springs, UT; and Steamboat Springs, NV geothermal sites. In general, temperatures of the producing reservoir estimated from the composition of water from surface expressions/shallow wells using RTEst are similar to the measured bottom-hole temperatures. For example, estimates for the Neal Hot Springs system are within ±10 ºC of the production temperatures. However, some caution must be exercised in evaluating RTEst predictions. Estimated temperature for a shallow Raft River well (Frazier well) is found to be slightly lower (ca. 15 ºC) than the bottom-hole temperatures from the geothermal plant production wells. For the Raft River system, local geology and fluid mixing model indicate that the fluid source for this shallow well may not have originated from the production reservoir. Similarly, RTEst results for Roosevelt Hot springs and Steamboat Springs geothermal areas were found consistent with the reservoir temperatures obtained from deep wells. These results suggest that the RTEst could be a valuable tool for estimating temperatures and evaluation geothermal resources.

  20. Silica Geothermometers | Open Energy Information

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  1. Multicomponent Geothermometers | Open Energy Information

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  2. Geothermometry | Open Energy Information

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  3. Comproportionation of Cationic and Anionic Tungsten Complexes...

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

    Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand to Give the Isolable 17 Comproportionation of Cationic and Anionic Tungsten...

  4. 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)

    2014-05-01T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

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

  6. Cationic electrodepositable coating composition comprising lignin

    SciTech Connect (OSTI)

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

    2013-07-30T23:59:59.000Z

    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.

  7. Geology, hydrothermal petrology, stable isotope geochemistry, and fluid inclusion geothermometry of LASL geothermal test well C/T-1 (Mesa 31-1), East Mesa, Imperial Valley, California, USA

    SciTech Connect (OSTI)

    Miller, K.R.; Elders, W.A.

    1980-08-01T23:59:59.000Z

    Borehole Mesa 31-1 (LASL C/T-1) is an 1899-m (6231-ft) deep well located in the northwestern part of the East Mesa Geothermal Field. Mesa 31-1 is the first Calibration/Test Well (C/T-1) in the Los Alamos Scientific Laboratory (LASL), Geothermal Log Interpretation Program. The purpose of this study is to provide a compilation of drillhole data, drill cuttings, well lithology, and formation petrology that will serve to support the use of well LASL C/T-1 as a calibration/test well for geothermal logging. In addition, reviews of fluid chemistry, stable isotope studies, isotopic and fluid inclusion geothermometry, and the temperature log data are presented. This study provides the basic data on the geology and hydrothermal alteration of the rocks in LASL C/T-1 as background for the interpretation of wireline logs.

  8. 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)

    1998-01-01T23:59:59.000Z

    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.

  9. 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 cation tools. Keywords: synchronous programming, theorem proving, the steam- boiler problem. 1

  10. Liquid Geothermometry | Open Energy Information

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    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere I Geothermal Pwer Plant Jump to:Landowners and WindLightingLinthicum, Maryland: Energy

  11. Gas Geothermometry | Open Energy Information

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    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnualPropertyd8c-a9ae-f8521cbb8489InformationFrenchtown, NewG22 Jump to:Garnet Wind

  12. Isotope Geothermometry | Open Energy Information

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  13. Elucidating the Higher Stability of Vanadium (V) Cations in Mixed...

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

    Elucidating the Higher Stability of Vanadium (V) Cations in Mixed Acid Based Redox Flow Battery Electrolytes. Abstract: The Vanadium (V) cation structures in mixed acid based...

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

    Open Energy Info (EERE)

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

  15. Category:Silica Geothermometers | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, click here. Category:ConceptualGeothermal Regulatory

  16. Evaluation Of Chemical Geothermometers For Calculating Reservoir

    Open Energy Info (EERE)

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  17. 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.

    1998-04-28T23:59:59.000Z

    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.

  18. Cationic Ruthenium Catalysts for Olefin Hydrovinylation

    E-Print Network [OSTI]

    Sanchez, Richard P., Jr

    2010-01-14T23:59:59.000Z

    CATIONIC RUTHENIUM CATALYSTS FOR OLEFIN HYDROVINYLATION A Thesis by RICHARD P. SANCHEZ, JR. Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER... OF SCIENCE August 2009 Major Subject: Chemistry CATIONIC RUTHENIUM CATALYSTS FOR OLEFIN HYDROVINYLATION A Thesis by RICHARD P. SANCHEZ, JR. Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment...

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

    E-Print Network [OSTI]

    Sergo, Kevin Michael

    2013-01-01T23:59:59.000Z

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

  20. Cationically polymerizable monomers derived from renewable sources

    SciTech Connect (OSTI)

    Crivello, J.V.

    1991-10-01T23:59:59.000Z

    The objective of this project is to make use of products obtained from renewable plant sources as monomers for the direct production of polymers which can be used for a wide range of plastic applications. In this report is described progress in the synthesis and polymerization of cationically polymerizable monomers and oligomers derived from botanical oils, terpenes, natural rubber, and lignin. Nine different botanical oils were obtained from various sources, characterized and then epoxidized. Their photopolymerization was carried out using cationic photoinitiators and the mechanical properties of the resulting polymers characterized. Preliminary biodegradation studies are being conducted on the photopolymerized films from several of these oils. Limonene was cationically polymerized to give dimers and the dimers epoxidized to yield highly reactive monomers suitable for coatings, inks and adhesives. The direct phase transfer epoxidation of squalene and natural rubber was carried out. The modified rubbers undergo facile photocrosslinking in the presence of onium salts to give crosslinked elastomers. 12 refs., 3 figs., 10 tabs.

  1. Distributed Controller Synthesis for Local Speci cations

    E-Print Network [OSTI]

    Parthasarathy, Madhusudan

    | and a speci#12;cation, say, a temporal logic formula. The plant is viewed as an existing program which speci Institute of Technology, Atlanta, USA (On leave from Chennai Mathematical Institute, Chennai, India) thiagu as a temporal logic formula, whether there exists a program for the system such that no matter how

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

    E-Print Network [OSTI]

    Kherb, Jaibir

    2012-02-14T23:59:59.000Z

    . More polarizable cations, however, can solvate the hydrophobic moieties and somewhat counter the salting-out effect of the chloride anion. More charged and hydrated ions like lithium and divalent cations showed a weak interaction to the amide moiety...

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

    E-Print Network [OSTI]

    Steam boiler control speci cation problem: A TLA solution Frank Le ke and Stephan Merz Institut fur We propose a solution to the steam boiler control speci cation problem AS] by means of a formal speci

  4. The Effect of Temperature, Cations, and Number of Acyl Chains...

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

    of Temperature, Cations, and Number of Acyl Chains on the Lamellar to Non-Lamellar Transition in Lipid-A Membranes: A The Effect of Temperature, Cations, and Number of Acyl...

  5. 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

    1958-01-01T23:59:59.000Z

    &IBRARY A 4 N COLLEGE OF TEXAS THE EFFECT OF VARIOUS CROPPING SYSTEMS UPON ORGANIC MATTER, TOTAL NITROGEN, CATION EXCHANGE CAPACITY, EXCHANGEABLE CATIONS, CONDUCTIVITY AND REACTION. A Thesis By MOHAMMAD ABDUL MANNAN Submitted...

  6. Alkaline earth cation extraction from acid solution

    DOE Patents [OSTI]

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

    2003-01-01T23:59:59.000Z

    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.

  7. Low cation coordination in oxide melts

    SciTech Connect (OSTI)

    Skinner, Lawrie [State University of New York, Stony Brook] [State University of New York, Stony Brook; Benmore, Chris J [Argonne National Laboratory (ANL)] [Argonne National Laboratory (ANL); Du, Jincheng [University of North Texas] [University of North Texas; Weber, Richard [Argonne National Laboratory (ANL)] [Argonne National Laboratory (ANL); Neuefeind, Joerg C [ORNL] [ORNL; Tumber, Sonia [Materials Development, Inc., Evanston, IL] [Materials Development, Inc., Evanston, IL; Parise, John B [Stony Brook University (SUNY)] [Stony Brook University (SUNY)

    2014-01-01T23:59:59.000Z

    The complete set of Faber-Ziman partial pair distribution functions for a rare earth oxide liquid were measured for the first time by combining aerodynamic levitation, neutron diffraction, high energy x-ray diffraction and isomorphic substitution using Y2 O3 and Ho2 O3 melts. The average Y- O coordination is measured to be 5.5(2), which is significantly less than the octahedral coordination of crystalline Y2 O3 (or Ho2 O3 ). Investigation of high temperature La2 O3 , ZrO2 , SiO2 , and Al2 O3 melts by x-ray diffraction and molecular dynamics simulations also show lower-than-crystal cation- oxygen coordination. These measurements suggest a general trend towards lower M-O coordination compared to their crystalline counterparts. It is found that this coordination number drop is larger for lower field strength, larger radius cations and is negligible for high field strength (network forming) cations. These findings have broad implications for predicting the local structure and related physical properties of metal-oxide melts and oxide glasses.

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

    E-Print Network [OSTI]

    Park, Jong-Sang

    Surface, Biodegradable Three-Dimensional Structure, and Tertiary Amine Groups in the Interior Yong-beom Lim, Seon-Mi Kim, Yan Lee, Woo-kyoung Lee, Tae-gyun Yang, Min-jae Lee, Hearan Suh, and Jong-sang Park swelling or osmotic effects. It has been reported that biodegradable cationic polymers are nontoxic

  9. 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)

    1999-01-01T23:59:59.000Z

    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.

  10. 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.

    1999-03-02T23:59:59.000Z

    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.

  11. Nanoheterostructure Cation Exchange: Anionic Framework Conservation

    SciTech Connect (OSTI)

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

    2010-05-11T23:59:59.000Z

    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.

  12. Nanoscale Phase Separation, Cation Ordering, and Surface Oxygen...

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

    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...

  13. active cation transport: Topics by E-print Network

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

    of hexadecyltrimethylammonium (HDTMA into surface water is a major cause of lake Eutrophication 2. Removal of surfactants from waste water Li, Zhaohui 7 Cationic Amino Acid...

  14. Deductive Veri cation of Advanced Out-of-Order Microprocessors ?

    E-Print Network [OSTI]

    Bryant, Randal E.

    Deductive Veri#12;cation of Advanced Out-of-Order Microprocessors ? Shuvendu K. Lahiri and Randal E. This paper demonstrates the modeling and deductive ver- i#12;cation of out-of-order microprocessors Functions (CLU). The microprocessors support combinations of out-of-order instruction execution, superscalar

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

    DOE Patents [OSTI]

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

    1982-05-18T23:59:59.000Z

    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.

  16. Functional Speci cation of Real-Time and Hybrid Systems ?

    E-Print Network [OSTI]

    of embedded real-time systems in a physical environment. Recently, a number of description and spec- i cationSys" and by BMW (Bay- erische Motoren Werke AG). #12;slight modi cations must be carried through, so, or sent to, the environment. Therefore, every channel re ects an input or output communication history

  17. Mechanical veri cation of a rule-based uni cation algorithm in the Boyer-Moore theorem prover

    E-Print Network [OSTI]

    Reina, José Luis Ruiz

    Mechanical veri#12;cation of a rule-based uni#12;cation algorithm in the Boyer-Moore theorem prover J.L. Ruiz-Reina, J.A. Alonso, M.J. Hidalgo and F.J. Mart#19;#16;n fjruiz are formalized using the Boyer-Moore logic and carried out mechanically using the Boyer-Moore theorem prover

  18. Effects of Cesium Cations in Lithium Deposition via Self-Healing...

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

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

  19. aromatic hydrocarbon cations: Topics by E-print Network

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

    11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 NEAR-INFRARED SPECTROSCOPY OF NITROGENATED POLYCYCLIC AROMATIC HYDROCARBON CATIONS FROM 0.7 TO 2.5...

  20. antimonate cation exchanger: Topics by E-print Network

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

    system is the identi cation of the des- tination process for a network performance bottle- neck that may be amenable to optimization in various forms (see, for example, 1,...

  1. Cation dopant distributions in nanostructures of transition-metal...

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

    dopant distributions in nanostructures of transition-metal doped ZnO:Monte Carlo simulations. Cation dopant distributions in nanostructures of transition-metal doped ZnO:Monte...

  2. Coverage Dependent Charge Reduction of Cationic Gold Clusters...

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

    charged cationic cluster species (Au11L53+, mz 1409, L 1,3-bis(diphenylphosphino)propane) which was delivered to the surfaces of four different self-assembled monolayers...

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

    DOE Patents [OSTI]

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

    1998-12-22T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

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

    1997-07-29T23:59:59.000Z

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

  5. Geothermal: Sponsored by OSTI -- Improved Geothermometry Through...

    Office of Scientific and Technical Information (OSTI)

    of Geomicrobiological Influences on Geochemical Temperature Indicators: Final Report Geothermal Technologies Legacy Collection HelpFAQ | Site Map | Contact Us HomeBasic Search...

  6. Integrated Chemical Geothermometry System for Geothermal Exploration

    Broader source: Energy.gov [DOE]

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

  7. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, click here. Category:Conceptual Model Add.pngpage? For detailed information

  8. Category: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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, click here. Category:Conceptual Model Add.pngpage?source History

  9. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, click here. Category:Conceptual Model Add.pngpage?sourcehelp

  10. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, click here. Category:Conceptual Model

  11. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG Jump to:

  12. 182 28th ANNUAL eMS Sorption and Desorption of Quaternary Amine Cations on Clays

    E-Print Network [OSTI]

    Sparks, Donald L.

    182 28th ANNUAL eMS Sorption and Desorption of Quaternary Amine Cations on Clays Z. Z. Zhang and D of organic cations on clays was first studied by Hendricks1. It has been shown that organic cations to measure the cation exchange capacity of the clay2 as well as to determine the specific surface area3

  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)

    1999-01-01T23:59:59.000Z

    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.

    2004-12-14T23:59:59.000Z

    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. Chemical Geothermometers And Mixing Models For Geothermal Systems | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, click here.Telluric SurveyChelan County, Washington: EnergyChemical Design

  16. Procedure Speci cations in 10.1 Real Time Theorems

    E-Print Network [OSTI]

    Ladkin, Peter B.

    (MDA) and Touch Down Zone Elevation (TDZE) which are important during the landing phase. Predicates-Time Speci#12;cations module Landing Defs DECLARATIONS constants DH ; MDA;TDZE variables alt DEFINITIONS below DH #1; = (alt MDA #1; = (alt MDA) at MDA #1; = (alt = MDA) landing ) (alt = TDZE

  17. alkaline earth cations: Topics by E-print Network

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

    alkaline earth cations First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Noncovalent interaction or...

  18. Cationic complex: 99m Tc-N,N -dimethyldiaminedithiol

    E-Print Network [OSTI]

    Suh, Young-Ger

    of Nuclear Medicine, Seoul National University College of Medicine, Seoul, South Korea b Clinical Research National University College of Medicine, Seoul, South Korea d College of Pharmacy, Seoul National 99m Tc-labeled cationic compounds have either been suggested or used for nuclear medicine imaging

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

    E-Print Network [OSTI]

    Kapur, Deepak

    designers in the design and veri#12;- cation of hardware circuits, even though there has recently of Computer Science University of New Mexico Albuquerque, NM 87131 kapur@cs.unm.edu 1 Introduction Automated reasoning is viewed as a critical technology in designing complex hardware chips, con- trollers, network

  20. 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

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

    E-Print Network [OSTI]

    Kmiec, Kevin

    2012-10-19T23:59:59.000Z

    cation and in assessing differences in the fragmentation pattern as a result of this binding site. An interesting observation from these studies reveals abundant x-type fragment ions occurring from the fragmentation of alkali-metal cationized peptides...

  2. H2O and Cation Structure and Dynamics in Expandable Clays: 2H...

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

    H2O and Cation Structure and Dynamics in Expandable Clays: 2H and 39K NMR Investigations of Hectorite. H2O and Cation Structure and Dynamics in Expandable Clays: 2H and 39K NMR...

  3. Field study of methidathion in soil amended with biosolid and a cationic surfactant under different irrigation

    E-Print Network [OSTI]

    Castillo, Antonio

    Field study of methidathion in soil amended with biosolid and a cationic surfactant under different of three years. To increase pesticide soil retention a municipal biosolid and the cationic surfactant

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

    SciTech Connect (OSTI)

    Not Available

    2012-08-01T23:59:59.000Z

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

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

    DOE Patents [OSTI]

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

    1999-01-05T23:59:59.000Z

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

  6. 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 Introduction Our aim is to explain how one can solve the \\Steam-boiler control speci#12;cation problem

  7. 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

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

    E-Print Network [OSTI]

    Manohar, Murli

    2012-07-16T23:59:59.000Z

    +/cation antiporter (CaCA) superfamily (Shigaki & Hirschi 2006). These 3 CAXs have been classified into three major categories based on phyogenetic analysis: Type I (CAXs similar to A. thaliana CAX1), II (CAXs similar to S. cerevisiae VNX1) and III... (CAXs similar to E. coli ChaA). (Shigaki et al. 2006). Several Type I and III CAXs have been well characterized across species but, to date, only two Type II CAXs, the yeast Vnx1p and zebrafish DrCax1 have been characterized. Type II CAXs have a...

  9. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisiting the TWPSuccessAlamosCharacterization of Selective Binding of Alkali Cations

  10. Ultrafast Extreme Ultraviolet Induced Isomerization of Acetylene Cations

    SciTech Connect (OSTI)

    Jiang, Y. H.; Kurka, M.; Kuehnel, K. U.; Schroeter, C. D.; Moshammer, R. [Max-Planck-Institut fuer Kernphysik, 69117 Heidelberg (Germany); Rudenko, A.; Foucar, L. [Max-Planck Advanced Study Group at CFEL, 22607 Hamburg (Germany); Herrwerth, O.; Lezius, M.; Kling, M. F. [Max-Planck-Institut fuer Quantenoptik, 85748 Garching (Germany); Tilborg, J. van; Belkacem, A. [Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Ueda, K. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 980-8577 Sendai (Japan); Duesterer, S.; Treusch, R. [DESY, 22607 Hamburg (Germany); Ullrich, J. [Max-Planck-Institut fuer Kernphysik, 69117 Heidelberg (Germany); Max-Planck Advanced Study Group at CFEL, 22607 Hamburg (Germany)

    2010-12-31T23:59:59.000Z

    Ultrafast isomerization of acetylene cations ([HC=CH]{sup +}) in the low-lying excited A{sup 2}{Sigma}{sub g}{sup +} state, populated by the absorption of extreme ultraviolet (XUV) photons (38 eV), has been observed at the Free Electron Laser in Hamburg, (FLASH). Recording coincident fragments C{sup +}+CH{sub 2}{sup +} as a function of time between XUV-pump and -probe pulses, generated by a split-mirror device, we find an isomerization time of 52{+-}15 fs in a kinetic energy release (KER) window of 5.8

  11. Ultrafast Extreme Ultraviolet Induced Isomerization of Acetylene Cations

    SciTech Connect (OSTI)

    Jiang, Y.; Rudenko, Artem; Herrwerth, O.; Foucar, L.; Kurka, M.; Kuhnel, K.; Lezius, M.; Kling, Matthias; van Tilborg, Jeroen; Belkacem, Ali; Ueda, K.; Dusterer, S.; Treusch, R.; Schroter, Claus-Dieter; Moshammer, Robbert; Ullrich, Joachim

    2011-06-17T23:59:59.000Z

    Ultrafast isomerization of acetylene cations ([HC = CH]{sup +}) in the low-lying excited A{sup 2}{Sigma}{sub g}{sup +} state, populated by the absorption of extreme ultraviolet (XUV) photons (38 eV), has been observed at the Free Electron Laser in Hamburg, (FLASH). Recording coincident fragments C{sup +} + CH{sub 2}{sup +} as a function of time between XUV-pump and -probe pulses, generated by a split-mirror device, we find an isomerization time of 52 {+-} 15 fs in a kinetic energy release (KER) window of 5.8 < KER < 8 eV, providing clear evidence for the existence of a fast, nonradiative decay channel.

  12. Lithium-cation conductivity and crystal structure of lithium diphosphate

    SciTech Connect (OSTI)

    Voronin, V.I., E-mail: voronin@imp.uran.ru [Institute of Metal Physics Urals Branch RAS, S.Kovalevskoy Street 18, 620041 Ekaterinburg (Russian Federation); Sherstobitova, E.A. [Institute of Metal Physics Urals Branch RAS, S.Kovalevskoy Street 18, 620041 Ekaterinburg (Russian Federation); Blatov, V.A., E-mail: blatov@samsu.ru [Samara Center for Theoretical Materials Science (SCTMS), Samara State University, Ac.Pavlov Street 1, 443011 Samara (Russian Federation); Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Shekhtman, G.Sh., E-mail: shekhtman@ihte.uran.ru [Institute of High Temperature Electrochemistry Urals Branch RAS, Akademicheskaya 20, 620990 Ekaterinburg (Russian Federation)

    2014-03-15T23:59:59.000Z

    The electrical conductivity of lithium diphosphate Li{sub 4}P{sub 2}O{sub 7} has been measured and jump-like increasing of ionic conductivity at 913 K has been found. The crystal structure of Li{sub 4}P{sub 2}O{sub 7} has been refined using high temperature neutron diffraction at 300–1050 K. At 913 K low temperature triclinic form of Li{sub 4}P{sub 2}O{sub 7} transforms into high temperature monoclinic one, space group P2{sub 1}/n, a=8.8261(4) Å, b=5.2028(4) Å, c=13.3119(2) Å, ?=104.372(6)°. The migration maps of Li{sup +} cations based on experimental data implemented into program package TOPOS have been explored. It was found that lithium cations in both low- and high temperature forms of Li{sub 4}P{sub 2}O{sub 7} migrate in three dimensions. Cross sections of the migrations channels extend as the temperature rises, but at the phase transition point have a sharp growth showing a strong “crystal structure – ion conductivity” correlation. -- Graphical abstract: Crystal structure of Li{sub 4}P{sub 2}O{sub 7} at 950 K. Red balls represent oxygen atoms; black lines show Li{sup +} ion migration channels in the layers perpendicular to [001] direction. Highlights: • Structure of Li{sub 4}P{sub 2}O{sub 7} has been refined using high temperature neutron diffraction. • At 913 K triclinic form of Li{sub 4}P{sub 2}O{sub 7} transforms into high temperature monoclinic one. • The migration maps of Li{sup +} implemented into program package TOPOS have been explored. • Cross sections of the migrations channels at the phase transition have a sharp growth.

  13. Directed Assembly of Cationic Gold Nanoparticles by RNA Scaffolding Alexey Y. Koyfman,

    E-Print Network [OSTI]

    Reich, Norbert O.

    -organizing functional devices can be accomplished with nucleic acids (1). Recently, we built a versatile programmable-like assemblies (Figure 1). 3.5 nm gold nanoparticles functionalized with cationic thiocholine wereDirected Assembly of Cationic Gold Nanoparticles by RNA Scaffolding Alexey Y. Koyfman, Gary Braun

  14. Composing Speci cations using Communication Helen Treharne, Steve Schneider, and Marchia Bramble

    E-Print Network [OSTI]

    Doran, Simon J.

    CSPto enable controlled interaction between B machines. This illustrates how B machines are essential abstract speci cation described in CSP. This allows safety and liveness properties to be established for combinations of communicating B machines. Keywords: B-Method, CSP, Composing Speci cations, Combining

  15. Adsorption and onset of lubrication by a double-chained cationic surfactant on silica

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Adsorption and onset of lubrication by a double-chained cationic surfactant on silica surfaces cationic surfactant has been investigated at high normal contact pressures. Comparison with adsorption to this dispersion to7 participate in lubrication. However, it is well known that adsorption of sur-8 factants

  16. GEOL 103 Writing Assignment 1. Minerals Key 1. What's a cation? Anion?

    E-Print Network [OSTI]

    Kirby, Carl S.

    GEOL 103 Writing Assignment 1. Minerals Key 1. What's a cation? Anion? A cation is a charged atom material. 5. What kinds of evidence tell us about the internal structure of minerals? How does the cleavage. Cleavage planes in minerals are planes of relatively weaker bonds that allow minerals to preferentially

  17. Advanced inverse techniques for the design of directional solidi cation processes

    E-Print Network [OSTI]

    Zabaras, Nicholas J.

    Advanced inverse techniques for the design of directional solidi cation processes Nicholas Zabaras methodologies for thermal process design can be developed using inverse problem theory. Such techniques the problem of designing the mold cooling/heating conditions such that stable solidi cation growth is obtained

  18. 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 such as methanol has attracted great experimental and theoretical interest due to its importance as an industrial

  19. The far-infrared spectra of neutral and cationic niobium clusters: Andr Fielickea

    E-Print Network [OSTI]

    The far-infrared spectra of neutral and cationic niobium clusters: Nb5 0/+ to Nb9 0/+ André and cationic niobium clusters containing five to nine Nb atoms have been obtained by multiple photon niobium clusters. Partly because of their relative ease of production and the favorable isotopic

  20. A Study of Particle Identi cation with the Super-Kamiokande Detector

    E-Print Network [OSTI]

    Tokyo, University of

    A Study of Particle Identi cation with the Super-Kamiokande Detector A Thesis Presented by Karl of the Thesis A Study of Particle Identi cation with the Super-Kamiokande Detector by Karl Florian Goebel Master been developed for the study of atmospheric neutrinos with the Super-Kamiokande de- tector. Preliminary

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

    E-Print Network [OSTI]

    Eindhoven, Technische Universiteit

    Models for solidi#12;cation and splashing in laser percussion drilling W. R. Smith Department calculations. Keywords. laser percussion drilling, mathematical modelling, weak formulations AMS(MOS) subject classi#12;cations. 35R35, 80A22 1 Introduction Laser percussion drilling is used to machine gas turbine

  2. Allene and pentatetraene cations as models for intramolecular charge transfer: Vibronic coupling Hamiltonian and conical intersections

    E-Print Network [OSTI]

    Markmann, Andreas

    and pentatetraene. Our aim is to simulate dynamically the charge transfer process when one component is artificiallyAllene and pentatetraene cations as models for intramolecular charge transfer: Vibronic coupling online 13 April 2005 We consider the vibronic coupling effects involving cationic states with degenerate

  3. Characterization of selective binding of alkali cations with carboxylate by x-ray absorption spectroscopy of liquid microjets

    E-Print Network [OSTI]

    Uejio, Janel S.

    2008-01-01T23:59:59.000Z

    of the interaction of the carboxylate with lithium; this isinteraction strengths of the monovalent cations of sodium, potassium, and lithiumlithium acetate revealing distinct shifts between the cations, indicative of preferential interactions.

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

    E-Print Network [OSTI]

    Dollard, Kathleen

    1984-01-01T23:59:59.000Z

    . 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...

  6. Potential Modulated Intercalation of Alkali Cations into Metal Hexacyanoferrate Coated Electrodes

    SciTech Connect (OSTI)

    Daniel T. Schwartz; Bekki Liu; Marlina Lukman; Kavita M. Jeerage; William A. Steen; Haixia Dai; Qiuming Yu; J. Antonio Medina

    2002-02-18T23:59:59.000Z

    Nickel hexacyanoferrate is a polynuclear inorganic ion intercalation material that loads (intercalates) and elutes (deintercalates) alkali cations from its structure when electrochemically reduced and oxidized, respectively. Nickel hexacyanoferrrate (NiHCF) is known to preferentially intercalate cesium over all other alkali cations, thus providing a basis for a separation scheme that can tackle DOE's radiocesium contamination problem. This program studied fundamental issues in alkalization intercalation and deintercalation in nickel hexacyanoferrate compounds, with the goal of (1) quantifying the ion exchange selectivity properties from cation mixtures, (2) enhancing ion exchange capacities, and (3) and understanding the electrochemically-switched ion exchange process (ESIX).

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

    E-Print Network [OSTI]

    Catalli, Krystle Carina

    2011-01-01T23:59:59.000Z

    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 ...

  8. alkaline-earth metal cations: Topics by E-print Network

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

    system is the identi cation of the des- tination process for a network performance bottle- neck that may be amenable to optimization in various forms (see, for example, 1,...

  9. 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 ...

  10. 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

  11. Geothermometry At Lassen Volcanic National Park Area (Janik ...

    Open Energy Info (EERE)

    temperatures of 223 degrees C (Muffler et al., 1982) and 229 degrees C (Thompson, 1985) reported for Growler Hot Spring water, but are within the 220-240 degrees C...

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

    Open Energy Info (EERE)

    System In Long Valley Caldera, California, From Wells, Fluid Sampling, Electrical Geophysics, And Age Determinations Of Hot-Spring Deposits Additional References Retrieved from...

  13. 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...

  14. 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....

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

    Open Energy Info (EERE)

    methods, dried, and then weighed. The extracted barium sulfate was converted to carbon dioxide by the graphite reduction method (Rafter, 1976) modified for internal...

  16. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnualPropertyd8c-a9ae-f8521cbb8489InformationFrenchtown,Jump to:Locations In TheReservoir

  17. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, search OpenEI Reference LibraryAdd toWell TestingGeothermal/Power PlantUse)Alum

  18. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, search OpenEI Reference LibraryAdd toWell TestingGeothermal/Power

  19. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, search OpenEI Reference LibraryAdd toWell2008) | Open Energy Information

  20. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, search OpenEI Reference LibraryAdd toWell2008) | OpenSilver Peak Area (DOE GTP)

  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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdfGetecGtelInterias Solar Energy JumpIrem GeothermalIselin,Isofoton SAOpen Energy

  2. Geothermometry At Akutan Fumaroles Area (Kolker, Et Al., 2010) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG Jump to:Energy

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG Jump to:EnergyOpen

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG Jump to:EnergyOpenOpen

  5. Geothermometry At Buffalo Valley Hot Springs Area (Laney, 2005) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG Jump

  6. Geothermometry At Central Nevada Seismic Zone Region (Laney, 2005) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG JumpEnergy

  7. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG JumpEnergyRocher, 2005)

  8. Geothermometry At Chena Geothermal Area (Kolker, 2008) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KG JumpEnergyRocher,

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KGEnergy

  10. Geothermometry At Fort Bliss 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KGEnergyFish Lake

  11. Geothermometry At Hot Springs Ranch Area (Szybinski, 2006) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KGEnergyFish

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KGEnergyFishKawaihae Area

  13. Geothermometry At Kilauea East Rift Geothermal Area (Thomas, 1986) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KGEnergyFishKawaihae

  14. Geothermometry At Lahaina-Kaanapali Area (Thomas, 1986) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co2010) | Open Energy

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co2010) | Open EnergyOpen

  17. Geothermometry At Long Valley Caldera Geothermal Area (Farrar, Et Al.,

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co2010) | Open EnergyOpen2003)

  18. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co2010) | Open

  19. Geothermometry At Lualualei Valley Area (Thomas, 1986) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co2010) |

  20. Geothermometry At New River 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co2010) |Information|

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen Energy1978) | Open Energy

  2. Geothermometry At The Needles 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen

  3. Geothermometry At Yellowstone Region (Fournier, 1979) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH

  4. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnualProperty EditCalifornia:PowerCER.png El CERCollier TechnologiesColoradoColoradoCourts

  5. 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 DataDepartment of Energy Your Density Isn't YourTransport(Fact Sheet),Energy PetroleumEnergyImplementingImprove MotorEvaluation of

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

    SciTech Connect (OSTI)

    Simmons, Stuart F [Colorado School of Mines; Spycher, Nicolas [Lawrence Berkeley National Laboratory; Sonnenthal, Eric [Lawrence Berkeley National Laboratory; Dobson, Patrick [Lawrence Berkeley National Laboratory

    2013-05-20T23:59:59.000Z

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

    SciTech Connect (OSTI)

    James E. Saiers

    2012-09-20T23:59:59.000Z

    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.

  8. 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)

    2014-02-14T23:59:59.000Z

    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.

  9. 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.

    2005-09-29T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

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

    2010-05-18T23:59:59.000Z

    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.

  11. Deriving Event-Based Document Transformers from Tree-Based Speci cations

    E-Print Network [OSTI]

    Deriving Event-Based Document Transformers from Tree-Based Speci#12;cations #3; Keisuke NAKANO,nisimurag@kurims.kyoto-u.ac.jp Abstract The document transformation technology is getting signi#12;cant, as the increasing amount of data are stored and exchanged in structured document formats. The conventional tree- based transformers have

  12. Neutralization of Methyl Cation via Chemical Reactions in Low-Energy Ion-Surface

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    with Fluorocarbon and Hydrocarbon Self-Assembled Monolayer Films A´ rpa´d Somogyi, Darrin L. Smith, and Vicki H-surface collisions of methyl cation at hydrocarbon and fluorocarbon self- assembled monolayer (SAM) surfaces produce with hydrocarbon and fluorocarbon SAMs occurs by concerted chemical reactions, i.e., that neutralization

  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. 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

  15. Spectroscopic signatures of proton transfer dynamics in the water dimer cation

    SciTech Connect (OSTI)

    Kamarchik, Eugene; Kostko, Oleg; Bowman, Joel M.; Ahmed, Musahid; Krylov, Anna I.

    2009-12-21T23:59:59.000Z

    Using full dimensional EOM-IP-CCSD/aug-cc-pVTZ potential energy surfaces, the photoelectron spectrum, vibrational structure, and ionization dynamics of the water dimer radical cation, (H2O)+2, were computed. We also report an experimental photoelectron spectrum which is derived from photoionization efficiency measurements and compares favorably with the theoretical spectrum. The vibrational structure is also compared with the recent experimental work of Gardenier et al. [J. Phys. Chem. A 113, 4772 (2009)] and the recent theoretical calculations by Cheng et al. [J. Phys. Chem. A 113 13779 (2009)]. A reduced dimensionality nuclear Hamiltonian was used to compute the ionization dynamics for both the ground state and first excited state of the cation. The dynamics show markedly different behavior and spectroscopic signatures depending on which state of the cation is accessed by the ionization. Ionization to the ground-state cation surface induces a hydrogen transfer which is complete within 50 femtoseconds, whereas ionization to the first excited state results in a much slower process.

  16. Synthesis and Reversible Reductive Coupling of Cationic, Dinitrogen-Derived Diazoalkane Complexes

    E-Print Network [OSTI]

    Curley, John J.

    A series of cationic diazoalkane complexes [4-RC6H4C(H)NNMo(N[t-Bu]Ar)3][AlCl4] 4-RC subscript 6 H subscript 4 C(H)NNMo(N[t-Bu]Ar) subscript 3] [AlCl subscript 4

  17. The effect of paramagnetic manganese cations on 1 H MR spectroscopy of the brain

    E-Print Network [OSTI]

    The effect of paramagnetic manganese cations on 1 H MR spectroscopy of the brain K. S. Madsen1 has investigated the effect of Mn on 1 H MR spectroscopy using an in vivo Mn-enhanced optic tract into a stereotactic device. Images and 1 H MR spectra were acquired using a Varian 4.7T animal scanner together

  18. 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)

    1999-01-01T23:59:59.000Z

    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.

  19. Correlation among electronegativity, cation polarizability, optical basicity and single bond strength of simple oxides

    SciTech Connect (OSTI)

    Dimitrov, Vesselin, E-mail: vesselin@uctm.edu [Department of Silicate Technology, University of Chemical Technology and Metallurgy, 8, Kl. Ohridski Blvd., Sofia 1756 (Bulgaria)] [Department of Silicate Technology, University of Chemical Technology and Metallurgy, 8, Kl. Ohridski Blvd., Sofia 1756 (Bulgaria); Komatsu, Takayuki, E-mail: komatsu@mst.nagaokaut.ac.jp [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan)] [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan)

    2012-12-15T23:59:59.000Z

    A suitable relationship between free-cation polarizability and electronegativity of elements in different valence states and with the most common coordination numbers has been searched on the basis of the similarity in physical nature of both quantities. In general, the cation polarizability increases with decreasing element electronegativity. A systematic periodic change in the polarizability against the electronegativity has been observed in the isoelectronic series. It has been found that generally the optical basicity increases and the single bond strength of simple oxides decreases with decreasing the electronegativity. The observed trends have been discussed on the basis of electron donation ability of the oxide ions and type of chemical bonding in simple oxides. - Graphical abstract: This figure shows the single bond strength of simple oxides as a function of element electronegativity. A remarkable correlation exists between these independently obtained quantities. High values of electronegativity correspond to high values of single bond strength and vice versa. It is obvious that the observed trend in this figure is closely related to the type of chemical bonding in corresponding oxide. Highlights: Black-Right-Pointing-Pointer A suitable relationship between free-cation polarizability and electronegativity of elements was searched. Black-Right-Pointing-Pointer The cation polarizability increases with decreasing element electronegativity. Black-Right-Pointing-Pointer The single bond strength of simple oxides decreases with decreasing the electronegativity. Black-Right-Pointing-Pointer The observed trends were discussed on the basis of type of chemical bonding in simple oxides.

  20. FLUORINATED HYDROXYTELECHELIC POLYBUTADIENE AS ADDITIVE IN CATIONIC PHOTOPOLYMERIZATION OF AN EPOXY RESIN

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    OF AN EPOXY RESIN B. Ameduri 1 , R. Bongiovanni2 , M. Sangermano2 , A. Priola2 1 Ingénierie et Architectures in original formulations to enable the UV cationic polymerization of a telechelic diepoxy cycloaliphatic resin) values showing a surface modification of the epoxy based system. Indeed, great modifications were noted

  1. Synthesis of cationic allyl carbonyl complexes of group VI metals and iron

    SciTech Connect (OSTI)

    Krivykh, V.V.; Gusev, O.V.; Petrovskii, P.V.; Rybinskaya, M.I.

    1986-12-20T23:59:59.000Z

    A method was developed for the direct, one-step synthesis of allyl carbonyl complexes of iron, molybdenum, and tungsten, and the limits of the applicability of this method were determined. The tendency to form cationic allyl complexes increases with increasing acidity of the medium and basicity of the complex and of the organic substrate.

  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.

    1999-03-02T23:59:59.000Z

    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. Close Mimicry of Lung Surfactant Protein B by ``Clicked'' Dimers of Helical, Cationic Peptoids

    E-Print Network [OSTI]

    Barron, Annelise E.

    Close Mimicry of Lung Surfactant Protein B by ``Clicked'' Dimers of Helical, Cationic Peptoids-protein mixture that lines the air-liquid (a/l) interface of vertebrate lungs and varies surface tension (c, mN m, maximizes lung Michelle T. Dohm and Shannon L. Seurynck-Servoss contributed equally to this work. Contract

  4. AMAST '96, July 1-5, 1996, Munich, Germany Formal Veri cation of Signal Programs

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    to a Power Transformer Station Controller? Michel Le Borgne, Herve Marchand, Eric Rutten IRISA / INRIA cation of the automatic circuit breaking control system of an electric power transformer station is double:protecting the components of the transformer itself, and minimizing the defect in the distribution

  5. Formally Modeling a Metal Processing Plant and its Closed Loop Speci cations

    E-Print Network [OSTI]

    Tronci, Enrico

    control systems automatic synthesis is a viable and pro table especially as far as design e ort@univaq.it, http: univaq.it tronci Abstract We present a case study on automatic synthesis of control software from formal speci cations for an indus- trial automation control system. Our aim is to compare the e

  6. A Fuzzy Neural Network Approach Based on Dirichlet Tesselations for Nearest Neighbor Classi cation of

    E-Print Network [OSTI]

    Blekas, Konstantinos

    -mail: andreas@theseas.ntua.gr Abstract A neural network classi er using fuzzy set representation of pattern concerning di cult recognition problems show that the proposed approach is very successful in applying fuzzy sets to pattern classi cation. 1 Introduction Several models have been developed during the last years

  7. Analysis of Mixture Models using Expected Posterior Priors, with Application to Classi cation

    E-Print Network [OSTI]

    West, Mike

    of Gamma Ray Bursts Jos#19;e M. P#19;erez and James O. Berger #3; Abstract Consider observations the number of components is unknown. An appli- cation is considered involving Gamma Ray Bursts, modeled is considered in section 4 in the determination of the number of classes of Gamma Ray Bursts (Meegan et al

  8. Syst. Biol. 49(4):617627, 2000 Quanti cation of Homoplasy for Nucleotide Transitions and

    E-Print Network [OSTI]

    Sorenson, Michael

    Syst. Biol. 49(4):617­627, 2000 Quanti cation of Homoplasy for Nucleotide Transitions Science Park, New Haven, CT 06511, USA; E-mail: s.stanley@genaissance.com Abstract.--Nucleotide used in molecular systematics, where homoplasy in nucleotide characters may be abundant because

  9. 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

  10. 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

  11. \\Development, implementation and veri cation of a physics-based Si/SiGe

    E-Print Network [OSTI]

    Paper I \\Development, implementation and veri#12;cation of a physics-based Si/SiGe HBT model and verification of a physics­based Si/SiGe HBT model for millimeter­wave non­ linear circuit simulations. S. Bruce thermal dependence has been developed for Si/SiGe HBTs. The model takes into account several effects

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

    SciTech Connect (OSTI)

    Hastings, Courntey J.; Fiedler, Dorothea; Bergman, Robert G.; Raymond, Kenneth N.

    2008-02-27T23:59:59.000Z

    The tetrahedral [Ga{sub 4}L{sub 6}]{sup 12-} assembly (L = N,N-bis(2,3-dihydroxybenzoyl)-1,5-diaminonaphthalene) encapsulates a variety of cations, including propargyl enammonium cations capable of undergoing the aza Cope rearrangement. For propargyl enammonium substrates that are encapsulated in the [Ga{sub 4}L{sub 6}]{sup 12-} assembly, rate accelerations of up to 184 are observed when compared to the background reaction. After rearrangement, the product iminium ion is released into solution and hydrolyzed allowing for catalytic turnover. The activation parameters for the catalyzed and uncatalyzed reaction were determined, revealing that a lowered entropy of activation is responsible for the observed rate enhancements. The catalyzed reaction exhibits saturation kinetics; the rate data obey the Michaelis-Menten model of enzyme kinetics, and competitive inhibition using a non-reactive guest has been demonstrated.

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

    E-Print Network [OSTI]

    Freitag, Albert Antonio

    1977-01-01T23:59:59.000Z

    of the requirement for the degree of MASTER OF SCIENCE December 1977 Major Subject: Nuclear Engineering INVESTIGATION OI' GAMMA INDUCED DEGRADATION OF AMBERLITE 200 CATION RESIN BY MASS SPECTROMETER AND LIQUID CHROMATOGRAPH A Thesis by ALBERT ANTONIO FREITAG... and to Dr. Robert G. Cochran, Head of the Nuclear Engineering Department, for providing the financial support necessary for completion of this work. DEDICATION I dedicate this work to my wife, Diann, for her tolerance and support. Vi TADLE OF CONTL...

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

    DOE Patents [OSTI]

    Deng, Yulin; Yan, Zegui

    2005-11-29T23:59:59.000Z

    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.

  15. Infrared spectroscopy of the acetyl cation and its protonated ketene isomer

    SciTech Connect (OSTI)

    Mosley, J. D.; Young, J. W.; Duncan, M. A. [Department of Chemistry, University of Georgia, Athens, Georgia 30602 (United States)

    2014-07-14T23:59:59.000Z

    [C{sub 2},H{sub 3},O]{sup +} ions are generated with a pulsed discharge in a supersonic expansion containing methyl acetate or acetone. These ions are mass selected and their infrared spectra are recorded via laser photodissociation and the method of argon tagging. Computational chemistry is employed to investigate structural isomers and their spectra. The acetyl cation (CH{sub 3}CO{sup +}) is the global minimum and protonated ketene (CH{sub 2}COH{sup +}) is the next lowest energy isomer (+176.2 kJ/mol). When methyl acetate is employed as the precursor, the infrared spectrum reveals that only the acetyl cation is formed. Partially resolved rotational structure reveals rotation about the C{sub 3} axis. When acetone is used as the precursor, acetyl is still the most abundant cation, but there is also a minor component of protonated ketene. Computations reveal a significant barrier to interconversion between the two isomers (+221 kJ/mol), indicating that protonated ketene must be obtained via kinetic trapping. Both isomers may be present in interstellar environments, and their implications for astrochemistry are discussed.

  16. Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly

    SciTech Connect (OSTI)

    Pluth, Michael D.; Johnson, Darren W.; Szigethy, Geza; Davis, Anna V.; Teat, Simon J.; Oliver, Allen G.; Bergman, Robert G.; Raymond, Kenneth N.

    2008-07-09T23:59:59.000Z

    The molecular structure of the self-assembled supramolecular assembly [M{sub 4}L{sub 6}]{sup 12-} has been explored with different metals (M = Ga{sup III}, Fe{sup III}, Ti{sup IV}) and different encapsulated guests (NEt{sub 4}{sup +}, BnNMe{sub 3}{sup +}, Cp{sub 2}Co{sup +}, Cp*{sub 2}Co{sup +}) by X-ray crystallography. While the identity of the metal ions at the vertices of the M{sub 4}L{sub 6} structure is found to have little effect on the assembly structure, encapsulated guests significantly distort the size and shape of the interior cavity of the assembly. Cations on the exterior of the assembly are found to interact with the assembly through either {pi}-{pi}, cation-{pi}, or CH-{pi} interactions. In some cases, the exterior guests interact with only one assembly, but cations with the ability to form multiple {pi}-{pi} interactions are able to interact with adjacent assemblies in the crystal lattice. The solvent accessible cavity of the assembly is modeled using the rolling probe method and found to range from 253-434 {angstrom}{sup 3}, depending on the encapsulated guest. Based on the volume of the guest and the volume of the cavity, the packing coefficient for each host-guest complex is found to range from 0.47-0.67.

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

    Open Energy Info (EERE)

    errors (2-3%) than for the original equation (5-29%). Authors Surendra P. Verma and Edgar Santoyo Published Journal Journal of Volcanology and Geothermal Research, 1997 DOI Not...

  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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:Ezfeedflag JumpID-fTriWildcat 1 WindtheEnergy InformationOf The 28-29Making

  19. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, searchOfRoseConcerns Jump to:Neppel WindNew Grid EnergyHarvest Jump

  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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:Ezfeedflag JumpID-fTriWildcat Place:Alvan BlanchAmite

  1. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:Ezfeedflag JumpID-fTriWildcatAntrim County, Michigan:Applewood, Colorado:Of Travale, Tuscany|

  2. 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

    2013-08-13T23:59:59.000Z

    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.

  3. Gas-phase energies of actinide oxides -- an assessment of neutral and cationic monoxides and dioxides from thorium to curium

    SciTech Connect (OSTI)

    Marcalo, Joaquim; Gibson, John K.

    2009-08-10T23:59:59.000Z

    An assessment of the gas-phase energetics of neutral and singly and doubly charged cationic actinide monoxides and dioxides of thorium, protactinium, uranium, neptunium, plutonium, americium, and curium is presented. A consistent set of metal-oxygen bond dissociation enthalpies, ionization energies, and enthalpies of formation, including new or revised values, is proposed, mainly based on recent experimental data and on correlations with the electronic energetics of the atoms or cations and with condensed-phase thermochemistry.

  4. The cation inversion and magnetization in nanopowder zinc ferrite obtained by soft mechanochemical processing

    SciTech Connect (OSTI)

    Milutinovi?, A. [Institute of Physics, University of Belgrade, Pregrevica 118, Zemun, Belgrade (Serbia); Lazarevi?, Z., E-mail: lzorica@yahoo.com [Institute of Physics, University of Belgrade, Pregrevica 118, Zemun, Belgrade (Serbia); Jovaleki?, ?. [Institute for Multidisciplinary Research, University of Belgrade, Belgrade (Serbia); Kuryliszyn-Kudelska, I. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Rom?evi?, M.; Kosti?, S.; Rom?evi?, N. [Institute of Physics, University of Belgrade, Pregrevica 118, Zemun, Belgrade (Serbia)

    2013-11-15T23:59:59.000Z

    Graphical abstract: - Highlights: • Nano powder of ZnFe{sub 2}O{sub 4} prepared by a soft mechanochemical route after 18 h milling. • Phase formation controlled by XRD, Raman spectroscopy and magnetic measurements. • Size, strain and cation inversion degree determined by Rietveld refinement. • We were able to estimate the degree of inversion at most 0.348 and 0.4. • Obtained extremely high values of saturation magnetizations at T = 4.5 K. - Abstract: Two zinc ferrite nanoparticle materials were prepared by the same method – soft mechanochemical synthesis, but starting from different powder mixtures: (1) Zn(OH){sub 2}/?-Fe{sub 2}O{sub 3} and (2) Zn(OH){sub 2}/Fe(OH){sub 3}. In both cases a single phase system was obtained after 18 h of milling. The progress of the synthesis was controlled by X-ray diffractometry (XRD), Raman spectroscopy, TEM and magnetic measurements. Analysis of the XRD patterns by Rietveld refinement allowed determination of the cation inversion degree for both obtained single phase ZnFe{sub 2}O{sub 4} samples. The sample obtained from mixture (1) has the cation inversion degree 0.3482 and the sample obtained from mixture (2) 0.400. Magnetization measurements were confirmed that the degrees of the inversion were well estimated. Comparison with published data shows that used method of synthesis gives nano powder samples with extremely high values of saturation magnetizations: sample (1) 78.3 emu g{sup ?1} and sample (2) 91.5 emu g{sup ?1} at T = 4.5 K.

  5. Cation trapping by cellular acidic compartments: Beyond the concept of lysosomotropic drugs

    SciTech Connect (OSTI)

    Marceau, François, E-mail: francois.marceau@crchul.ulaval.ca [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada)] [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada); Bawolak, Marie-Thérèse [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada)] [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada); Lodge, Robert [Centre de recherche en infectiologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada)] [Centre de recherche en infectiologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada); Bouthillier, Johanne; Gagné-Henley, Angélique [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada)] [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada); Gaudreault, René C. [Unité des Biotechnologies et de Bioingénierie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1L 3L5 (Canada)] [Unité des Biotechnologies et de Bioingénierie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1L 3L5 (Canada); Morissette, Guillaume [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada)] [Centre de recherche en rhumatologie et immunologie, Centre Hospitalier Universitaire de Québec, Québec QC, Canada G1V 4G2 (Canada)

    2012-02-15T23:59:59.000Z

    “Lysosomotropic” cationic drugs are known to concentrate in acidic cell compartments due to low retro-diffusion of the protonated molecule (ion trapping); they draw water by an osmotic mechanism, leading to a vacuolar response. Several aspects of this phenomenon were recently reexamined. (1) The proton pump vacuolar (V)-ATPase is the driving force of cationic drug uptake and ensuing vacuolization. In quantitative transport experiments, V-ATPase inhibitors, such as bafilomycin A1, greatly reduced the uptake of cationic drugs and released them in preloaded cells. (2) Pigmented or fluorescent amines are effectively present in a concentrated form in the large vacuoles. (3) Consistent with V-ATPase expression in trans-Golgi, lysosomes and endosomes, a fraction of the vacuoles is consistently labeled with trans-Golgi markers and protein secretion and endocytosis are often inhibited in vacuolar cells. (4) Macroautophagic signaling (accumulation of lipidated and membrane-bound LC3 II) and labeling of the large vacuoles by the autophagy effector LC3 were consistently observed in cells, precisely at incubation periods and amine concentrations that cause vacuolization. Vacuoles also exhibit late endosome/lysosome markers, because they may originate from such organelles or because macroautophagosomes fuse with lysosomes. Autophagosome persistence is likely due to the lack of resolution of autophagy, rather than to nutritional deprivation. (5) Increased lipophilicity decreases the threshold concentration for the vacuolar and autophagic cytopathology, because simple diffusion into cells is limiting. (6) A still unexplained mitotic arrest is consistently observed in cells loaded with amines. An extended recognition of relevant clinical situations is proposed for local or systemic drug administration.

  6. Dynamics and Scission of Rodlike Cationic Surfactant Micelles in Shear Flow

    E-Print Network [OSTI]

    Abhinanden Sambasivam; Ashish V. Sangwai; Radhakrishna Sureshkumar

    2014-12-17T23:59:59.000Z

    Flow-induced configuration dynamics and scission of rodlike micelles are studied for the first time using molecular dynamics simulations in presence of explicit solvent and salt. Predicted dependence of tumbling frequency and orientation distribution on shear rate S agrees with mesoscopic theories. However, micelle stretching increases the distance between the cationic head groups and adsorbed counter ions, which reduces electrostatic screening and increases the overall energy Phi linearly with micelle length. Micelle scission occurs when Phi exceeds a threshold value, independent of S.

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

    SciTech Connect (OSTI)

    Makrlik, Emanuel [Czech University of Life Sciences, Prague, Kamy´cká; Selucky, P. [Nuclear Research Institute, Rez, Czech Republic; Vanura, Petr [Institute of Chemical Technology, Prague, Czech Republic; Moyer, Bruce A [ORNL

    2013-01-01T23:59:59.000Z

    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+.

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

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wongchang

    2014-05-13T23:59:59.000Z

    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.

  9. 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.

    2008-01-31T23:59:59.000Z

    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.

  10. 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.

    1992-02-01T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

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

    2007-08-28T23:59:59.000Z

    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}.

  12. Single-stage separation and esterification of cation salt carboxylates using electrodeionization

    DOE Patents [OSTI]

    Lin, YuPo J.; Henry, Michael; Hestekin, Jamie; Snyder, Seth W.; St. Martin, Edward J.

    2006-11-28T23:59:59.000Z

    A method of and apparatus for continuously making an organic ester from a lower alcohol and an organic acid is disclosed. An organic acid or salt is introduced or produced in an electrode ionization (EDI) stack with a plurality of reaction chambers each formed from a porous solid ion exchange resin wafer interleaved between anion exchange membranes or an anion exchange membrane and a cation exchange membrane or an anion exchange membrane and a bipolar exchange membranes. At least some reaction chambers are esterification chambers and/or bioreactor chambers and/or chambers containing an organic acid or salt. A lower alcohol in the esterification chamber reacts with an anion to form an organic ester and water with at least some of the water splitting with the ions leaving the chamber to drive the reaction.

  13. 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)

    1989-01-01T23:59:59.000Z

    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.

  14. 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.

    1989-11-21T23:59:59.000Z

    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.

  15. Cation self-diffusion in Fe/sub 2/O/sub 3/

    SciTech Connect (OSTI)

    Hoshino, K.; Peterson, N.L.

    1984-01-01T23:59:59.000Z

    Self-diffusion of /sup 59/Fe in single crystals of Fe/sub 2/O/sub 3/ parallel to the c-axis has been measured as a function of temperature (1150 to 1340/sup 0/C) and oxygen partial pressure (2 x 10/sup -3/) less than or equal to Po/sub 2/ less than or equal to 1 atm). The oxygen partial pressure dependence of the diffusivity indicates that cation self-diffusion occurs by an interstitial-type mechanism. The simultaneous diffusion of /sup 52/Fe and /sup 59/Fe has been measured in Fe/sub 2/O/sub 3/ at 1251/sup 0/C and Po/sub 2/ = 1.91 x 10/sup -2/ atm. The small value of the isotope effect (f..delta..K = 0.067 +- 0.016) is consistent with diffusion of Fe ions by an interstitially mechanism.

  16. Self-Assembly of Hexanuclear Clusters of 4f and 5f Elements with Cation Specificity

    SciTech Connect (OSTI)

    Diwu, J.; Good, Justin J.; DiStefano, Victoria H.; Albrecht-Schmitt, Thomas E.

    2011-01-01T23:59:59.000Z

    Six hexanuclear clusters of 4f and 5f elements were synthesized by room-temperature slow concentration experiments. Cerium(IV), thorium(IV), and plutonium(IV) each form two different hexanuclear clusters, among which the cerium and plutonium clusters are isotypic, whereas the thorium clusters show more diversity. The change in ionic radii of approximately 0.08 Å between these different metal ions tunes the cavity size so that NH{sub 4}{sup +} (1.48 Å) has the right dimensions to assemble the cerium and plutonium clusters, whereas Cs{sup +} (1.69 Å) is necessary to assemble the thorium clusters. If these cations are not used in the reactions, only amorphous material is obtained.

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

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wonchang

    2010-05-18T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

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

    1982-05-05T23:59:59.000Z

    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.

  19. 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)

    2014-09-03T23:59:59.000Z

    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.

  20. Role of organic cation transporters in the renal handling of therapeutic agents and xenobiotics

    SciTech Connect (OSTI)

    Wright, Stephen H. [Department of Physiology, College of Medicine, University of Arizona, Tucson, AZ 85724 (United States)]. E-mail: shwright@u.arizona.edu

    2005-05-01T23:59:59.000Z

    Organic cations (OCs) constitute a diverse array of compounds of physiological, pharmacological, and toxicological importance. Renal secretion of these compounds, which occurs principally along the proximal portion of the nephron, plays a critical role in regulating the concentration of OCs in the plasma and in clearing the body of potentially toxic xenobiotic OCs. Transepithelial OC transport in the kidney involves separate entry and exit steps at the basolateral and luminal aspects of renal tubular cells. It is increasingly apparent that basolateral and luminal OC transport reflects the concerted activity of a suite of separate transport processes arranged in parallel in each pole of proximal tubule cells. Most of the transporters that appear to dominate renal secretion of OCs belong to a single family of transport proteins: the OCT Family. The characterization of their activity, and their localization within distinct regions of the kidney, has permitted development of models describing the molecular and cellular basis of the renal secretion of OCs.

  1. 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)

    2014-02-07T23:59:59.000Z

    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.

  2. Intense pseudotransport of a cationic drug mediated by vacuolar ATPase: Procainamide-induced autophagic cell vacuolization

    SciTech Connect (OSTI)

    Morissette, Guillaume [Centre de recherche en Rhumatologie et Immunologie, Centre Hospitalier Universitaire de Quebec, Quebec QC, G1V 4G2 (Canada); Centre de recherche en Rhumatologie et Immunologie, Centre Hospitalier Universitaire de Quebec, Quebec QC, G1V 4G2 (Canada); Lodge, Robert [Centre de recherche en Infectiologie, Centre Hospitalier Universitaire de Quebec, Quebec QC, G1V 4G2 (Canada); Marceau, Francois [Centre de recherche en Rhumatologie et Immunologie, Centre Hospitalier Universitaire de Quebec, Quebec QC, G1V 4G2 (Canada); Centre de recherche en Rhumatologie et Immunologie, Centre Hospitalier Universitaire de Quebec, Quebec QC, G1V 4G2 (Canada)], E-mail: francois.marceau@crchul.ulaval.ca

    2008-05-01T23:59:59.000Z

    Cationic drugs frequently exhibit large apparent volumes of distribution, consistent with various forms of cellular sequestration. The contributions of organelles and metabolic processes that may mimic drug transport were defined in human vascular smooth muscle cells. We hypothesized that procainamide-induced vacuolar cytopathology is driven by intense pseudotransport mediated by the vacuolar (V)-ATPase and pursued the characterization of vesicular trafficking alterations in this model. Large amounts of procainamide were taken up by intact cells (maximal in 2 h, reversible upon washout, apparent K{sub M} 4.69 mM; fluorometric determination of cell-associated drug). Procainamide uptake was extensively prevented or reversed by pharmacological inhibition of the V-ATPase with bafilomycin A1 or FR 167356, decreased at low extracellular pH and preceded vacuolar cell morphology. However, the uptake of procainamide was unaffected by mitochondrial poisons that reduced the uptake of rhodamine 6G. Large vacuoles induced by millimolar procainamide were labeled with the late endosome/lysosome markers Rab7 and CD63 and the autophagy effector LC3; their osmotic formation (but not procainamide uptake) was reduced by extracellular mannitol and parallel to LC3 II formation. Procainamide-induced vacuolization is associated with defective endocytosis of fluorophore-labeled bovine serum albumin, but not with induction of the unfolded protein response. The contents of a vacuole subset slowly ({>=} 24 h) become positive for Nile red staining (phospholipidosis-like response). V-ATPase-driven ion trapping is a form of intense cation pseudotransport that concerns the uncharged form of the drugs, and is associated with a vacuolar, autophagic and evolutive cytopathology and profound effects on vesicular trafficking.

  3. 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

  4. 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 with knowledge that clay particles possessing an electronegative surface charge and resulting cation exchange capacity (CEC) interact with a wide range of solutes which, in the absence of clays, have been shown

  5. Environ. Sci. Technol. 1993, 27, 1625-1631 Sorptlon and Desorption of Quaternary Amine Cations on Clays

    E-Print Network [OSTI]

    Sparks, Donald L.

    on Clays 2. Zhong Zhang,'it Donald L. Sparks,? and Noel C. Scrivner* Department of Plant and Soil Sciences. Therefore, it appears that there is good promise in using quaternary amine-modified clays as effective The sorption of organic cations on soils and clays was perhaps first observed by Lloyd in 1916 when he found

  6. New cationic lipids for gene transfer with high efficiency and low toxicity: T-shape cholesterol ester derivatives

    E-Print Network [OSTI]

    Park, Jong-Sang

    ester derivatives Yan Lee,a Heebeom Koo,a Yong-beom Lim,b Youngeun Lee,a Heejung Moa and Jong Sang Parka of the relationship between the molecular structures and the transfection efficiency. Lee et al. synthesized many to overcome the other obstacle like cytotoxicity of cationic lipids. Introduction of biodegradable bonds

  7. 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

  8. Heating-Induced Micelle to Vesicle Transition in the Cationic-Anionic Surfactant Systems: Comprehensive Study and Understanding

    E-Print Network [OSTI]

    Huang, Jianbin

    Heating-Induced Micelle to Vesicle Transition in the Cationic-Anionic Surfactant Systems, 2004; In Final Form: January 6, 2005 Heating-induced micelle to vesicle transition (MVT), which has classes: Class A and B. Heating-induced MVT was observed in Class A at certain total surfactant

  9. 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

  10. UNUSUAL STABILITY OF POLYCYCLIC AROMATIC HYDROCARBON RADICAL CATIONS IN AMORPHOUS WATER ICES UP TO 120 K: ASTRONOMICAL IMPLICATIONS

    E-Print Network [OSTI]

    during warm-up above 120 K. Earlier we found that PAH ionization is quantitative in water ice and PAH studies of PAHs in water ice. These optical studies were undertaken to overcome the limitations of severeUNUSUAL STABILITY OF POLYCYCLIC AROMATIC HYDROCARBON RADICAL CATIONS IN AMORPHOUS WATER ICES UP

  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.

    2011-08-01T23:59:59.000Z

    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. Element-and site-specific oxidation state and cation distribution in manganese ferrite films by diffraction anomalous fine structure

    E-Print Network [OSTI]

    Haskel, Daniel

    Element- and site-specific oxidation state and cation distribution in manganese ferrite films Received 2 April 2008; accepted 9 July 2008; published online 8 August 2008 Epitaxial manganese ferrite.1063/1.2969406 Spinel ferrites represent an important class of materials that provide high permeability, moderate

  13. 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.

    2011-08-01T23:59:59.000Z

    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

  14. Changes in Sea-Level associated with Modi cations of the Mass Balance of the Greenland and Antarctic

    E-Print Network [OSTI]

    Changes in Sea-Level associated with Modi cations of the Mass Balance of the Greenland and Antarctic Ice Sheets over the 21st Century V eronique Bugnion Abstract Changes in runo from Greenland for estimating melting and runo . All models are solved on 20 and 40 km grids respectively for Greenland

  15. Linear DNA Low Efficiency Transfection by Liposome Can Be Improved by the Use of Cationic Lipid as Charge Neutralizer

    E-Print Network [OSTI]

    Barbosa, Marcia C. B.

    Linear DNA Low Efficiency Transfection by Liposome Can Be Improved by the Use of Cationic Lipid the efficiency of a liposome-mediated transfection by circular and linear DNA. The results obtained showed a low rate of transfection by linear DNA:liposome complexes. To explore whether the structure

  16. [4] J.W. Lamont, R. H. Iveson, "Array Processor Appli-cations in Power System Planning and Operation",

    E-Print Network [OSTI]

    Catholic University of Chile (Universidad Católica de Chile)

    engaged in research on power system stability and control. His primary interest is in the area of research and developmental work related to various stabilizing techniques of a large interconnected power system. Dr. Abe[4] J.W. Lamont, R. H. Iveson, "Array Processor Appli- cations in Power System Planning

  17. Nuevos materiales basados en cationes alcalinotrreos, reutilizables y de muy bajo coste con un elevado poder cataltico y de sorcin

    E-Print Network [OSTI]

    . Estos materiales, que respetan el medio ambiente, de bajo costo, fácil fabricación y estabilidad térmica ambiente. La alta acidez Lewis de los cationes alcalinotérreos proporciona a los catalizadores sitios muy actualmente a nivel industrial (compuestos de metales preciosos) · son reutilizables · tienen un menor impacto

  18. Drug addiction encompasses a relapsing cycle of intoxi-cation, bingeing, withdrawal and craving that results in

    E-Print Network [OSTI]

    Homes, Christopher C.

    Drug addiction encompasses a relapsing cycle of intoxi- cation, bingeing, withdrawal and craving that results in excessive drug use despite adverse consequences (FIG. 1). Drugs that are abused by humans) -- a syndrome that is char- acterized by attributing excessive salience to the drug and drug-related cues

  19. 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

  20. Energy/structure database of all proteinogenic amino acids and dipeptides without and with divalent cations

    E-Print Network [OSTI]

    Ropo, Matti; Blum, Volker

    2015-01-01T23:59:59.000Z

    We present a structural data set of the 20 proteinogenic amino acids and their amino-methylated and acetylated (capped) dipeptides. Different protonation states of the backbone (uncharged and zwitterionic) were considered for the amino acids as well as varied side chain protonation states. Furthermore, we studied amino acids and dipeptides in complex with divalent cations (Ca2+, Ba2+, Sr2+, Cd2+, Pb2+, and Hg2+). The database covers the conformational hierarchies of 280 systems in a wide relative energy range of up to 4 eV (390 kJ/mol), summing up to an overall of 45,892 stationary points on the respective potential-energy surfaces. All systems were calculated on equal first-principles footing, applying density-functional theory in the generalized gradient approximation corrected for long-range van der Waals interactions. We show good agreement to available experimental data for gas-phase ion affinities. Our curated data can be utilized, for example, for a wide comparison across chemical space of the building...

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

    SciTech Connect (OSTI)

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

    2013-10-01T23:59:59.000Z

    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.

  2. 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

    2007-05-07T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Makrlik, Emanuel [Czech University of Life Sciences, Prague, Kamy´cká; Toman, Petr [Institute of Macromolecular Chemistry, Prague; Vanura, Petr [Institute of Chemical Technology, Prague, Czech Republic; Moyer, Bruce A [ORNL

    2013-01-01T23:59:59.000Z

    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.

  4. 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.

    2008-12-08T23:59:59.000Z

    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.

  5. Novel localization of OCTN1, an organic cation/carnitine transporter, to mammalian mitochondria

    SciTech Connect (OSTI)

    Lamhonwah, Anne-Marie [Division of Neurology, Department of Pediatrics, Hospital for Sick Children and Department of Laboratory Medicine and Pathobiology, University of Toronto, Toronto, Ont., M5G 1X8 (Canada); Tein, Ingrid [Division of Neurology, Department of Pediatrics, Hospital for Sick Children and Department of Laboratory Medicine and Pathobiology, University of Toronto, Toronto, Ont., M5G 1X8 (Canada)]. E-mail: ingrid.tein@sickkids.ca

    2006-07-14T23:59:59.000Z

    Carnitine is a zwitterion essential for the {beta}-oxidation of fatty acids. We report novel localization of the organic cation/carnitine transporter, OCTN1, to mitochondria. We made GFP- and RFP-human OCTN1 cDNA constructs and showed expression of hOCTN1 in several transfected mammalian cell lines. Immunostaining of GFP-hOCTN1 transfected cells with different intracellular markers and confocal fluorescent microscopy demonstrated mitochondrial expression of OCTN1. There was striking co-localization of an RFP-hOCTN1 fusion protein and a mitochondrial-GFP marker construct in transfected MEF-3T3 and no co-localization of GFP-hOCTN1 in transfected human skin fibroblasts with other intracellular markers. L-[{sup 3}H]Carnitine uptake in freshly isolated mitochondria of GFP-hOCTN1 transfected HepG2 demonstrated a K {sub m} of 422 {mu}M and Western blot with an anti-GFP antibody identified the expected GFP-hOCTN1 fusion protein (90 kDa). We showed endogenous expression of native OCTN1 in HepG2 mitochondria with anti-GST-hOCTN1 antibody. Further, we definitively confirmed intact L-[{sup 3}H]carnitine uptake (K {sub m} 1324 {mu}M), solely attributable to OCTN1, in isolated mitochondria of mutant human skin fibroblasts having <1% of carnitine acylcarnitine translocase activity (alternate mitochondrial carnitine transporter). This mitochondrial localization was confirmed by TEM of murine heart incubated with highly specific rabbit anti-GST-hOCTN1 antibody and immunogold labeled goat anti-rabbit antibody. This suggests an important yet different role for OCTN1 from other OCTN family members in intracellular carnitine homeostasis.

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

    SciTech Connect (OSTI)

    Zhao, Jin-Jing [College of Chemistry and State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun, Jilin 130023 (China); Zhang, Xiao [State Key Lab of Urban Water Resource and Environment (SKLUWRE) and Academy of Fundamental and Interdisciplinary Science, Harbin Institute of Technology, Harbin, Heilongjiang 150080 (China); Wang, Yan-Ning; Jia, Hong-Li [College of Chemistry and State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun, Jilin 130023 (China); Yu, Jie-Hui, E-mail: jhyu@jlu.edu.cn [College of Chemistry and State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun, Jilin 130023 (China); Xu, Ji-Qing, E-mail: xjq@mail.jlu.edu.cn [College of Chemistry and State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun, Jilin 130023 (China)

    2013-11-15T23:59:59.000Z

    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. 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

    2003-04-28T23:59:59.000Z

    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).

  8. Combined Quantum Chemical/Raman Spectroscopic Analyses of Li+ Cation Solvation: Cyclic Carbonate Solvents - Ethylene Carbonate and Propylene Earbonate

    SciTech Connect (OSTI)

    Allen, Joshua L.; Borodin, Oleg; Seo, D. M.; Henderson, Wesley A.

    2014-12-01T23:59:59.000Z

    Combined computational/Raman spectroscopic analyses of ethylene carbonate (EC) and propylene carbonate (PC) solvation interactions with lithium salts are reported. It is proposed that previously reported Raman analyses of (EC)n-LiX mixtures have utilized faulty assumptions. In the present studies, density functional theory (DFT) calculations have provided corrections in terms of both the scaling factors for the solvent's Raman band intensity variations and information about band overlap. By accounting for these factors, the solvation numbers obtained from two different EC solvent bands are in excellent agreement with one another. The same analysis for PC, however, was found to be quite challenging. Commercially available PC is a racemic mixture of (S)- and (R)-PC isomers. Based upon the quantum chemistry calculations, each of these solvent isomers may exist as multiple conformers due to a low energy barrier for ring inversion, making deconvolution of the Raman bands daunting and inherently prone to significant error. Thus, Raman spectroscopy is able to accurately determine the extent of the EC...Li+ cation solvation interactions using the provided methodology, but a similar analysis of PC...Li+ cation solvation results in a significant underestimation of the actual solvation numbers.

  9. 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

    2015-01-01T23:59:59.000Z

    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.

  10. Deep Geothermal Reservoir Temperatures in the Eastern Snake River Plain, Idaho using Multicomponent Geothermometry

    SciTech Connect (OSTI)

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

    2014-02-01T23:59:59.000Z

    The U.S. Geological survey has estimated that there are up to 4,900 MWe of undiscovered geothermal resources and 92,000 MWe of enhanced geothermal potential within the state of Idaho. Of particular interest are the resources of the Eastern Snake River Plain (ESRP) which was formed by volcanic activity associated with the relative movement of the Yellowstone Hot Spot across the state of Idaho. This region is characterized by a high geothermal gradient and thermal springs occurring along the margins of the ESRP. Masking much of the deep thermal potential of the ESRP is a regionally extensive and productive cold-water aquifer. We have undertaken a study to infer the temperature of the geothermal system hidden beneath the cold-water aquifer of the ESRP. Our approach is to estimate reservoir temperatures from measured water compositions using an inverse modeling technique (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. In the initial stages of this study, we apply the RTEst model to water compositions measured from a limited number of wells and thermal springs to estimate the regionally extensive geothermal system in the ESRP.

  11. Problems of trace element ratios and geothermometry in a gravel geothermal-aquifer system

    SciTech Connect (OSTI)

    Sonderegger, J.L.; Donovan, J.J.; Ruscetta, C.A.; Foley, D. (eds.)

    1981-05-01T23:59:59.000Z

    A Tertiary-age, block-faulted basin in which a Pleistocene gravel bed acts as a confined aquifer and permits the lateral dispersion of the geothermal fluids is studied. Basic data on geology and trace element holes presented previously are reproduced along with fluoride data. Evaluation of the phenomena in this system was attempted using a dissolved silica-enthalpy graph. A chalcedomy curve is also plotted. An enthalpy versus chloride plot suggests that either conductive cooling occurs before mixing or that higher chloride content background waters are available for mixing. (MHR)

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

    Open Energy Info (EERE)

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

    Open Energy Info (EERE)

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

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    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, search OpenEI Reference LibraryAdd toWell2008) | Open Energy Information Neal

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

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

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    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, search OpenEI Reference LibraryAdd toWell2008) | Open EnergyInformation Et

  17. Geothermometry At Salt Wells Area (Coolbaugh, Et Al., 2006) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, search OpenEI Reference LibraryAdd toWell2008) | Open EnergyInformation

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

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

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

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  1. Geothermometry At Fish Lake Valley Area (DOE GTP) | Open Energy Information

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    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH und Co KGEnergyFish Lake Valley

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

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

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

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

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

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

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

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

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

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen Energy Information

  11. Geothermometry At Reese River Area (Henkle & Ronne, 2008) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen Energy

  12. Geothermometry At Salt Wells Area (Henkle, Et Al., 2005) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen Energy1978) | Open

  13. Geothermometry At Socorro Mountain Area (Owens, Et Al., 2005) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen Energy1978) |

  14. Geothermometry At Teels Marsh Area (Coolbaugh, Et Al., 2006) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen Energy1978)

  15. Geothermometry At Teels Marsh Area (Shevenell, Et Al., 2008) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpen Energy1978)Information

  16. Geothermometry At U.S. Midwest Region (Vugrinovich, 1987) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpenInformation Region

  17. Geothermometry At Upper Hot Creek Ranch Area (Benoit & Blackwell, 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpenInformation RegionOpen

  18. Geothermometry At Walker-Lane Transitional Zone Region (Laney, 2005) | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpenInformation

  19. Geothermometry At Walker-Lane Transitional 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump1946865°,Park,2005)EnergyAmatitlanGmbH undOpenInformationRocher,

  20. Effects of In{sub 3+} substitution on structural properties, cation distribution and Mössbauer spectra of CoFe{sub 2}O{sub 4} ferrite

    SciTech Connect (OSTI)

    Kumar, Ravi, E-mail: ranade65@gmail.com [Centre for Material Science and Engineering, National Institute of Technology Hamirpur (H.P.)-177005 (India); Pandit, Rabia; Sharma, K. K.; Kaur, Pawanpreet [Department of Physics, National Institute of Technology Hamirpur (H.P.)-177005 (India)

    2014-04-24T23:59:59.000Z

    The use of non-destructive, high resolution technique namely Mössbauer spectroscopy is discussed in detail for the investigation of structural and magnetic properties of Fe based indium substituted cobalt ferrites. The polycrystalline samples of CoFe{sub 2?x}In{sub x}O{sub 4} (x = 0.2, 0.6) were prepared by double sintering solid state reaction method. To ensure a single phase formation of the as prepared samples the X-ray diffraction (XRD) data of the powdered samples was Rietveld refined using Fd3m space group. An excellent agreement is obtained between the integrated intensity ratios of 57 Fe spectra at A- and B-sites and those calculated on the basis of cation distribution the cation distribution obtained data analysis. The results of Mössbauer spectra and cation distribution are also correlated well with magnetization versus applied field (M-H) study.

  1. Crystal Structure of an Integron Gene Cassette-Associated Protein from Vibrio cholerae Identifies a Cationic Drug-Binding Module

    SciTech Connect (OSTI)

    Deshpande, Chandrika N.; Harrop, Stephen J.; Boucher, Yan; Hassan, Karl A.; Di Leo, Rosa; Xu, Xiaohui; Cui, Hong; Savchenko, Alexei; Chang, Changsoo; Labbate, Maurizio; Paulsen, Ian T.; Stokes, H.W.; Curmi, Paul M.G.; Mabbutt, Bridget C. (MIT); (UT-Australia); (Macquarie); (Toronto); (New South)

    2012-02-15T23:59:59.000Z

    The direct isolation of integron gene cassettes from cultivated and environmental microbial sources allows an assessment of the impact of the integron/gene cassette system on the emergence of new phenotypes, such as drug resistance or virulence. A structural approach is being exploited to investigate the modularity and function of novel integron gene cassettes. We report the 1.8 {angstrom} crystal structure of Cass2, an integron-associated protein derived from an environmental V. cholerae. The structure defines a monomeric beta-barrel protein with a fold related to the effector-binding portion of AraC/XylS transcription activators. The closest homologs of Cass2 are multi-drug binding proteins, such as BmrR. Consistent with this, a binding pocket made up of hydrophobic residues and a single glutamate side chain is evident in Cass2, occupied in the crystal form by polyethylene glycol. Fluorescence assays demonstrate that Cass2 is capable of binding cationic drug compounds with submicromolar affinity. The Cass2 module possesses a protein interaction surface proximal to its drug-binding cavity with features homologous to those seen in multi-domain transcriptional regulators. Genetic analysis identifies Cass2 to be representative of a larger family of independent effector-binding proteins associated with lateral gene transfer within Vibrio and closely-related species. We propose that the Cass2 family not only has capacity to form functional transcription regulator complexes, but represents possible evolutionary precursors to multi-domain regulators associated with cationic drug compounds.

  2. Controlled Spacing of Cationic Gold Nanoparticles by Nanocrown RNA Alexey Y. Koyfman,, Gary Braun, Sergei Magonov, Arkadiusz Chworos, Norbert O. Reich,, and

    E-Print Network [OSTI]

    Reich, Norbert O.

    for the genera- tion of composite, self-organizing functional devices can be accomplished with nucleic acids dueControlled Spacing of Cationic Gold Nanoparticles by Nanocrown RNA Alexey Y. Koyfman,§, Gary Braun. DNA has been extensively used to control the positioning of proteins1 and nanoparticles2,3 (NP

  3. There are significant efforts underway to develop practical resources for quantum communi-cations and information processing in optical fiber networks. Entanglement, which refers to the

    E-Print Network [OSTI]

    Van Stryland, Eric

    - cations and information processing in optical fiber networks. Entanglement, which refers be entangled. Coupling such down-converted photons into optical fibers without degrading entanglement, however-division multiplexed optical fiber systems. Some recent results on utilizing such entanglement for quantum

  4. Cation Intermixing And Electronic Deviations At The Insulating LaCrO3/SrTiO3(001) Interface

    SciTech Connect (OSTI)

    Colby, Robert J.; Qiao, Liang; Zhang, Hongliang; Shutthanandan, V.; Ciston, Jim; Kabius, Bernd C.; Chambers, Scott A.

    2013-10-29T23:59:59.000Z

    The interface between polar perovskite LaCrO3 (LCO) and non-polar SrTiO3(001) (STO), grown by molecular beam epitaxy, is examined using a combination of electron microscopy, spectroscopy, and Rutherford backscattering spectrometry. The LCO/STO(001) interface is insulating, a potential counter example for the claim that polar/nonpolar perovskite interfaces should be conductive by virtue of an electronic reconstruction to alleviate the polar discontinuity. The A-site cations of these ABO3 perovskites are found to diffuse across the interface to a greater extent than the B-site cations, based on high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy dispersive x-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS). The B-site cation valences are shown to be partially reduced near the interface by analysis of EELS near-edge structures. The location and direction of these electronic modifications do not intuitively compensate the charge imbalance imposed by uneven cation inter-diffusion, and yet both the film and interface are insulating. These results highlight the importance of both the physical and electronic structure of such complex interfaces in determining their characteristics. Furthermore, the extent of inter-diffusion is shown to increase with increasing LCO film thickness, suggesting a potential mechanism behind the critical thickness for interfacial conductivity in other polar/non-polar oxide systems, and a fundamental limitation on the formation of abrupt interfaces in LCO/STO(001).

  5. A Two-Step Fuzzy-Bayesian Classi cation for High Dimensional Data Mostafa G.-H. Mostafa, Timothy C. P erkins, and Aly A. F arag

    E-Print Network [OSTI]

    Farag, Aly A.

    algorithms are presente don simulated and real remote sensing multispectral data. The results show- spectral imaging in remote sensing and magnetic reso- nance imaging (MRI) in medical imaging are examples of suc h modalities.Classi cation of such data is an in- tensive research area in both remote sensing

  6. Veri cation of Embedded Reactive Fi o Systems Frdric Herbreteau 1,2 , Franck Cassez 1 , Alain Finkel 3 , Olivier Roux 1

    E-Print Network [OSTI]

    Sutre, Grégoire

    in the Electre [8] reactive language. A major #12; 2 F. Herbreteau and al. feature of this languageVeri#28;cation of Embedded Reactive Fi#27;o Systems Frédéric Herbreteau 1,2 , Franck Cassez 1 ERL, 253 Cory Hall, University of California, Berkeley, CA 94720, USA Abstract. Reactive Fi#27;o

  7. JOURNAL DE PHYSIQUE Colloque C1, suppliment au no 4, Tome 38, Avril 1977, page C1-207 KINETICS OF THE CATION REDISTRIBUTION IN MAGNESIUM FERRITES

    E-Print Network [OSTI]

    Boyer, Edmond

    OF THE CATION REDISTRIBUTION IN MAGNESIUM FERRITES V. A. M. BRABERS and J. KLERK Department of Physics distribution des ions Mg2+et Fe3+sur les sites tetrakdriques et octakdriquesde ferrites de magnesium est Ctudi octahedral and tetrahedral sites in Mg ferrites has been studiedwith dilatometricmeasurements

  8. 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

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

    E-Print Network [OSTI]

    Cao, Guozhong

    as 15% was achieved for perovskite-sensitized solar cells.7 As a derivative of dye-sensitized solarInfluence 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

  10. 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, with neutral acetylene C2H2, 2. Experiments conducted in the gas phase and under low pressure in an FT-ICR mass spectrometer show that the reaction leads to C6H7 + ions. Complete analysis of the experimental data reveals

  11. 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

  12. 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

    2012-11-29T23:59:59.000Z

    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.

  13. Location and valence state of strontium cations on the framework of a carbon dioxide selective porous silicoaluminophosphate

    SciTech Connect (OSTI)

    Zhang, Li; Rivera-Ramos, Milton E.; Hernández-Maldonado, Arturo J. (Puerto Rico) [Puerto Rico

    2014-05-28T23:59:59.000Z

    A Sr{sup 2+}-SAPO-34 material that displays superior CO2 adsorption selectivity and capacity was characterized via XPS and UV-vis spectroscopy to elucidate the valence state of strontium cations and framework silicon environment. Most importantly, the location of the strontium has been estimated from a Rietveld refinement analysis of synchrotron diffraction data. The XPS analysis indicated that the apparent valence state of the strontium is less than 2, an indication of its interaction with the large anionic framework. Furthermore, UV-vis tests pointed to changes in the silicon environment, plausibly related to this valence state or framework faulting. For the refinement, the analysis found that strontium occupied two unique sites: a site Sr1 slightly displaced from six-membered rings and a site Sr2 positioned at the top or bottom of the eight-membered rings. The latter position favors the interaction of the alkaline earth metal with CO{sub 2}, probably resulting in an enhanced electric field-quadrupole moment interaction.

  14. Competing interactions in two dimensional Coulomb systems: Surface charge heterogeneities in co-assembled cationic-anionic incompatible mixtures

    E-Print Network [OSTI]

    Sharon M. Loverde; Yury S. Velichko; Monica Olvera de la Cruz

    2006-02-14T23:59:59.000Z

    A binary mixture of oppositely charged components confined to a plane such as cationic and anionic lipid bilayers may exhibit local segregation. The relative strength of the net short range interactions, which favors macroscopic segregation, and the long range electrostatic interactions, which favors mixing, determines the length scale of the finite size or microphase segregation. The free energy of the system can be examined analytically in two separate regimes, when considering small density fluctuations at high temperatures, and when considering the periodic ordering of the system at low temperatures (F. J. Solis and M. Olvera de la Cruz, J. Chem. Phys. 122, 054905 (2000)). A simple Molecular Dynamics simulation of oppositely charged monomers, interacting with a short range Lennard Jones potential and confined to a two dimensional plane, is examined at different strengths of short and long range interactions. The system exhibits well-defined domains that can be characterized by their periodic length-scale as well as the orientational ordering of their interfaces. By adding salt, the ordering of the domains disappears and the mixture macroscopically phase segregates in agreement with analytical predictions.

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

    2014-09-28T23:59:59.000Z

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

  16. Cation distribution in Ni{sub 1?x}Zn{sub x}Fe{sub 2}O{sub 4} using X-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Yadav, A. K., E-mail: akyadav@barc.gov.in; Jha, S. N.; Bhattacharyya, D.; Sahoo, N. K. [Atomic and Molecular Physics Division, Bhabha Atomic Research Centre, Mumbai - 400094 (India); Jadhav, J.; Biswas, S. [Department of Physics, The LNM Institute of Information Technology, Jaipur-302031 (India)

    2014-04-24T23:59:59.000Z

    Spinel ferrite samples of Ni{sub 1?x}Zn{sub x}Fe{sub 2}O{sub 4} (for x=0.2, 0.4, 0.5, 0.6 and 0.8) nanoparticles prepared by a novel chemical synthesis method have been characterized by X-ray Absorption Spectroscopy (XAS) technique to investigate the distribution of cations in the unit cell. XANES region clearly shows that as Ni concentration increases, the pre-edge feature, which is a characteristic of tetrahedral coordination of Fe, is enhanced. A quantitative determination of the relative occupancy of iron cation in the octahedral and tetrahedral sites of the spinel structure was obtained from EXAFS data analysis. It has been found that as atomic fraction of Ni is increased from 0.2 to 0.8, Fe occupancy at tetrahedral to octahedral sites is increased from 13:87 and to 39:61.

  17. (a) k = 2 (b) k = 5 Figure 6.2: Two classi cations of Mars by the k-means algorithm

    E-Print Network [OSTI]

    Wagstaff, Kiri L.

    step. 6.3.2 K-means Results To provide a basis for later comparisons, we ran the regular k-means96 (a) k = 2 (b) k = 5 Figure 6.2: Two classi#12;cations of Mars by the k-means algorithm Finally with k-means, we will #12;rst justify our choice of k-means for this problem. We do not claim that k-means

  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)

    2008-07-01T23:59:59.000Z

    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 [Czech University of Life Sciences, Prague, Kamy´cká] [Czech University of Life Sciences, Prague, Kamy´cká; Toman, Petr [Institute of Macromolecular Chemistry, Prague] [Institute of Macromolecular Chemistry, Prague; Vanura, Petr [Institute of Chemical Technology, Prague, Czech Republic] [Institute of Chemical Technology, Prague, Czech Republic; Moyer, Bruce A [ORNL] [ORNL

    2013-01-01T23:59:59.000Z

    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. A new, definitive analysis of a very old spectrum: The highly perturbed A [superscript 2]?[subscript u]–X [superscript]2?[subscript g] band system of the chlorine cation (Cl[+ over 2])

    E-Print Network [OSTI]

    Gharaibeh, Mohammed A.

    The laser-induced fluorescencespectrum of jet-cooled chlorine cation has been recorded in the 500?312 nm region with high sensitivity and rigorous vibrational and spin-orbit cooling. More than 80 bands of the highly ...

  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

    2014-01-01T23:59:59.000Z

    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. {sup 1}H and {sup 23}Na MAS NMR spectroscopy of cationic species in CO{sub 2} selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    SciTech Connect (OSTI)

    Arevalo-Hidalgo, Ana G. [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico); Dugar, Sneha; Fu, Riqiang [National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL 32310 (United States); Hernandez-Maldonado, Arturo J., E-mail: arturoj.hernandez@upr.edu [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico)

    2012-07-15T23:59:59.000Z

    The location of extraframework cations in Sr{sup 2+} and Ba{sup 2+} ion-exchanged SAPO-34 was estimated by means of {sup 1}H and {sup 23}Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO{sub 2} adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO{sub 2} adsorption performance. Highlights: Black-Right-Pointing-Pointer Location of extraframework Sr{sup 2+} or Ba{sup 2+} cations was estimated by means of {sup 1}H and {sup 23}Na MAS NMR. Black-Right-Pointing-Pointer Level of Sr{sup 2+} or Ba{sup 2+} ion exchange was limited by the presence of protons and sodium cations. Black-Right-Pointing-Pointer Presence of ammonium cations in the supercages facilitated the exchange. Black-Right-Pointing-Pointer Sr{sup 2+} and Ba{sup 2+} ion exchanged SAPOs are outstanding CO{sub 2} adsorbents.

  3. EMSL - cation migration

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

    at http:www.emsl.pnl.govemslweb Nepheline crystallization in boron-rich alumino-silicate glasses as investigated by multi-nuclear NMR, Raman, & Mö http:...

  4. cation migration | EMSL

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

    Mössbauer Spectroscopic Study. Nepheline crystallization in boron-rich alumino-silicate glasses as investigated by multi-nuclear NMR, Raman, & Mö Abstract: A...

  5. The cyclopropyl cation

    E-Print Network [OSTI]

    Hampton, Loyd Ernest

    1969-01-01T23:59:59.000Z

    ether (21) and a 7. 3i~ yield of cyclopropyl iodide (22) after performing the d. ecomposition of ~1 in ethanol, sodium formate, and sod. ium iodide. C2H50H ~ 2"S EEcQ~N Esz V 21 22 From the acetolysis of 1-ohlorobicyclopropyl (~2 ) in acetic aoid..., they did. not attempt the decomposition of this compound to the cyclopropane. The attempted synthesis of 42 was conducted in ether solution. The reaction was terminated. by extracting the mixture with 0. 1$ (by volume) hydrochloric acid. The nu- clear...

  6. Poly(pyridine)ruthenium(II)-photoinduced redox reactions of bipyridinium cations, poly(pyridine)rhodium complexes, and osmium ammines

    SciTech Connect (OSTI)

    Creutz, C.; Keller, A.D.; Sutin, N.; Zipp, A.P.

    1982-06-30T23:59:59.000Z

    The quenching of *RuL/sub 3//sup 2 +/ (L is a 2,2'-bipyridine or 1,10-phenanthroline derivative) emissions by three classes of oxidants Q has been examined. The results are discussed in terms of the Marcus electron-transfer model recast in a preequilibrium formalism. Substituted bipyridinium cations (methyl viologen and related compounds) undergo thermodynamically favorable reduction with a driving force ranging from 0.1 to 0.7 eV and rate constants in the range (0.4-2.0) x 10/sup 9/ M/sup -1/s/sup -1/, consistent with a diffusion rate constant of 2.0 x 10/sup 9/ M/sup -1/s/sup -1/ and an exchange rate constant of approx.10/sup 6/ M/sup -1/s/sup -1/ for the Q-Q couples. The yields of the separated redox products RuL/sub 3//sup 3 +/ and Q/sup -/ (typically 0.1 mol einstein/sup -1/ per quenching act) require K/sub 30/, the ''intramolecular'' back-reaction rate constant (to re-form ground-state RuL/sub 3//sup 2 +/ and Q), to be (2-4) x 10/sup 10/ s/sup -1/. Since K/sub 30/ increases weakly with driving force in this series, there is no evidence for inverted behavior despite the fact the ..delta..G/sup 0//sub 30/ is approx.-2 eV. With Q = Rh(4,4'-(CH/sub 3/)/sub 2/bpy)/sub 3//sup 3 +/, the quenching rate constants, k/sub q/ = (0.001-1.0) x 10/sup 9/ M/sup -1/s/sup -1/, exhibit a great sensitivity to the reducing power of *RuL/sub 3//sup 2 +/ and have been fitted to k/sub 11/ approx. = 2 x 10/sup 9/ M/sup -1/s/sup -1/ and E/sup 0//sub Q,Q/sup -// = -0.97 V for the RhL/sub 3//sup 3 +/-RhL/sub 3//sup 2 +/ couple. This E/sup 0/ value is strikingly similar to that (-0.9 V vs. aqueous SCE) obtained via cyclic voltammetry in acetonitrile. The cyclic voltammetry of the RhL/sub 3//sup 3 +/ complexes in water has been reexamined, and it is concluded that the irreversibility observed is due to ligand loss from rhodium(I).

  7. 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 [ORNL; Bonnesen, Peter V [ORNL; Moyer, Bruce A [ORNL

    2012-01-01T23:59:59.000Z

    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.

  8. Coadsorption of sulfate/bisulfate anions with Hg cations during Hg underpotential deposition on Au(111): An in situ x-ray diffraction study

    SciTech Connect (OSTI)

    Li, J.; Abruna, H.D. [Cornell Univ., Ithaca, NY (United States)] [Cornell Univ., Ithaca, NY (United States)

    1997-01-09T23:59:59.000Z

    The first stage of mercury underpotential deposition on Au(111) electrodes in 0.10 M H{sub 2}SO{sub 4} containing 1.0 mM Hg{sup 2+} has been studied by synchrotron X-ray scattering techniques including grazing incidence X-ray diffraction and specular crystal truncation rod measurements. An ordered coadsorbed structure of sulfate/bisulfate anions and Hg cations was found at potentials between the first and second Hg UPD peaks (+0.80 V > E > +0.88 V vs Ag/AgCl(3 M KCl)). The coadsorption structure was found to consist of a compressed Hg honeycomb lattice with the honeycomb centers occupied by sulfate or bisulfate anions. The compression of the lattice is likely due to the formation of mercurous (Hg{sub 2}{sup 2+}) ions which have a much shorter Hg-Hg distance than that in frozen bulk Hg crystals. The net charge transferred under the first Hg UPD peak suggests that the chemical state of the species in the coadsorbed structure is likely Hg{sub 2}SO{sub 4}. Our results indicate that both the chemical state of the mercury cations and the nature of the anions are important in the resulting electrodeposited structures. 38 refs., 8 figs., 1 tab.

  9. 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)

    2014-10-28T23:59:59.000Z

    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.

  10. Review of the thermal stability and cation exchange properties of the zeolite minerals clinoptilolite, mordenite, and analcime; applications to radioactive waste isolation in silicic tuff

    SciTech Connect (OSTI)

    Smyth, J.R.; Caporuscio, F.A.

    1981-06-01T23:59:59.000Z

    Silicic tuffs of the southern Great Basin and basalts of the Columbia River Plateau are under investigation as potential host rocks for high- and intermediate-level radioactive wastes. Nonwelded and partially welded tuffs may contain major amounts (> 50%) of the zeolite minerals clinoptilolite, mordenite, and analcime. Densely welded tuffs and some basalt flows may contain clinoptilolite as fracture filling that limits the permeability of these rocks. The cation exchange properties of these zeolite minerals allow them to pose a formidable natural barrier to the migration of cationic species of various radionuclides in aqueous solutions. However, these minerals are unstable at elevated temperatures and at low water-vapor pressures and may break down either by reversible dehydration or by irreversible mineralogical reactions. All the breakdown reactions occurring at increased temperature involve a net volume reduction and evolution of fluids. Thus, they may provide a pathway (shrinkage fractures) and a driving force (fluid pressure) for release of radionuclides to the biosphere. These reactions may be avoided by keeping zeolite-bearing horizons saturated with water and below about 85{sup 0}C. This may restrict allowable gross thermal loadings in waste repositories in volcanic rocks.

  11. "Thermal History of the Bandelier Magmatic System: Evidence for Magma Recharge as Revealed by Cathodoluminescence and Titanium Geothermometry"

    E-Print Network [OSTI]

    ........................................................................................p. 5 · Sample Collection · Sample Preparation · Cathodoluminescence · Laser Ablation Inductively

  12. Discovery and Mechanistic Studies of Facile N-Terminal C?–C Bond Cleavages in the Dissociation of Tyrosine-Containing Peptide Radical Cations

    SciTech Connect (OSTI)

    Mu, Xiaoyan; Song, Tao; Xu, Minjie; Lai, Cheuk-Kuen; Siu, Chi-Kit; Laskin, Julia; Chu, Ivan K.

    2014-03-28T23:59:59.000Z

    Gas phase fragmentations of protein and peptide (M) ions in a mass spectrometer—induced by, for example, electron-capture dissociation1-2 and electron-transfer dissociation3-422 —form the foundation for top-down amino acid sequencing approaches for the rapid identification of protein components in complex biological samples. During these processes, protonated protein and peptide radicals ([M + nH]•(n – 1)+)5–8 are generated; their fragmentations are governed largely by the properties of the unpaired electron. Because of their importance in modern bioanalytical chemistry, considerable attention has been drawn recently toward understanding the radical cation chemistry behind the fragmentations of these odd-electron biomolecular ions in the gas phase.

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

    SciTech Connect (OSTI)

    Wang, Siwei [University of South Carolina, Columbia] [University of South Carolina, Columbia; Chen, Yan [ORNL] [ORNL; Fang, Shumin [University of South Carolina, Columbia] [University of South Carolina, Columbia; Zhang, Lingling [University of South Carolina, Columbia] [University of South Carolina, Columbia; Tang, Ming [Los Alamos National Laboratory (LANL)] [Los Alamos National Laboratory (LANL); An, Ke [ORNL] [ORNL; Brinkman, Dr. Kyle S. [Savannah River National Laboratory (SRNL), Aiken, S.C.] [Savannah River National Laboratory (SRNL), Aiken, S.C.; Chen, Fanglin [University of South Carolina, Columbia] [University of South Carolina, Columbia

    2014-01-01T23:59:59.000Z

    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.

  14. Enhanced ferroelectric and dielectric properties of (111)-oriented highly cation-ordered PbSc{sub 0.5}Ta{sub 0.5}O{sub 3} thin films

    SciTech Connect (OSTI)

    Chopra, Anuj [Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle (Saale) (Germany); Faculty of Science and Technology, MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Birajdar, Balaji I. [Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle (Saale) (Germany); Special Centre for Nano Sciences, Jawaharlal Nehru University, New Delhi 110067 (India); Kim, Yunseok [Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle (Saale) (Germany); School of Advanced Materials Science and Engineering, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Alexe, Marin [Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle (Saale) (Germany); Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Hesse, Dietrich [Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle (Saale) (Germany)

    2013-12-14T23:59:59.000Z

    Cation-ordered (111)-oriented epitaxial PbSc{sub 0.5}Ta{sub 0.5}O{sub 3} (PST) thin films were deposited by pulsed laser deposition on SrRuO{sub 3}-electroded SrTiO{sub 3} (111) substrates at three different temperatures of 525?°C, 550?°C, and 575?°C. All the films were well crystalline and (111)-oriented at all the three growth temperatures; however, the films deposited at the temperatures other than 550?°C exhibited the presence of a pyrochlore phase. X-ray diffraction analysis and transmission electron microscopy measurements revealed that the films were epitaxial and highly cation-ordered. In comparison to (001)-oriented PST films, (111)-oriented films on SrRuO{sub 3}/SrTiO{sub 3} (111) exhibited enhanced ferroelectric and dielectric properties with a broad size distribution of cation-ordered domains (5–100?nm). At a measurement temperature of 100?K, the remnant polarization of PST (111) films is almost ?3 times larger than the remnant polarization observed for (001)-oriented PST films, which is attributed to the (111) orientation of the films, as the spontaneous polarization in PST lies close to the [111] direction. The observed dielectric constant and loss at 1?kHz were around 1145 and 0.11, respectively. The dielectric constant is thus almost three times higher than for previously reported (001)-oriented PST thin films, most probably due to the enhancement in cation-ordering.

  15. 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., E-mail: ranjith@iith.ac.in [Department of Materials Science and Metallurgical Engineering, Indian Institute of Technology Hyderabad, Ordnance Factory Estate, Yeddumailaram 502205 (India); Manivelraja, M. [Defence Metallurgical Research Laboratory, Hyderabad 500058 (India)

    2014-07-21T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Muthukumar, Kaliappan [University of Cincinnati; Yu, Junjun [University of Cincinnati; Xu, Ye [ORNL; Guliants, Vadim V. [University of Cincinnati

    2011-01-01T23:59:59.000Z

    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.

  17. 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)

    2014-09-14T23:59:59.000Z

    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.

  18. Communication: Two-step explosion processes of highly charged fullerene cations C{sub 60}{sup q+} (q = 20–60)

    SciTech Connect (OSTI)

    Yamazaki, Kaoru; Nakamura, Takashi; Kanno, Manabu; Kono, Hirohiko, E-mail: hirokiko-kono@m.tohoku.ac.jp [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Niitsu, Naoyuki [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Nanosystem Research Institute (NRI), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba Central 2, 1-1-1 Umezono, Tsukuba 305-8568 (Japan); Ueda, Kiyoshi [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

    2014-09-28T23:59:59.000Z

    To establish the fundamental understanding of the fragmentation dynamics of highly positive charged nano- and bio-materials, we carried out on-the-fly classical trajectory calculations on the fragmentation dynamics of C{sub 60}{sup q+} (q = 20–60). We used the UB3LYP/3-21G level of density functional theory and the self-consistent charge density-functional based tight-binding theory. For q ? 20, we found that a two-step explosion mechanism governs the fragmentation dynamics: C{sub 60}{sup q+} first ejects singly and multiply charged fast atomic cations C{sup z+} (z ? 1) via Coulomb explosions on a timescale of 10 fs to stabilize the remaining core cluster. Thermal evaporations of slow atomic and molecular fragments from the core cluster subsequently occur on a timescale of 100 fs to 1 ps. Increasing the charge q makes the fragments smaller. This two-step mechanism governs the fragmentation dynamics in the most likely case that the initial kinetic energy accumulated upon ionization to C{sub 60}{sup q+} by ion impact or X-ray free electron laser is larger than 100 eV.

  19. 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

  20. 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

    2013-07-15T23:59:59.000Z

    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.

  1. Photochemical generation of alkyl radicals and their reactions with methyl viologen radical cation and with transition-metal complexes in aqueous solution

    SciTech Connect (OSTI)

    Bakac, A.; Espenson, J.H. (Iowa State Univ., Ames (USA))

    1989-10-04T23:59:59.000Z

    The irradiation of aqueous solutions of RCo((14)aneN{sub 4})(H{sub 2}O){sup 2+} (R = CH{sub 3}, C{sub 2}H{sub 5}, 1-C{sub 3}H{sub 7}, CH{sub 2}Cl, CH{sub 2}Br, CH{sub 2}OCH{sub 3}) with visible light, {lambda} {le} 400 nm, results in the homolysis of the cobalt-carbon bond. These complexes are quite unreactive toward a variety of dealkylating and redox reagents and thus represent a convenient source of small unstabilized carbon-centered radicals in the presence of potential substrates. The radicals react rapidly with the methyl viologen radical cation, k{sub MB} = (1-2) {times} 10{sup 9} M{sup {minus}1} s{sup {minus}1}. The kinetics of the formation of RCr{sup 2+} and RCo((14)aneN{sub 4})(H{sub 2}O){sup 2+} in the reactions of radicals with Cr{sup 2+} and Co((14)aneN{sub 4})(H{sub 2}O){sub 2}{sup 2+}, respectively, were studied by using MV{sup +} as a probe. The respective rate constants have values k{sub Cr} = (1.9-2.4) {times} 10{sup 8} M{sup {minus}1} s{sup {minus}1} and k{sub Co} = (1-2) {times} 10{sup 7} M{sup {minus}1} s{sup {minus}1} for all the radicals examined. 36 refs., 2 figs., 1 tab.

  2. Insight into cation disorder of Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4}

    SciTech Connect (OSTI)

    Bini, Marcella [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy); Ferrari, Stefania, E-mail: stefania.ferrari@unipv.it [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy); Capsoni, Doretta; Spreafico, Clelia; Tealdi, Cristina; Mustarelli, Piercarlo [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy)

    2013-04-15T23:59:59.000Z

    Transition metal lithium orthosilicates are promising cathode materials for lithium-ion batteries. Here we report a combined experimental (in situ X-ray diffraction) and computational (static lattice and molecular dynamics) study of the thermal behavior of the Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4} orthosilicate from room temperature to 950 °C. Our X-ray results showed that Pmnb polymorph is the most stable all over the explored temperature range. A significant cation disorder up to 80%, based on the anti-site defect, was found. The defect concentration depends on the synthesis route and temperature, and is completely reversible after the thermal treatments. Moreover, a careful analysis of the impurity phases allowed us to identify Li{sub 2}SiO{sub 3}, Fe{sub 3}O{sub 4} and Li{sub 3}Fe{sub 5}O{sub 8}, the last one never reported before. The minimization of defects by opportunely tuning the synthetic parameters would be of great importance in view of potential applications of these materials in lithium batteries. - Graphical abstract: A combined experimental in situ X-ray diffraction and computational study of the thermal behavior of the Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4} is reported herein. The anti-site defect does justify the diffraction patterns changes with temperature. Highlights: ? Study of the thermal behavior of Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4}. ? The anti-site defect does justify the diffraction patterns changes with temperature. ? The Pmnb polymorph is stable in the investigated temperaturerange.

  3. 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, E-mail: martin.hof@jh-inst.cas.cz [J. Heyrovský Institute of Physical Chemistry of the Academy of Sciences of the Czech Republic v.v.i., Dolejskova 3, 18223 Prague 8 (Czech Republic); Vazdar, Mario [Division of Organic Chemistry and Biochemistry, Rudjer Boškovi? Institute, P.O.B. 180, HR-10002 Zagreb (Croatia); Cwiklik, Lukasz [J. Heyrovský Institute of Physical Chemistry of the Academy of Sciences of the Czech Republic v.v.i., Dolejskova 3, 18223 Prague 8 (Czech Republic); Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6 (Czech Republic); Jungwirth, Pavel [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6 (Czech Republic); Department of Physics, Tampere University of Technology, P.O. Box 692, FI-33101 Tampere (Finland)

    2014-12-14T23:59:59.000Z

    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 ?}.

  4. Identi cation of Physical Models

    E-Print Network [OSTI]

    of building components. The work is related to a CEC research project called #12;PASSYS Passive Solar Components and Systems Testing, on testing of building components related to passive solar energy is thought to be on experiment design for dynamical systems and on the implementation of the methods for es

  5. 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)

    2007-06-05T23:59:59.000Z

    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.

  6. Effect of electrolytes and temperature on dications and radical cations of carotenoids: Electrochemical, optical absorption, and high-performance liquid chromatography studies

    SciTech Connect (OSTI)

    He, Z.; Kispert, L.D.

    1999-11-25T23:59:59.000Z

    The effect of supporting electrolytes and temperature on the behavior of dications and radical cations of carotenoids is studied. Cyclic voltammograms (CVs) of canthaxanthin (I) at 23 and {minus}25 C show that Car{sup sm{underscore}bullet+} of I has similar stability during the time of the CV scan, when using tetrabutylammonium perchlorate (TBAPC), tetrabutylammonium tetrafluoroborate (TBATFB), or tetrabutylammonium hexafluorophosphate (TBAHFP) as supporting electrolyte. However, the stability of Car{sup 2+} decreases when using TBAPC or TBATFB; {beta}-carotene (II) shows similar behavior. The CV of I at {minus}25 C shows a strong cathodic wave (wave 6) near {minus}0.15 V (vs Ag) with an intensity about half that of the neutral oxidation wave when TBAPC or TBATFB is the supporting electrolyte. When TBAHFP is used, wave 6 (ca. {minus}0.05 V vs Ag) is ca. 8 times weaker than when TBAPC or TBATFB is used. This wave results from the reduction of a species that may be a decay product of Car{sup 2+} of I. Results show that these electrolytes commonly used in electrochemical studies may affect the studied systems to different extents. In simultaneous bulk electrolysis (BE) and optical absorption spectroscopic measurements, the absorption band of Car{sup 2+} of I in the presence of 0.1 M TBAHFP can be observed by lowering the BE temperature to {minus}20 C. In the presence of 0.1 M TBAPC or TBATFB, this band is not observed, even at {minus}50 C. Isomerization of neutral I (as shown by HPLC and its blue absorption band shift) is observed only when the Car{sup 2+} absorption band is absent during BE. This observation, along with an increase of the neutral absorption band after stopping BE, suggests that the equilibrium Car + Car{sup 2+} {r{underscore}equilibrium} 2Car{sup {sm{underscore}bullet}+} is shifted to the left because Car{sup 2+} decays more quickly than Car{sup {sm{underscore}bullet}+} in the presence of electrolyte and this is a major path for formation of cis neutral species from cis Car{sup {sm{underscore}bullet}+}. The optical absorption of Car{sup 2+} of I at 18 C in the presence of 0.1 M TBAHFP is obtained, which suggests that Car{sup 2+} of I is not as unstable at room temperature in the presence of TBAHFP as was thought before.

  7. Cation ordering transformations in Ba(Mg{sub 1/3}Ta{sub 2/3})O{sub 3}-BaZrO{sub 3} perovskite solid solutions

    SciTech Connect (OSTI)

    Chai, L.; Akbas, M.A.; Davies, P.K. [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science and Engineering] [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science and Engineering; Parise, J.B. [Univ. of New York, Stony Brook, NY (United States). Dept. of Earth and Space Sciences] [Univ. of New York, Stony Brook, NY (United States). Dept. of Earth and Space Sciences

    1997-09-01T23:59:59.000Z

    The effect of the substitution of BaZrO{sub 3} on the cation ordering in Ba(Mg{sub 1/3}Ta{sub 2/3})O{sub 3} was studied using TEM and X-ray and neutron diffraction. Almost no solubility of Zr was found in the 1:2 ordered, trigonal structure of the Ba(Mg{sub 1/3}Ta{sub 2/3})O{sub 3} end-member (P{bar 3}m1), and a transformation to a 1:1 ordered, cubic (Fm{bar 3}m) phase with a = 2a{sub per} occurs for substitution levels between {approximately}10 and 25 mol% BaZrO{sub 3}. The structure of this Ba({beta}{prime}{sub 1/2}{beta}{double_prime}{sub 1/2})O{sub 3}-type phase consists of two distinct octahedral sites, {beta}{prime} and {beta}{double_prime}. The occupancies of the two cation positions, refined using the Rietveld method, were found to be consistent with a random site model in which {beta}{double_prime} is occupied by Ta, and {beta}{prime} by a random distribution of the remaining cations. The homogeneity range of the 1:1 solid solutions predicted by this model, Ba{l_brace}[Mg{sub (2{minus}y)/3} Ta{sub (1{minus}2y)/3} Zr{sub y}]{sub 1/2}[Ta]{sub 1/2}{r_brace}O{sub 3} (0.0 < y {le} 0.5), is in excellent agreement with that observed experimentally.

  8. Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand to Give the Isolable 17-Electron Tungsten Radical, CpW(CO)2(IMes)•

    SciTech Connect (OSTI)

    Roberts, John A.; Franz, James A.; van der Eide, Edwin F.; Walter, Eric D.; Petersen, Jeffrey L.; DuBois, Daniel L.; Bullock, R. Morris

    2011-09-21T23:59:59.000Z

    A series consisting of a tungsten anion, radical and cation, supported by the N-heterocyclic carbene IMes (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) and spanning formal oxidation states W(0), W(I) and W(II), has been synthesized, isolated, and characterized. Reaction of the hydride CpW(CO)2(IMes)H with KH and 18 crown 6 gives the tungsten anion [CpW(CO)2(IMes)]-[K(18 crown 6)]+. The crystal structure of this complex shows that the K+ interacts not only with the oxygen atoms in the crown ether, but also with the carbonyl oxygens. The electrochemical oxidation of [CpW(CO)2(IMes)]- in acetonitrile is fully reversible (E½ = ?1.65 V vs Cp2Fe+•/0) at all scan rates, indicating that CpW(CO)2(IMes)• is a persistent radical. Hydride transfer from CpW(CO)2(IMes)H to Ph3C+PF6 affords [cis-CpW(CO)2(IMes)(MeCN)]+PF6 . Comproportionation of [CpW(CO)2(IMes)]- with [CpW(CO)2(IMes)(MeCN)]+ gives the 17-electron tungsten radical CpW(CO)2(IMes)•. This complex shows paramagnetically shifted resonances in 1H NMR spectra and has been characterized by IR spectroscopy, low-temperature EPR spectroscopy, and X-ray diffraction. CpW(CO)2(IMes)• is very stable with respect to disproportionation and dimerization. NMR studies of degenerate electron transfer between CpW(CO)2(IMes)• and [CpW(CO)2(IMes)]- are reported. DFT calculations were carried out on CpW(CO)2(IMes)H, as well as on related complexes bearing NHC ligands with N,N´ substituents Me [CpW(CO)2(IMe)H] or H [CpW(CO)2(IH)H] to compare to the experimentally studied IMes complexes with mesityl substituents. These calculations reveal W H homolytic bond dissociation energies (BDEs) to decrease with increasing steric bulk of the NHC ligand, from 67 for CpW(CO)2(IH)H to 64 for CpW(CO)2(IMe)H to 63 kcal/mol for CpW(CO)2(IMes)H. The calculated spin density at W for CpW(CO)2(IMes)• is 0.63. The W radicals CpW(CO)2(IMe)• and CpW(CO)2(IH)• are calculated to form weak W W bonds. The weakly bonded complexes [CpW(CO)2(IMe)]2 and [CpW(CO)2(IH)]2, are predicted to have W-W BDEs of 6 and 18 kcal/mol, respectively, and to dissociate readily to the W-centered radicals CpW(CO)2(IMe)• and CpW(CO)2(IH)•. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  9. Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of cation-exchanged BePO and BeAsORHO analogs

    SciTech Connect (OSTI)

    Nenoff, T.M. [Univ. of California, Santa Barbara, CA (United States)] [Univ. of California, Santa Barbara, CA (United States); Parise, J.B. [State Univ. of New York, Stony Brook, NY (United States)] [State Univ. of New York, Stony Brook, NY (United States); Jones, G.A.; Galya, L.G.; Corbin, D.R.; Stucky, G.D. [DuPont Co., Wilmington, DE (United States)] [DuPont Co., Wilmington, DE (United States)

    1996-08-15T23:59:59.000Z

    This is an extensive study of the non-aluminosilicate analogs of the zeolite RHO. This molecular sieve is of great interest commercially because of its catalytic properties. In the absence of rigid supporting structural subunits (smaller cages or channels), the aluminosilicate RHO exhibits atypical framework flexibility with large displacivere arrangements. The beryllophosphate and beryalloarsenate analogs are easily synthesized under very mild reaction conditions and therefore maybe of interest for inexpensive and rapid commercial production. However,t hey have decreased thermal stability. In an effort to increase thermal stability and explore framework flexibility, we have synthesized and characterized a series of analogs of the non-aluminosilicate RHO framework. All materials crystallize in the space group I23, ranging from a = 13.584-(2) A for Li-BePO RHO to a = 14.224(4) A for Ba-RbBeAsO RHO for hydrated phases. The extra framework cations are distributed over the double 8-ring, single 8-ring, and two single 6-ring sites. Partially and fully dehydrated phases were also studied for changes in framework stability. Predictive trends based on the type of cation exchanged into the framework were determined by {sup 9}Be and {sup 31}P MAS NMR. 50 refs., 8 figs., 6 tabs.

  10. Possible hydride and methide transfer reactions: Reactions of Fe(CO){sub 4}R{sup -} (R=H, CH{sub 3}) and W(CO){sub 5}R{sup -} (R = H, CH{sub 3}, CL, Br, I) with metal carbonyl cations

    SciTech Connect (OSTI)

    Wang, P.; Striejewske, W.S.; Atwood, J.D. [State Univ. of New York, Buffalo, NY (United States)

    1996-02-01T23:59:59.000Z

    Reactions of metal carbonyl cations (M(CO){sub 6}{sup +}, M = Mn, Re) with hydride-, methide- or halide-containing metal carbonyl anions Fe(CO){sub 4}R{sup -}, R = H, Me; W(CO){sub 5} (CH{sub 3}CN) and W(CO){sub 5}X{sup -}. In contrast, the tungsten hydride and methide complexes react, predominantly, by transfer of the hydride or methide to a carbonyl of the cation at a much faster rate. The iron hydride and methide complexes react by iron-based nucleophilicity involving a two-electron process.

  11. Use of comparative geothermometry to reconstruct burial history and timing of oil generation and migration in Niobrara Formation, Berthoud State 4 well, Denver basin, Colorado

    SciTech Connect (OSTI)

    Crysdale, B.L.; Barker, C.E. (Geological survey, Denver, CO (USA))

    1989-09-01T23:59:59.000Z

    Petroleum production from the Upper Cretaceous Niobrara limestone in the Denver basin is largely restricted to the more permeable, fractured portions of the formation. Berthoud State 4 well cores from about 880 to 975 m (2,900-3,200 ft) depth contain zoned calcite in nearly vertical veins. Primary two-phase oil inclusions in these veins homogenize at a mean temperature of about 85{degree}C. Mean random vitrinite-reflectance (R{sub m}) over this same depth interval is 0.65%. Interpretation of this R{sub m}, using an empirical calibration with peak burial-temperature (T{sub peak}), indicates that these rocks reached at T{sub peak} of approximately 100{degree}c. Published clay mineral assemblage data suggest T{sub peak} was at least 100{degree}c. Burial history reconstruction for Berthoud State 4 suggests T{sub peak} was reached about 70 Ma, quickly followed by a 30{degree}-40{degree}C decrease due to uplift and erosion of approximately 3,000 ft of overburden. This short time at peak burial temperature fixes the time of oil migration at near-maximum burial.

  12. Cationic Ruthenium Catalysts for Olefin Hydrovinylation 

    E-Print Network [OSTI]

    Sanchez, Richard P., Jr

    2010-01-14T23:59:59.000Z

    ............................................... 11 1.5 Specific Aim............................................................................. 13 II INVESTIGATION OF A RUTHENIUM-BASED CATALYST SYSTEM FOR THE HYDROVINYLATION REACTION................ 15 2.1 Initial Study... and Application.................................................... 15 2.2 Mode of Deactivation............................................................... 20 III INTRODUCING CHELATING, BIDENTATE PHOSPHINE LIGANDS TO THE RUTHENIUM METAL CENTER...

  13. Supporting Material How Cations Change Peptide Structure

    E-Print Network [OSTI]

    clustered by a k-means clustering as provided in the MMTSB9 with a radius of 0.7 to 1 Å of the Voronoi cells. For a quantitative comparison between the calculated and experimental spectra, we employ the reliability factor RP

  14. Characterization of cation environments in polycrystalline forsterite...

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

    forsterite by Mg-25 MAS, MQMAS, and QCPMG NMR . Abstract: Forsterite (Mg2SiO4) is a silicate mineral frequently studied in the Earth sciences as it has a simple crystal structure...

  15. HYDROXYL CATION IN TRANSLUCENT INTERSTELLAR CLOUDS

    SciTech Connect (OSTI)

    Krelowski, J. [Center for Astronomy, Nicolaus Copernicus University, Gagarina 11, Pl-87-100 Torun (Poland); Beletsky, Y. [European Southern Observatory, Casilla 19001, Santiago 19 (Chile); Galazutdinov, G. A., E-mail: jacek@astri.uni.torun.p, E-mail: ybialets@eso.or, E-mail: runizag@gmail.co [Instituto de AstronomIa, Universidad Catolica del Norte, Avenida Angamos 0610, Antofagasta (Chile)

    2010-08-10T23:59:59.000Z

    High-quality spectra acquired at the European Southern Observatory enabled us to discover a very weak spectral feature of the OH{sup +} molecule, near 3584 A. The species likely shares environments with another molecular ion, CH{sup +}. Its abundance is by a factor of 30 lower than that of neutral OH.

  16. Learning Assumptions for Compositional Veri cation

    E-Print Network [OSTI]

    Pasareanu, Corina

    that the property is either true or false in the system. We have imple- mented our approach in the LTSA tool

  17. Chitosan (polysaccharide) Cationic polyelectrolyte (NH3

    E-Print Network [OSTI]

    Rubloff, Gary W.

    deposition and biofunctionalization Packaging - Polycarbonate packaging material - Leak free packaging by top and bottom polycarbonate pieces Robust sealing technology Biofunctionalization in microfluidic

  18. Veri cation of Automated Vehicle Protection Systems

    E-Print Network [OSTI]

    Lynch, Nancy

    such as PRT 2000TM, a system currently being developed at Raytheon. Due to their safety critical nature, PRT]. Raytheon engineers are currently working on the design and development of a new PRT system called PRT 2000-4033 and F19628-95-C-0118. zNorman M Delisle@ccmail.ed.ray.com. Raytheon Company, 1001 Boston Post Road

  19. Nanoheterostructure Cation Exchange: Anionic Framework Conservation

    E-Print Network [OSTI]

    Jain, Prashant K.

    2010-01-01T23:59:59.000Z

    S. M. ; Yin, Y. ; Paul Alivisatos, A. Science 2004, Chan, E.M. ; Mathies, R. A. ; Alivisatos, A. P. J. Phys. Chem. AErdonmez, C. K. ; Wang, L. ; Alivisatos, A. P. Science 2007,

  20. Franciscan subduction off to a slow start: evidence from high-precision LuHf garnet ages on high grade-blocks

    E-Print Network [OSTI]

    Wang, Zhi "Luke"

    from progressive underthrusting and underplating in a cooling subduction system. Combining geothermometry with geochronological data allow us to estimate cooling rate along the subduction zone interface

  1. Geothermal: Sponsored by OSTI -- GeoT User's Guide: A Computer...

    Office of Scientific and Technical Information (OSTI)

    Program for Multicomponent Geothermometry and Geochemical Speciation, Version 1.4 Geothermal Technologies Legacy Collection HelpFAQ | Site Map | Contact Us HomeBasic Search...

  2. Geothermal: Sponsored by OSTI -- Geochemistry Sampling for Traditional...

    Office of Scientific and Technical Information (OSTI)

    for Traditional and Multicomponent Equilibrium Geothermometry in Southeast Idaho Geothermal Technologies Legacy Collection HelpFAQ | Site Map | Contact Us HomeBasic Search...

  3. Geothermal: Sponsored by OSTI -- Validation of Multicomponent...

    Office of Scientific and Technical Information (OSTI)

    Validation of Multicomponent Equilibrium Geothermometry at Four Geothermal Power Plants Geothermal Technologies Legacy Collection HelpFAQ | Site Map | Contact Us HomeBasic Search...

  4. GTO2015DBm

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

    "Known Geothermal Resource Areas" in Southern Idaho and Eastern Oregon Patrick Dobson, LBNL & Rob Podgorney, INL Improved Geothermometry Through Multivariate Reaction Path...

  5. The Influence of Heat-Treatment Temperature on the Cation Distribution of LiNi0.5Mn0.5O2 and Its Rate Capability in Lithium Rechargeable Batteries

    SciTech Connect (OSTI)

    N Yabuuchi; Y Lu; A Mansour; S Chen; Y Shao-Horn

    2011-12-31T23:59:59.000Z

    LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} samples were prepared from NiMnO{sub 3} and Li{sub 2}CO{sub 3} in a range of temperatures from 900 to 1050 C. Synchrotron X-ray diffraction analysis combined with X-ray absorption spectroscopy showed that LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} segregated into one major Ni{sup 2+}O-enriched phase and one minor Li{sub 2}Mn{sup 4+}O{sub 3}-enriched phase, where the extent of segregation decreased with increasing synthesis temperature from 900 to 1050 C. Scanning and transmission electron microscopy combined with energy dispersive X-ray spectroscopy revealed that the segregated domains exist in individual particles. Although all of the LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} samples showed comparable specific capacity ({approx}200 mAh/g) and capacity retention at low current densities, the rate capability of LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} of 900 C is lower than that of LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} of 1000 C. As X-ray photoelectron spectroscopy analysis showed that all of the LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} samples had comparable surface chemistry, the higher rate capability of LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} of 1000 C can be attributed to reduced cation segregation of Ni{sup 2+}O-enriched domains in the layered structure of the major phase, having potentially faster lithium diffusion than that of LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} of 900 C.

  6. Electron-doping through La{sup III}-for-Sr{sup II} substitution in (Sr{sub 1-} {sub x} La {sub x} ){sub 2}FeTaO{sub 6}: Effects on the valences and ordering of the B-site cations, Fe and Ta

    SciTech Connect (OSTI)

    Rautama, E.-L. [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Laboratory of Inorganic and Analytical Chemistry, Helsinki University of Technology, FIN-02015 HUT (Finland); Chan, T.S. [Department of Chemistry and Center for Nano Storage Research, National Taiwan University, Taipei, (China); Liu, R.S. [Department of Chemistry and Center for Nano Storage Research, National Taiwan University, Taipei, (China); Chen, J.M. [National Synchrotron Radiation Research Center, Hsinchu, (China); Yamauchi, H. [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Karppinen, M. [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)]. E-mail: karppinen@msl.titech.ac.jp

    2006-01-15T23:59:59.000Z

    We have employed aliovalent A-site cation substitution, La{sup III}-for-Sr{sup II}, to dope the Sr(Fe{sub 0.5}Ta{sub 0.5})O{sub 3} perovskite oxide with electrons. Essentially single-phase samples of (Sr{sub 1-} {sub x} La {sub x} )(Fe{sub 0.5}Ta{sub 0.5})O{sub 3} were successfully synthesized up to x{approx}0.3 in a vacuum furnace at 1400 deg. C. The samples were found to crystallize (rather than with orthorhombic symmetry) in monoclinic space group P2{sub 1}/n that accounts for the partial ordering of the B-site cations, Fe and Ta. With increasing La-substitution level, x, the degree of Fe/Ta order was found to increase such that the La-richest compositions are best described by the B-site ordered double-perovskite formula (Sr,La){sub 2}FeTaO{sub 6}. From Fe L {sub 3} and Ta L {sub 3} XANES spectra it was revealed that upon electron doping the two B-site cations, Fe{sup III} and Ta{sup V}, are both prone to reduction. Magnetic susceptibility measurements showed spin-glass type behaviour for all the samples with a transition temperature slightly increasing with increasing x. -- Graphical abstract: Valence states of Fe and Ta are controlled in the partially ordered perovskite oxide (Sr,La){sub 2}FeTaO{sub 6}, through aliovalent La{sup III}-for-Sr{sup II} substitu0010ti.

  7. Cation-Cation Interactions in [(UO2)2(OH)n](4-n) Complexes. ...

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

    and (UO2)2(OH)5- shows that the CCIs and bridging hydroxo between the dioxo-uranium units are mainly electrostatic in nature. Citation: Odoh SO, N Govind, G...

  8. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What's PossibleRadiation Protection TechnicalResonantNovember 15 toAdvancesRockSodium Natrolite |

  9. Long range B-site cation ordering and Briet–Wigner–Fano line shape of A{sub 1g}-like Raman mode in Nd{sub 1?x}Sm{sub x}(Mg{sub 0.5}Ti{sub 0.5})O{sub 3} microwave dielectric ceramics

    SciTech Connect (OSTI)

    Kiran, S. Roopas [Department of Physics, Indian Institute of Technology Madras, Chennai 600036 (India)] [Department of Physics, Indian Institute of Technology Madras, Chennai 600036 (India); Babu, G. Santosh; Narayana, Chandrabhas [Light Scattering Laboratory, Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India)] [Light Scattering Laboratory, Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India); Murthy, V.R.K., E-mail: vrkm@iitm.ac.in [Department of Physics, Indian Institute of Technology Madras, Chennai 600036 (India)] [Department of Physics, Indian Institute of Technology Madras, Chennai 600036 (India); Subramanian, V. [Department of Physics, Indian Institute of Technology Madras, Chennai 600036 (India)] [Department of Physics, Indian Institute of Technology Madras, Chennai 600036 (India)

    2013-02-15T23:59:59.000Z

    Graphical abstract: Display Omitted Highlights: ? Q × f of Nd{sub 1–x}Sm{sub x}(Mg{sub 0.5}Ti{sub 0.5})O{sub 3} are correlated with B-site cation ordering (LRO). ? Correlation between LRO and ? of A{sub 1g}-like mode in Raman spectrum is observed. ? Reason for asymmetry in A{sub 1g}-like Raman mode in these materials is revealed. ? Briet–Wigner–Fano resonance is confirmed with temperature variation in Raman spectra. -- Abstract: Nd{sub 1?x}Sm{sub x}(Mg{sub 0.5}Ti{sub 0.5})O{sub 3} (x = 0.0–1.0) samples were prepared by solid-state reaction method. Rietveld refinement of X-ray diffraction data was done using P2{sub 1}/n space group with monoclinic symmetry, which supports 1:1 B-site cation ordering. Long range ordering (LRO) parameter decreased up to x = 0.5 and then found to increase with further increase in Sm concentration. The A{sub 1g}-like mode in Raman spectra was observed to possess Briet–Wigner–Fano line shape. The variation in obtained line width of the A{sub 1g}-like mode supported LRO. Microwave dielectric characteristics such as dielectric constant (?{sub r}), quality factor (Q) and temperature coefficient of resonant frequency (?{sub f}) were measured in the range of 7–9 GHz. ?{sub r} decreased from 26.5 to 24.9 and ?{sub f} become less negative from ?58 ppm/°C to ?36 ppm/°C with increase in Sm concentration. Q × f decreased from 47,500 GHz (for x = 0) to 39,800 GHz (for x = 0.5) and then increased to 44,600 GHz (for x = 1).

  10. A Review of Methods Applied by the US Geological Survey in the...

    Open Energy Info (EERE)

    preferred chemical geothermometers for estimates of reservoir temperatures, estimates of reservoir volumes, and geothermal energy recovery factors. Monte Carlo simulations are...

  11. ammonium cations exert: Topics by E-print Network

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

    ground-water contamination, and natural remediation contributed to understanding of water-supply sustainability, ground-watersurface-water interactionsDetermination of the (...

  12. 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

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

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

    11 Solid-State Dye-Sensitized Solar Cells from Polymer11. Solid-State Dye-Sensitized Solar Cells from Polymerof Gratzel type dye-sensitized solar cells and the Honda–

  14. acyl pyridinium cation: Topics by E-print Network

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

    gas-solid chromatographic model studied in Ja. In JSV appears a more general model of isotherm ( uid Seplveda, Mauricio 129 Visual Exploration of Uncertainty in...

  15. alkali metal cations: Topics by E-print Network

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

    gas-solid chromatographic model studied in Ja. In JSV appears a more general model of isotherm ( uid Seplveda, Mauricio 279 Visual Exploration of Uncertainty in...

  16. alkali metal cation: Topics by E-print Network

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

    gas-solid chromatographic model studied in Ja. In JSV appears a more general model of isotherm ( uid Seplveda, Mauricio 279 Visual Exploration of Uncertainty in...

  17. alcali metal cations: Topics by E-print Network

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

    gas-solid chromatographic model studied in Ja. In JSV appears a more general model of isotherm ( uid Seplveda, Mauricio 112 Visual Exploration of Uncertainty in...

  18. Formal Development and Veri cation of Approximation Algorithms Using Auxiliary

    E-Print Network [OSTI]

    Müller-Olm, Markus

    Berghammer 1 and Markus Muller-Olm 2 1 Institut fur Informatik und Praktische Mathematik Universitat Kiel

  19. HEAVY GOLD CLUSTER BEAMS production and identi cation

    E-Print Network [OSTI]

    Boyer, Edmond

    . This method is based on the acceleration of the clusters to high energy (MeV) and on the measurement, after to select heavy Aun cluster beams for applications at low energy (keV) in mass spectrometry. 1. Introduction, with a multianode detector 7], the number of constituents coming out of the foil. High energy clusters, accelerated

  20. Charge Localization in Cation-Sulfate Complexes: Implications...

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

    of the Electron Localisation Function. Density Functional Theory gas-phase geometry optimisation calculations revealed that unbound oxygens of the sulphate molecules contracted to...

  1. Eect Modi...cation and Design Sensitivity in Observational Studies

    E-Print Network [OSTI]

    Small, Dylan

    adjusting for measured pretreatment covariates, perhaps by matching, a sensitivity analysis determines a treatment and a pretreatment covariate controlled by matching, so that the treatment e¤ect is larger at some discovered empirically in the data at hand. In case (i), subgroup speci...c bounds on P-values are combined

  2. Statistical Control of RBF-like Networks for Classi cation

    E-Print Network [OSTI]

    Jankowski, Norbert

    by Platt in the main idea of the expanding the net- work. The statistical novel criterion is used The University of She eld, UK, e-mail: visakan@acse.shef.ac.uk Abstract. Incremental Net Pro (IncNet Pro. The architecture of the net is based on RBF networks. Extended Kalman Filter algorithm and its new fast version

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

    E-Print Network [OSTI]

    Chiu, Ching-Wen

    2009-05-15T23:59:59.000Z

    .86 and -1.56 (vs. Fc/Fc+) corresponding to the formation of stable neutral and anionic derivatives. The one-electron reduction of [27]+ leads to the formation of a boron containing neutral radical featuring an unusual boron-carbon one-electron ? bond...

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

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

    to achieve efficient photovoltaic performance. Our approach11.3.3 Photovoltaic Performances ……………………………………… 290 ixpolymers to achieve photovoltaic performance comparable to

  5. 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)

    2013-11-28T23:59:59.000Z

    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 +}.

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

    E-Print Network [OSTI]

    Mei, Hui

    2010-07-14T23:59:59.000Z

    Page Figure 4.3 Concentration of total calcium in wild type, vnx1#1;, vector-, cax1-, and HA-cax1 expressing vnx1#1; yeast cells ............................ 79 Figure 4.4 Ca2+/H+ antiport activity in pmr1#1;, vnx1#1; pmr1#1;, and vnx1#1; pmr...

  7. 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

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

    E-Print Network [OSTI]

    Kherb, Jaibir

    2012-02-14T23:59:59.000Z

    and energy of the generated beam was 50 mJ/pulse. The fundamental 1064 laser beam was then sent to an optical parametric generator/amplifier (OPG/OPA) stage system ((LaserVision, Bellevue, WA).46 Firstly, the horizontally polarized 1064 nm beam....8 Schematic diagram showing the principle of vibrational sum frequency spectroscopy (VSFS). a) Temporal and spatial overlapping of input infrared and visible beams at the sample surface to generate the sum frequency...

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

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

    studies have created a DSSC multilayer photoanode with sub-from 2.4 % to 5.4 % in DSSC performance compared with

  10. Laboratoire d'Identifi-cation et de modlisa-

    E-Print Network [OSTI]

    Boyer, Edmond

    Génie minéral, �cole Mohammadia d'ingénieurs, BP 765, Rabat-Agdal, MAROC Mohamed Faouzi et Abdelkader nappe phréatique des Beni-Amir (Tadla, Maroc) Les contacts IngénieriesN°27­p.23à36 Septembre2001 L e périmètre des Béni-Amir (Tadla) est l'un des plus anciens périmètres irrigués du Maroc. Sa première mise en

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

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

    3313, 1- Izak, P. ; Hrma, P. ; Arey, B. W. ; Plaisted, T.3313, 1- Izak, P. ; Hrma, P. ; Arey, B. W. ; Plaisted, T.3313, 1- Izak, P. ; Hrma, P. ; Arey, B. W. ; Plaisted, T.

  12. Ultrafast Extreme Ultraviolet Induced Isomerization of Acetylene Cations

    E-Print Network [OSTI]

    Jiang, Y.

    2012-01-01T23:59:59.000Z

    PHYSICAL REVIEW LETTERS PRL 105, 263002 (2010) week endingAmerican Physical Society PRL 105, 263002 (2010) PHYSICALcould not be distinguished. PRL 105, 263002 (2010) PHYSICAL

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

    E-Print Network [OSTI]

    Leamer, Lauren Anne

    2013-05-06T23:59:59.000Z

    .................................................. 31 27. Top: Fluoride capture and release protocol using [34]+. Bottom: Examples of fluorination reactions ................................................................ 33 28. Synthesis of 37, 38, and [39...-withdrawing substituents in triarylboranes constitutes a well-established method for enhancing their Lewis acidity.11 Noteworthy applications for these fluorinated boranes include the activation of transition metal and main group species via anionic ligand abstraction...

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

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

    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

  15. Selective Facet Reactivity During Cation Exchange in Cadmium Sulfide Nanorods

    E-Print Network [OSTI]

    Sadtler, Bryce

    2009-01-01T23:59:59.000Z

    Li, J. ; Wang, L. -W. ; Alivisatos, A. P. Nature (8) Mokari,B. ; Erdonmez, C. K. ; Alivisatos, A. P. ; Wang, L. -W. ACSS. ; Sadtler, B. ; Alivisatos, A. P. Nano Letters 2007, 7,

  16. Spontaneous Superlattice Formation in Nanorods through Partial Cation Exchange

    E-Print Network [OSTI]

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

    2008-01-01T23:59:59.000Z

    A. B. Herhold, A. P. Alivisatos, Physical Review Letters 84,M. L. Geier, A. P. Alivisatos, Science 310, 462 (2005). D.P. Gin, S. Weiss, A. P. Alivisatos, Science 281, 2013 W. C.

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

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

    comprises a main chamber, detector, liquid microjet, skimmer, liquid nitrogen traps, turbo pumps, and a differential pump section (not shown here). A density functional theory...

  18. APPIA-GULP-PRODE 1999 Mechanical veri cation of a

    E-Print Network [OSTI]

    Reina, José Luis Ruiz

    .A. Alonso, M.J. Hidalgo and F.J. Mart#19;#16;n CcIa AGP'99 2 #12; The Boyer-Moore theorem prover x We use in the Boyer-Moore theorem prover Dpto. de Ciencias de la Computaci#19;on e Inteligencia Arti#12;cial Universidad de Sevilla J. L. Ruiz, J.A. Alonso, M.J. Hidalgo and F.J. Mart#19;#16;n CcIa AGP'99 1 #12; Formal

  19. Combining Lazy Narrowing and Simpli cation ? Michael Hanus

    E-Print Network [OSTI]

    Hanus, Michael

    with a complete operational semantics are based on narrowing. In order to avoid useless computations and to deal was supported in part by the German Ministry for Research and Technology (BMFT) under grant ITS 9103. Similarly to pure functional programming, such a lazy strat- egy avoids some useless steps in comparison

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

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

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

  1. EURIS, a Speci cation Method for Distributed Interlockings

    E-Print Network [OSTI]

    Grant, P. W.

    system; UniS- pec 1 Introduction The control and management of a railway system consists of three is a medium between the infrastructure at the one side, and the logistic layer and its interfaces at the other side. Part of the checks on safety may be performed in the logistic layer, but the ultimate

  2. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling7111AWell: Gas productionDynamic , andCOMMISSION

  3. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisiting the TWPSuccessAlamos

  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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C oCNMSStaffCeriumfor theChapter

  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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C oCNMSStaffCeriumfor theChapterCharacterization of

  6. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C oCNMSStaffCeriumfor theChapterCharacterization

  7. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C oCNMSStaffCeriumfor

  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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, searchOfRoseConcernsCompany Oil and GasOff the GridHome All0

  9. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluating AGeothermal/Exploration <Glacial Energy HoldingsGlacialReport |AtlasOpenEI

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

    Open Energy Info (EERE)

    Hot Springs, and in the south-central part of LVNP in the Walker "O" No. 1 well at Terminal Geyser are rich in chloride and yield calculated geothermometer temperatures between...

  11. Favorable Geochemistry from Springs and Wells in COlorado

    SciTech Connect (OSTI)

    Zehner, Richard E.

    2012-02-01T23:59:59.000Z

    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

  12. 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. (Massachusetts Inst. of Technology, Cambridge (United States))

    1993-06-03T23:59:59.000Z

    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

  13. The Role of Basis Set Superposition Error in Water Addition Reactions to Ln(III) Cations

    SciTech Connect (OSTI)

    Kvamme, Brandon; Wander, Matthew C F.; Clark, Aurora E.

    2009-06-01T23:59:59.000Z

    Our goal in this work was to characterize the importance of basis set superposition error (BSSE) in the reaction energetics of water addition to highly charged metal ions that exhibit strong ion-dipole interactions with water. The gas phase water addition reactions, M(H?O)³+N + H?O ? M(H?O)³+N ? ? [M = La(III), Lu(III); N = 0–8] have been studied, with a particular emphasis on a posteriori methods for calculating BSSE and its constituent energetic components as a function of M(H?O) ³+N cluster size and water basis set. Because of accumulation of BSSE within the subclusters in the reaction series, the successive reaction counterpoise method for determining the BSSE correction interaction energies is advocated.

  14. III Fiuiice 4 (1994) 443-455 MARCH 1994, PAGE 443 CIM~,f,cation

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    -i-I 81.60J 81.70 82.30 Etude des paramktres de vieillissement d'un systkme d'isolation film PETP, prd,enient lePETP) et'humiditd apparait comme le facteur Ie plu~ important de ddgradation du PETP. Abstract. A study of polyethylene

  15. Synthesis, Characterization, to application of water soluble and easily removable cationic pressure sensitive adhesives

    SciTech Connect (OSTI)

    Institute of Paper Science Technology

    2004-01-30T23:59:59.000Z

    In recent years, the world has expressed an increasing interest in the recycling of waste paper to supplement the use of virgin fiber as a way to protect the environment. Statistics show that major countries are increasing their use of recycled paper. For example, in 1991 to 1996, the U.S. increased its recovered paper utilization rate from 31% to 39%, Germany went from 50% to 60%, the UK went from 60% to 70%, France increased from 46% to 49%, and China went from 32% to 35% [1]. As recycled fiber levels and water system closures both increase, recycled product quality will need to improve in order for recycled products to compete with products made from virgin fiber [2]. The use of recycled fiber has introduced an increasing level of metal, plastic, and adhesive contamination into the papermaking process which has added to the complexity of the already overwhelming task of providing a uniform and clean recycle furnish. The most harmful of these contaminates is a mixture of adhesives and polymeric substances that are commonly known as stickies. Stickies, which enter the mill with the pulp furnish, are not easily removed from the repulper and become more difficult the further down the system they get. This can be detrimental to the final product quality. Stickies are hydrophobic, tacky, polymeric materials that are introduced into the papermaking system from a mixture of recycled fiber sources. Properties of stickies are very similar to the fibers used in papermaking, viz. size, density, hydrophobicity, and electrokinetic charge. This reduces the probability of their removal by conventional separation processes, such as screening and cleaning, which are based on such properties. Also, their physical and chemical structure allows for them to extrude through screens, attach to fibers, process equipment, wires and felts. Stickies can break down and then reagglomerate and appear at seemingly any place in the mill. When subjected to a number of factors including changes in pH, temperature, concentration, charge, and shear forces, stickies can deposit [3]. These deposits can lead to decreased runnability, productivity and expensive downtime. If the stickie remains in the stock, then machine breaks can be common. Finally, if the stickie is not removed or deposited, it will either leave in the final product causing converting and printing problems or recirculate within the mill. It has been estimated that stickies cost the paper industry between $600 and $700 million a year due to the cost of control methods and lost production attributed to stickies [3]. Also, of the seven recycling mills opened in the United States between 1994 and 1997, four have closed citing stickies as the main reason responsible for the closure [4]. Adhesives are widely used throughout the paper and paperboard industry and are subsequently found in the recycled pulp furnish. Hodgson stated that even the best stock preparation process can only remove 99% of the contaminants, of which the remaining 1% is usually adhesives of various types which are usually 10-150 microns in effective diameter [5]. The large particles are removed by mechanical means such as cleaners and screens, and the smaller, colloidal particles can be removed with washing. The stickies that pass through the cleaning and screening processes cause 95% of the problems associated with recycling [6]. The cleaners will remove most of the stickies that have a density varying from the pulp slurry ({approx}1.0 g/cm3) and will accept stickies with densities ranging from 0.95-1.05 g/cm3 [2]. The hydrophobicity of the material is also an important characteristic of the stickie [7]. The hydrophobicity causes the stickies to agglomerate with other hydrophobic materials such as other stickies, lignin, and even pitch. The tacky and viscous nature of stickies contributes to many product and process problems, negatively affecting the practicality of recycled fiber use. The source of stickies that evade conventional removal techniques are usually synthetic polymers, including acrylates, styrene butadiene rub

  16. of the high-temperature structural modifi-cations of iron between 30 and 60 GPa.

    E-Print Network [OSTI]

    Madariaga, Raúl

    . Geophys. Res., in press. 2. J. M. Brown and R. G. McQueen, ibid. 91, 7485 (1986). 3. R. Boehler, Geophys, 1312 (1993); S. K. Saxena et al., ibid. 269, 1703 (1995). 5. C. S. Yoo, J. Akella, A. J. Campbell, H. K)]. 8. As mentioned in previous reports [D. L. Heinz, Geo- phys. Res. Lett. 17, 1161 (1990); see (6

  17. A Mechanically Veri ed Compiling Speci cation for a Lisp Compiler ?

    E-Print Network [OSTI]

    Biundo, Susanne

    Vialard Fakultat fur Informatik Universitat Ulm D-89069 Ulm, Germany Fax: +49/(0)731/50-24119 fdold steps through a series of in- termediate languages. This paper focuses on the #12;rst phase, namely The use of computer based systems for safety-critical applications requires high dependability

  18. a-site cation ordering: Topics by E-print Network

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

    gas-solid chromatographic model studied in Ja. In JSV appears a more general model of isotherm ( uid Seplveda, Mauricio 102 Visual Exploration of Uncertainty in...

  19. a-site cation deficiency: Topics by E-print Network

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

    gas-solid chromatographic model studied in Ja. In JSV appears a more general model of isotherm ( uid Seplveda, Mauricio 87 Visual Exploration of Uncertainty in...

  20. Role of Specific Cations and Water Entropy on the Stability of Branched DNA Motif Structures

    E-Print Network [OSTI]

    Goddard III, William A.

    energy barrier is dominated by entropic effects that result from the decreased surface area, Bangalore, India 560012 Division of Immunology, Beckman Research Institute of the City of Hope, Duarte computer simulations in explicit water and salt on a model TWJ and use free energy calculations to quantify

  1. Stabilization of the aspartate 15- alanine mutant of Ribonuclease T1 by cation binding

    E-Print Network [OSTI]

    Farag, Deborah June

    1993-01-01T23:59:59.000Z

    studies (Yutani et al. , 1987; Matsumura et al. , 1988a, b; Eriksson et al. , 1992; Kellis et al. , 1989; Shortie et al. , 1990; Sandberg & Terwiliger, 1991), in which a larger side-chain was replaced by one that is smaller. He concluded...

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

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    , and Pedro J. J. Alvarez*, Department of Civil & Environmental Engineering, Department of Chemistry of Civil & Environmental Engineering, University of Iowa, Iowa City, Iowa 52242, United States *S functionality for cellular labeling, drug delivery, solar cells, and quantum computation.1-3 Their fluorescent

  3. Ordering of cations in the voids of the anionic framework of the crystal structure of catapleiite

    SciTech Connect (OSTI)

    Yakubovich, O. V., E-mail: yakubol@geol.msu.ru [Moscow State University, Faculty of Geology (Russian Federation); Karimova, O. V. [Russian Academy of Sciences, Institute of Geology of Ore Deposits, Petrography, Mineralogy, and Geochemistry (Russian Federation); Ivanova, A. G. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Yapaskurt, V. O. [Moscow State University, Faculty of Geology (Russian Federation); Chukanov, N. V. [Russian Academy of Sciences, Institute of the Problems of Chemical Physics (Russian Federation); Kartashov, P. M. [Russian Academy of Sciences, Institute of Geology of Ore Deposits, Petrography, Mineralogy, and Geochemistry (Russian Federation)

    2013-05-15T23:59:59.000Z

    The pseudohexagonal crystal structure of the mineral catapleiite Na{sub 1.5}Ca{sub 0.2}[ZrSi{sub 3}(O,OH){sub 9}] {center_dot} 2(H{sub 2}O,F) from the Zhil'naya Valley in the central part of the Khibiny alkaline massif (Kola Peninsula, Russia) is studied by X-ray diffraction (XCalibur-S diffractometer, R = 0.0346): a = 20.100(4), b = 25.673(5), and c = 14.822(3) A; space group Fdd2, Z = 32, and {rho}{sub calcd} = 2.76 g/cm{sup 3}. Fluorine atoms substituting part of H{sub 2}O molecules in open channels of the crystal structure have been found for the first time in the catapleiite composition by microprobe analysis. The pattern of distribution of Na and Ca atoms over the voids of the mixed anionic framework consisting of Zr-octahedra and three-membered rings of Si-tetrahedra accounts for the pronounced pseudoperiodicity along the a and c axes of the pseudohexagonal unit cell and for the lowering of crystal symmetry to the orthorhombic one. It is shown that part of the hydrogen atoms of water molecules is statistically disordered; their distribution correlates with the pattern of the population of large eight-vertex polyhedra by Na and Ca atoms.

  4. Summer school MOVEP 2002 MOdelling and VEri cation of parallel Processes

    E-Print Network [OSTI]

    Ryan, Mark

    checking and program analysis", Markus Mueller-Olm (University of Dortmund) 2. \\Model checking in#12;nite

  5. 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

  6. anion-cation permeability correlates: Topics by E-print Network

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

    outside cell High water Rose, Michael R. 16 Improved permeability prediction using multivariate analysis methods Texas A&M University - TxSpace Summary: . In statistics,...

  7. 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

  8. 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 290 eV clearly indicate a preferential interaction of sodium versus potassium, which was less apparent interactions aqueous systems The discovery of the selective interactions between simple ions and proteins dates

  9. Structure and Stability of Hexa-Aqua V(III) Cations in Vanadium...

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

    and ion-pair formation process. However, the powder precipitate shows a multiphase nature which warrants multiple reaction pathways for precipitation reaction....

  10. Interactions between acidic polysaccharides and trivalent cations: their effect on intestinal dietary cholesterol absorption

    E-Print Network [OSTI]

    Bradbury, Elizabeth Louise

    1978-01-01T23:59:59.000Z

    of alum (baking powder), (200 mg Al), a quick bread made with alum and a pectin preserve. Analyses of the serum cholesterol snd triglyceride concentzations were run on a Technicon SNAC System 18 provided by Dr, F. Gyorkey at the V ~ A. Hosp1tal...

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

    E-Print Network [OSTI]

    Youssef, Mostafa Youssef Mahmoud

    2010-01-01T23:59:59.000Z

    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 ...

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

    E-Print Network [OSTI]

    Rodriguez, AR; Choe, U-J; Kamei, DT; Deming, TJ

    2015-01-01T23:59:59.000Z

    poly(L-methionine) 65 -block- poly(L-leucine 0.5 -stat-L-phenylalanine 0.5 ) 20 , M65 (L 0.5 /F 0.5 ) 20 , by its direct alkylation in water

  13. 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

  14. Robot Map Veri cation of a Graph World X. Deng, E. Milios, A. Mirzaian

    E-Print Network [OSTI]

    Milios, Evangelos E.

    Science, York University Toronto, Ontario, Canada, M3J 1P3 fdeng,eem,andyg@cs.yorku.ca. April 12, 1998

  15. 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

  16. 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

  17. Spectroscopic characterization of water-soluble cationic porphyrins in sol–gel silica matrices and coatings

    E-Print Network [OSTI]

    Joanna Dargiewicz; Magdalena Makarska

    2001-01-01T23:59:59.000Z

    range up to 10?5 M. The deviation from the linearity of Beer–Lambert law starts with porphyrin concentration about 5×10?6 M. The dimerization constants were estimated. The similar dependence could be observed for the aerogels and the solid thin films. © 2002 Elsevier Science B.V. All rights reserved.

  18. Evaluation of cation-exchanged zeolite adsorbents for post-combustion carbon dioxide capture

    E-Print Network [OSTI]

    under conditions relevant to capture from the dry flue gas stream of a coal-fired power plant. The large in order to make its compression, transport, and injection underground economical. For coal-red power

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

    E-Print Network [OSTI]

    Henkelman, Graeme

    electric vehicles o er not only a distributed energy store, which can make the cost of battery storage more

  20. Can Research on Science Learnin2-and Instruction Inform Standards for Science Ed~cation'.)'~

    E-Print Network [OSTI]

    Boyer, Edmond

    that we believe can mform the reform process. In particular. to reach all science students and also impart;Linn er a:-; A broad xray of organizations are parnciping in an effort to reform science education-based reform with the refoms of the 1 9 6 0 ' ~\\re discuss; (a) science course goals. t b) the social nature

  1. High-Temperature Elasticity, Cation Disorder and Magnetic Transition in Magnesioferrite

    SciTech Connect (OSTI)

    Antao,S.; Jackson, I.; Li, B.; Kung, J.; Chen, J.; Hassan, I.; Liebermann, R.; Parise, J.

    2007-01-01T23:59:59.000Z

    The elastic moduli of magnesioferrite spinel, MgFe2O4, and their temperature dependence have been determined for the first time by ultrasonic measurements on a polycrystalline specimen. The measurements were carried out at 300 MPa and to 700 C in a gas-medium high-pressure apparatus. On heating, both the elastic bulk (K S) and shear (G) moduli decrease linearly to 350 C. By combining with extant thermal-expansion data, the values for the room-temperature K S and G, and their temperature derivatives are as follows: K 0 = 176.3(7) GPa, G 0 = 80.1(2) GPa, ({partial_derivative}K S/{partial_derivative}T) P = -0.032(3) GPa K-1 and ({partial_derivative}G/{partial_derivative}T) P = -0.012(1) GPa K-1. Between 350 and 400 C, there are abrupt increases of 1.4% in both of the elastic moduli; these closely coincide with the magnetic Curie transition that was observed by thermal analyses at about 360 C.

  2. The titanium tris-anilide cation [Ti(N[[superscript t]Bu]Ar)[subscript 3

    E-Print Network [OSTI]

    Spinney, Heather A.

    This work explores the reduction of 4,4?-bipyridine using two equivalents of the titanium(III) complex Ti(N[[superscript t]Bu]Ar)[subscript 3] resulting in formation of a black, crystalline complex, (4,4?-bipy){Ti(N[[superscript ...

  3. 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

    2010-07-13T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Su, Junjie

    2012-02-14T23:59:59.000Z

    reliable subnetwork markers that outperform the gene-based and pathway-based markers in terms of discriminative power, reproducibility and classification performance. The identified subnetwork markers are highly enriched in common GO terms, and they can...

  5. Maximizing gene delivery efficiencies of cationic helical polypeptides via balanced membrane penetration and cellular targeting

    E-Print Network [OSTI]

    Cheng, Jianjun

    /parallel synthesis that creates a large library of materials and allows identification of the best. Gabrielson, Hua Lu, Jianjun Cheng* Department of Materials Science and Engineering, University of Illinois of the gene cargos, it meanwhile causes severe associated cytotoxicities [7e9]. Excessive positive charges can

  6. The cationic amino acid transporter 2 is induced in inflammatory lung models and regulates lung fibrosis

    E-Print Network [OSTI]

    Niese, Kathryn A; Chiaramonte, Monica G; Ellies, Lesley G; Rothenberg, Marc E; Zimmermann, Nives

    2010-01-01T23:59:59.000Z

    acid transporter 2 is induced in inflammatory lung modelsand regulates lung fibrosis Respiratory Research 2010, 11:872 is induced in inflammatory lung models and regulates lung

  7. The role of the cation in antiwear films formed from ZDDP on 52100 Gavin Pereiraa

    E-Print Network [OSTI]

    Gilbert, Pupa Gelsomina De Stasio

    dithiophosphate (ZDDP) has been used in internal combustion engines for at least 60 years, and is added to fully

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

    E-Print Network [OSTI]

    Hudnall, Todd W.

    2010-01-14T23:59:59.000Z

    and my fianc? Erin for their love and patience while I finished my Ph.D. I would like to acknowledge the NSF, the Welch Foundation, the U.S. Army Institute for Chemical Defense for research funding, and the Department of Chemistry and Office...] + . ........................... 123 Table 18: Atom coordinates for the optimized structure of 93-F............................. 124 Table 19: Solvent dependence of the 11 B NMR chemical shift of 97 compared with that of [96...

  9. ELSEVIER Chemical Physics 189 ( 1994) 335-341 Absorption spectra of conjugated hydrocarbon cation chains

    E-Print Network [OSTI]

    Maier, John Paul

    &H: systems (k = 4-16) isolated in neon matrices at 5 K have been measured in the visible and near infrared by waveguide (as displayed) or by a single-reflection Fourier- transform technique. of H

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

    E-Print Network [OSTI]

    Morris, James Larry

    2009-05-15T23:59:59.000Z

    modulation by Ca 2+ or metabolites (Davenport, 2002). In Arabidopsis, approximately 20 GLRs were identified with homology to animal GLRs (Lacombe et al., 2001). The general structure of GLR contains two glutamate binding domains and a PM signal sequence.... There are 3 main groups of GLRs: GLR1, GLR2 and GLR3. Within each of these groups different loci are given different names. For example, previous names like GLR2 and GLR6 are now termed AtGLR3.1 and AtGLR3.5 (Lacombe et al., 2001). This nomenclature...

  11. Analysis of Mixture Models using Expected Posterior Priors, with Application to Classi cation

    E-Print Network [OSTI]

    Berger, Jim

    of Gamma Ray Bursts Jos#19;e M. P#19;erez and James O. Berger #3; Abstract Consider observations when the number of components is un- known. An application is considered involving Gamma Ray Bursts of the number of classes of Gamma Ray Bursts (Meegan et al. , 1995). 1.1 Notation Consider the #12;nite mixture

  12. Millisecond Kinetics of Nanocrystal Cation Exchange Using Microfluidic X-ray Absorption Spectroscopy

    E-Print Network [OSTI]

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

    2007-01-01T23:59:59.000Z

    S. ; Somorjai, G. A. ; Alivisatos, A. P. Science 2004, 304,S. M. ; Yin, Y. D. ; Alivisatos, A. P. Science 2004, 306,Gygi, F. ; Galli, G. A. ; Alivisatos, A. P. J. Phys. Chem. C

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

    E-Print Network [OSTI]

    Luther, Joseph Matthew

    2010-01-01T23:59:59.000Z

    A. , Scher, E.C. & Alivisatos, A.P. Controlled growth ofW.U. , Dittmer, J.J. & Alivisatos, A.P. Hybrid nanorod-U. , Bjork, M.T. & Alivisatos, A.P. Electrical transport

  14. advanced nano-composite cation-exchanger: Topics by E-print Network

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

    19 20 21 22 23 24 25 Next Page Last Page Topic Index 21 Superalloys created by the self-propagating high-temperature synthesis of nano-composite nickel aluminide. Open Access...

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

    E-Print Network [OSTI]

    Dvoracek, Charlene M.

    2010-07-14T23:59:59.000Z

    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...

  16. 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

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

    E-Print Network [OSTI]

    North Texas, University of

    --and a valuable one in all nations--reusage of industrial water and municipal sludges can have a power- ful impact the world the application of synthetic flocculants is accepted for solid­liq- uid separation the polymer flocculant [4­6]. Synthetic polyacrylamides are effective flocculants and easily tailored

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

    SciTech Connect (OSTI)

    Shi, Y.

    1995-06-19T23:59:59.000Z

    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.

  19. acidic cation-exchange resin: Topics by E-print Network

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

    stable thermodynamically and hydration free energies obtained Yu, Fangqun 232 ANTIBODY PURIFICATION USING CAPRYLIC ACID In mildly acidic conditions, the addition of short-chain...

  20. Tuning cationic composition of La:EuTiO{sub 3??} films

    SciTech Connect (OSTI)

    Shkabko, Andrey, E-mail: shkabko@gmail.com [Forschungszentrum Jülich, Peter Grünberg Institut (PGI-7), D-52425 Jülich (Germany); Empa, Solid State Chemistry and Catalysis, CH-8600 Dübendorf (Switzerland); Xu, Chencheng; Meuffels, Paul; Gunkel, Felix; Dittmann, Regina; Waser, Rainer [Forschungszentrum Jülich, Peter Grünberg Institut (PGI-7), D-52425 Jülich (Germany); Weidenkaff, Anke [Empa, Solid State Chemistry and Catalysis, CH-8600 Dübendorf (Switzerland)

    2013-11-01T23:59:59.000Z

    Eu{sub 1?x}La{sub x}TiO{sub 3??} (x = 0, 0.3, 0.5) films were deposited in a p(Ar(96%)/H{sub 2}(4%)) = 4 × 10{sup ?4} mbar atmosphere on (LaAlO{sub 3}){sub 0.3}-(Sr{sub 2}AlTaO{sub 6}){sub 0.7} vicinal substrates (0.1°). Reflection high-energy electron diffraction oscillation characteristics of a layer-by-layer growth mode were observed for stoichiometric and Ti-rich films and the laser fluence suited to deposit stoichiometric films was identified to be 1.25 J/cm{sup 2} independent of the La content. The variety of resulting film compositions follows the general trend of Eu-enrichment for low laser and Ti-enrichment for high laser fluence. X-ray diffraction confirms that all the films are compressively strained with a general trend of an increase of c-axis elongation for non-stoichiometric films. The surfaces of non-stoichiometric films have an increased roughness, the highest sheet resistances, exhibit the presence of islands, and are Eu{sup 3+} rich for films deposited at low laser fluence.

  1. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField8, 2000ConsumptionInnovation Portal Industrial(2) Cu (3)

  2. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C o .Fornl ProjectDeterminatIonCathodeOpen or Closed

  3. Chemical, multi-isotopic (Li-B-Sr-U-H-O) and thermal characterization of Triassic formation waters from the Paris Basin

    E-Print Network [OSTI]

    Boyer, Edmond

    of around 45 to 50°C. The study of uranium activity ratios for these Triassic formation waters allows us with water essentially resulting from a seawater-derived brine endmember diluted by meteoric waters. The data, uranium isotopes, oxygen isotopes, hydrogen isotopes, geothermometry, Trias, Paris Basin 1 hal-00563924

  4. Abstract Titanium is one of many trace elements to substitute for silicon in the mineral quartz. Here, we

    E-Print Network [OSTI]

    Watson, E. Bruce

    Abstract Titanium is one of many trace elements to substitute for silicon in the mineral quartz element--titanium--shows special promise in this regard. Concentrations of Ti in meta- morphic and igneous-006-0132-1 123 ORIGINAL PAPER TitaniQ: a titanium-in-quartz geothermometer David A. Wark Æ E. Bruce Watson

  5. Proceedings World Geothermal Congress 2005 Antalya, Turkey, 24-29 April 2005

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Proceedings World Geothermal Congress 2005 Antalya, Turkey, 24-29 April 2005 1 Geothermal: Martinique, geothermal exploration, thermal springs, soil gas profiles, chemical geothermometers ABSTRACT in starting again geothermal research on the Martinique island, in the Lesser Antilles. The first works, which

  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

    1958-01-01T23:59:59.000Z

    ~ basher~ The egaeea n9tr9c aced. was carefnll j nsutra19eed. . m3;th f9;ltex ' , ed. Xg" I ejnm6n9nm hykvexMe~ leav9ng the se1ntken. ud. 1$1j ac9Me, ' ~she 'beaker was p3. ace@ 9. n an 9. ee bah, '. bring9ns '. the eelu49qn terzperature tb 20 2p Q...9848?? KGB 'GQMBKRARXQS-AK& PGR. 1' k v'MC&M BG~V IM') U' 6'vLET EVE '. , ' Papa f XligRQi3UCPJX9$4" e ''i''" i' e' ' ~ e ~, ''w . ~ '. v ' ~ ' ~ s ' i:ii ' Rheo~-'+ -;~'gjjk4'@09. oy. . @ltgi, 8jrd'iso@. ', :Ging;gidjj 4h'-;~G!9i'gBk '8fd...

  7. 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

    1958-01-01T23:59:59.000Z

    UapARY IL R M COLLEGE QF 'NXAS QUkPgXgATXVQ KVMUA~~XOR QP ~ZQEXgi, i SXBQGBQLPX9g ~+MB% VM PKB&PXMTXQB 0L' 6~'QGP XX QgpVXohs ki , ? ? X~9- ~@ -BX386GM XQ'N OG@QRSPMgXM 489- PQB 8EP~ZXON OP 93GUP XX AN@. QBOQP XXX gAPX~ Subeitte@ to the Gza...'Sf'@&" nial, ". '; . - ' ~, . 'i '-' Ga4%e5. '884'cjoy'e7:g'i '' Gepppg +~eexL$4;, Cvg'egg. , Qat 9:e@-. 't~eg j~tyli6y'. : a4 '%~5'8': Bj ~jjen, " '. , fleXL . Qp@C'83@XagXCXk+ 4 'h. 0' 5 s. I' i. . ; 4;-I '+. 4. ', '+, h, , . . . ' g4 , V, : ' '. Preen...

  8. 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

    1979-01-01T23:59:59.000Z

    of variance for different chemicals on the effects of time, level and time x level interaction on mozphological stability 22 IV 14 C-Histidine uptake by protoplasts incubated under various treatment levels . . . . . . . . . . . . . . . 30 Result... tendency, Spermidine TABLE IV 14 C-Histidine uptake by protoplasts incubated under various treatment levels (cpm/100ul), Mean of 2 observations. Treatment Incubation Time (Hours) 12 18 24 Cadaverine lmM 10mM 20mM 47 50 44 299 709 545 1758...

  9. The interrelations of mineral colloids and sodium chloride as measured by pH, conductivity, and water-soluble cations

    E-Print Network [OSTI]

    Crozier, Baalis B

    1952-01-01T23:59:59.000Z

    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...

  10. 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

    2013-08-14T23:59:59.000Z

    Bentonite clays have long been used as additives in animal feed, aiming to improve pellet quality and prevent caking. Certain bentonites are also capable of deactivating aflatoxin B_(1) (AfB_(1)) in feed by adsorption, therefore, detoxifying...

  11. Identi cation of the donor in GRS 1915+105 J. Greiner and M.J. McCaughrean

    E-Print Network [OSTI]

    Greiner, Jochen

    Universidad de Concepci#19;on, Casilla 160-C Concepcion, Chile Abstract. We report on the results of medium,0) and 13 CO (3,1) transitions, indicating a luminosity class III or brighter (e.g. Wal- lace & Hinkle 1997

  12. 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

    2011-01-01T23:59:59.000Z

    D. Chemical Thermodynamics of Thorium. OECD Nuclear Energyand dioxides from thorium to curium Joaquim Marçalo a,* andmonoxides and dioxides of thorium, protactinium, uranium,

  13. Relating the Expression of Soil Redoximorphic Features to Soil Texture, pH, and Cation Exchange Capacity

    E-Print Network [OSTI]

    Mersmann, Ryan S.

    2010-01-14T23:59:59.000Z

    stereoscopic microscope to observe the complete seal with epoxy. If the seal was not complete (i.e., holes in the epoxy), electrodes were re-sealed and checked again. Each Pt electrode was calibrated in a ferric-ferrous sulfate solution at a redox potential...

  14. Dependence of Electronic Structure of SrRuO3 and the Degree of Correlation on Cation Off-Stoichiometry

    SciTech Connect (OSTI)

    Siemons, W.

    2011-08-19T23:59:59.000Z

    We have grown and studied high quality SrRuO{sub 3} films grown by MBE as well as PLD. By changing the oxygen activity during deposition we were able to make SrRuO{sub 3} samples that were stoichiometric (low oxygen activity) or with ruthenium vacancies (high oxygen activity). Samples with strontium vacancies were found impossible to produce since the ruthenium would precipitate out as RuO{sub 2}. The volume of the unit cell of SrRuO{sub 3} becomes larger as more ruthenium vacancies are introduced. The residual resistivity ratio (RRR) and room temperature resistivity were found to systematically depend on the volume of the unit cell and therefore on the amount of ruthenium vacancies. The RRR varied from {approx}30 for stoichiometric samples to less than two for samples that were very ruthenium poor. The room temperature resistivity varied from 190 {micro}{Omega} cm for stoichoimetric samples to over 300 {micro}{Omega} cm for very ruthenium poor samples. UPS spectra show a shift of weight from the coherent peak to the incoherent peak around the Fermi level when samples have more ruthenium vacancies. Core level XPS spectra of the ruthenium 3d lines show a strong screened part in the case of stoichiometric samples. This screened part disappears when ruthenium vacancies are introduced. Both the UPS and the XPS results are consistent with the view that correlation increases as the amount of ruthenium vacancies increase.

  15. The effects of vibrational mode and collision energy on the reaction of formaldehyde cation with carbonyl sulfide

    E-Print Network [OSTI]

    Anderson, Scott L.

    , producing H2S . Both H2 transfer and H2S channels are strongly inhibited by Ecol and vibrational excitation important exoergic channel is pro- duction of H2S 2 CO referred to as ``H2S '' . Finally, endoergic charge was in a flow tube,5 and only the PT, HPT, and H2S channels were observed. The collision and vibrational energy

  16. Long-term land cover dynamics by multi-temporal classi cation across the Landsat-5 record

    E-Print Network [OSTI]

    Song, Conghe

    to a spatio-temporally distributed reference sam- ple and applied the model to 55 Landsat-5 images covering-term series of Landsat images will provide increasingly robust, reliable records for a growing scienti c user Elsevier Inc. All rights reserved. 1. Introduction The Landsat satellites have imaged Earth's terrestrial

  17. The interrelations of mineral colloids and sodium chloride as measured by pH, conductivity, and water-soluble cations 

    E-Print Network [OSTI]

    Crozier, Baalis B

    1952-01-01T23:59:59.000Z

    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...

  18. CATIONIC SHELL CROSSLINKED NANOPARTICLES AS INTRACELLULAR DELIVERY VEHICLES FOR THE DIAGNOSIS AND TREATMENT OF ACUTE LUNG INJURY

    E-Print Network [OSTI]

    Florez, Stephanie

    2011-08-08T23:59:59.000Z

    Nanomedicine is a growing field of medicine that seeks to take advantage of nanoscale materials in order to address current challenges such as the ability to cross the epithelial mucus of the lungs to deliver treatment. This thesis focuses...

  19. Revisiting the localization of Zn2+ cations sorbed on pathological apatite calcifications made through X-ray absorption spectroscopy

    E-Print Network [OSTI]

    Bazin, D.

    2010-01-01T23:59:59.000Z

    bones Accepted in Osteoporosis International F. E. Sowrey,to characterise bones Osteoporosis International, in press.such as arthrosis or osteoporosis [3]. Of note, among the

  20. Classi cation of invariant solutions of the full Boltzmann Yu.N.Grigoryev y , S.V.Meleshko z

    E-Print Network [OSTI]

    Meleshko, Sergey V.

    known BKW{solution of the spatially homogeneous Boltzmann equation was found by this way. The approach

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

    E-Print Network [OSTI]

    Sancho, Javier

    Bioquímica y Biología Molecular y Celular, Facultad de Ciencias, Universidad de Zaragoza, Spain 2 Department Bioquímica y Biología Molecular y Celular, Facultad de Ciencias, Universidad de Zaragoza, 50009 Zaragoza

  2. CATIONIC SHELL CROSSLINKED NANOPARTICLES AS INTRACELLULAR DELIVERY VEHICLES FOR THE DIAGNOSIS AND TREATMENT OF ACUTE LUNG INJURY 

    E-Print Network [OSTI]

    Florez, Stephanie

    2011-08-08T23:59:59.000Z

    nanoparticles are spherical in their morphology and their synthesis allows for them to possess tunable functionalities, size, and physical properties. The research presented in this work includes the synthesis of amphiphilic block copolymers that exhibit...

  3. Search for variation of fundamental constants: Strong enhancements in $X^2\\Pi$ cations of dihalogens and hydrogen halides

    E-Print Network [OSTI]

    Pasteka, L F; Flambaum, V V; Schwerdtfeger, P

    2015-01-01T23:59:59.000Z

    We propose to use diatomic molecular ions to search for strongly enhanced effects of variation of fundamental constants. The relative enhancement occurs in transitions between nearly degenerate levels of different nature. Since the trapping techniques for molecular ions have already been developed, the molecules HBr$^+$, HI$^+$, Br$^+_2$, I$^+_2$, IBr$^+$, ICl$^+$, and IF$^+$ are very promising candidates for such future studies.

  4. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearchSOLICITATIONIMODI FICATION OF CONTRACT 1 OTATI OEP AE 2..CNRC 3DCDE PAGESOLIr

  5. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA Approved: 5-13-14Russianvolunteer | National011-03-2010 1 PAGE 1 PageMI54 I(

  6. The Preston Geothermal Resources; Renewed Interest in a Known Geothermal Resource Area

    SciTech Connect (OSTI)

    Thomas R Wood; Wade Worthing; Cody Cannon; Carl Palmer; Ghanashyam Neupane; Travis L McLing; Earl Mattson; Patric Dobson; Mark Conrad

    2015-01-01T23:59:59.000Z

    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.

  7. Thermal extraction analysis of five Los Azufres production wells

    SciTech Connect (OSTI)

    Kruger, Paul; Quijano, Luis

    1995-01-26T23:59:59.000Z

    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.

  8. Computer Modeling Illuminates Degradation Pathways of

    E-Print Network [OSTI]

    Computer Modeling Illuminates Degradation Pathways of Cations in Alkaline Membrane Fuel Cells Cation degradation insights obtained by computational modeling could result in better performance are effective in increasing cation stability. With the help of computational modeling, more cations are being

  9. Animal Ca2+ release-activated Ca2+ (CRAC) channels appear to be homologous to and derived from the ubiquitous cation diffusion facilitators

    E-Print Network [OSTI]

    Matias, Madeleine G; Gomolplitinant, Kenny M; Tamang, Dorjee G; Saier, Milton H

    2010-01-01T23:59:59.000Z

    MH Jr: The bile/ arsenite/riboflavin transporter (BART)the Bile acid/Arsenite/Riboflavin Transporter (BART) Super-

  10. Photodegradation of oligomeric polyesters containing anthraquinone and 1,2-diamine units. Single electron transfer induced cation radical bond cleavage in the solid state

    SciTech Connect (OSTI)

    Leon, J.W.; Whitten, D.G. (Univ. of Rochester, NY (United States))

    1995-03-01T23:59:59.000Z

    Oligomeric polyesters containing light-absorbing anthraquinone electron acceptor chromophores and fragmentable 1,2-diamine donors have been synthesized. Irradiation with [lambda] [ge] 340 nm in solution or as solid films results in photooxidative C-C bond cleavage of the 1,2-diamine units yielding essentially the same products in either case. The solid state photodegradation reaction was monitored using size exclusion chromatography and was found to be substantially less efficient than the corresponding solution reaction. This is attributed to an inefficient forward electron transfer step and the possibility of an induced reversibility of the fragmentation. The efficiency of photodegradation is suggested to be dependent on the donor/acceptor orientations in the solid state. 49 refs., 11 figs., 1 tab.

  11. auguST 2011 | vol. 54 | no. 8 | CommuniCations of the aCm 111 Doi:10.1145/1978542.1978564

    E-Print Network [OSTI]

    Hunt, Galen

    to sacrifice the benefits of small size and mobility. In response, designers have walked a fine line, trying

  12. 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

    lead, in turn, to cracking side reactions and fast deactivation, especially for larger alkanes. Pt and selectivities were measured at 673 and 723 K at ambient pressure using a tubular flow reactor with plug concentrations were measured by gas chromatography (HP 5890 II). n-Pentane and n-heptane reactants were

  13. 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

    2012-03-01T23:59:59.000Z

    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

  14. 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

    1 and J.S. Drilling 2 1 Armagh Observatory, College Hill, Armagh BT61 9DG, N. Ireland 2 Dept@arm.ac.uk, drilling@rouge.phys.lsu.edu Abstract We apply a multilayer feed-forward back propagation arti#12;cial neural network to a sample of 380 subdwarf spectra classi#12;ed by Drilling et al. (2002), showing

  15. 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.

    2015-05-09T23:59:59.000Z

    gradient of 19 0.05 kcal/mol and a maximum of 100 cycles of iteration. Partial charges were computed based on the 20 Gasteiger-Hückel charge method. 21 TLR4 and MD-2 templates. The molecular structures of the extracellular region of human TLR4 on its 22... conserved domain involved in innate immunity and lipid 1 metabolism. Trends Biochem. Sci. 27: 219-221. doi: 10.1016/S0968-0004(02)02084-4 2 33. Dundas,J, Ouyang,Z, Tseng,J, Binkowski,A, Turpaz,Y, Liang,J (2006). CASTp: computed 3 atlas of surface...

  16. 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

  17. 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

    2001-01-01T23:59:59.000Z

    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 (

  18. Electrochemistry and photocurrents of the tris(bipyridine)ruthenium(II) and methyl viologen cations immobilized in carrageenan hydrogel. [tris(2,2'-bipyridine)ruthenium(II)

    SciTech Connect (OSTI)

    Rillema, D.P.; Edwards, A.K. (Univ., of North Carolina, Charlotte (United States)); Perine, S.C.; Crumbliss, A.L. (Duke Univ., Durham, NC (United States))

    1991-11-13T23:59:59.000Z

    A procedure for immobilization of both a photochromophore, tris(2,2{prime}-bipyridine)ruthenium(II) (Ru(bpy){sub 3}{sup 2+}), and a quencher, methyl viologen (MV{sup 2+}), within a carrageenan hydrogel matrix at an electrode surface is described. Ru(bpy){sub 3}{sup 2+} and MV{sup 2+} exhibited diffusion coefficients that ranged from 10{sup {minus} 7} to 10{sup {minus} 6} cm{sup 2}/s in the hydrogel, which represents an improvement over other immobilization matrices. Photolysis of the resulting hydrogel surface modified electrodes gave rise to a significant photocurrent which depended on the concentrations of Ru(bpy){sub 3}{sup 2+}, MV{sup 2+}, and triethanolamine and resulted in a maximum value of 12 {mu}A/cm{sup 2} after the hydrogel was cured with a solution containing 5 mM Ru(bpy){sub 3}{sup 2+} and 50 mM MV{sup 2+}. The photocurrent was the result of reoxidation of MV{sup +} at the electrode surface following reduction of MV{sup 2+} by photoexcited Ru(bpy){sub 3}{sup 2+}. The quenching rate constant of Ru(bpy){sub 3}{sup 2+} by MV{sup 2+} in the hydrogel was 4.2 {times} 10{sup 8} M{sup {minus}1} s{sup {minus}1}. The photocurrent action spectrum was consistent with Ru(bpy){sub 3}{sup 2+} acting as the photochromophore. Offsetting the potential of the hydrogel electrode verified the role of the MV{sup 2+}/{sup +} redox couple as the source of the current.

  19. Pysico-chemical properties of hydrophobic ionic liquids containing 1-octylpyridinium, 1-octyl-2-methylpyridinium or 1-octyl-4-methylpyridinium cations

    E-Print Network [OSTI]

    Papaiconomou, Nicolas; Salminen, Justin; Lee, Jong-Min; Prausnitz, John M.

    2006-01-01T23:59:59.000Z

    P. A. Z. Ionic liquid (molten salt) phase organometallicambient-temperature molten salts. Inorg. Chem. 1996, 35,are room-temperature molten salts with melting points near

  20. Formation of anions and cations via a binary-encounter process in OH$^+$ + Ar collisions: the role of dissociative excitation and statistical aspects

    E-Print Network [OSTI]

    Lattouf, E; Chesnel, J -Y; Kovács, S T S; Bene, E; Herczku, P; Huber, B A; Méry, A; Poully, J -C; Rangama, J; Sulik, B

    2015-01-01T23:59:59.000Z

    Molecular fragmentation leading to the formation of negatively and positively charged hydrogen ions in 7-keV OH$^+$ + Ar collisions is investigated experimentally. The most striking finding is that negative and positive hydrogen ions are emitted with very similar angular dependences. Also, the kinetic energy distribution of the H$^+$ fragment shows strong similarities with that of the ejected H$^-$ ion. The kinematics of the emitted H core is found to be essentially driven by its scattering on the atomic target. However, in addition to this binary-encounter process, dissociative electronic excitation of the molecular projectile has to be invoked to explain the observed fragmentation patterns. Though the electron capture process is complex, it is shown that the relative population of the different final charge states of the outgoing fragments can be described by simple statistical laws.

  1. UCOWRJournal of Contemporary Water researCh & eduCation Universities CoUnCil on Water resoUrCes

    E-Print Network [OSTI]

    Pasternack, Gregory B.

    of flooding and cost of protection. van Dantzig's 1956 paper described this risk-based calculation. HeUrnal of Contemporary Water researCh & edUCation issUe 141, pages 1-16, marCh 2009 Dutch Flood Policy Innovations of California - Davis F lood risk management is an important part of life in the Netherlands. The Netherlands

  2. 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

    2010-04-27T23:59:59.000Z

    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.

  3. 60 CommuniCations oF the aCm | APRIL 2011 | vOL. 54 | nO. 4 contributed articles

    E-Print Network [OSTI]

    O'Brien, James F.

    , we can use procedural techniques and/or energy optimization to build automated visualization. Such visualizations help analysts quickly find patterns lurking within large data sets and help audiences quickly understand complex ideas. Over the past two decades a number of books10,15,18,23 have collected examples

  4. [10] For a discussion of radical-radical couplings and radical cation electro-philic substitution pertinent to thiophene polymerizations, see: Y. Wei,

    E-Print Network [OSTI]

    Ludwig-Maximilians-Universität, München

    , even vacuum tubes in monitors and television sets might soon be outperformed by field-emission devices in flat panel displays, which are also seen as the most promising challenge to liquid crystal displays is silicon-on-insulator (SOI). The SOI wafers are highly n-doped by phosphorus diffusion from a solid dopant

  5. 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]

    To appear in Proceedings, International Symposium on Requirements Engineering, York, England, March . Designed originally for use by engineers, the SCR method has been successfully applied to a variety ; a submarine communications system 12 ; and safety- critical components of two nuclear power plants

  6. 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

    2012-03-01T23:59:59.000Z

    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.

  7. 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.

    2015-05-01T23:59:59.000Z

    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

  8. Pysico-chemical properties of hydrophobic ionic liquids containing 1-octylpyridinium, 1-octyl-2-methylpyridinium or 1-octyl-4-methylpyridinium cations

    E-Print Network [OSTI]

    Papaiconomou, Nicolas; Salminen, Justin; Lee, Jong-Min; Prausnitz, John M.

    2006-01-01T23:59:59.000Z

    respectively, in acetonitrile at 70 °C. All syntheses werepurity), and 50 mL acetonitrile. After cooling to room98 % purity), and 25 mL acetonitrile. After cooling to room

  9. Formation and Characterization of Acetonitrile N-Methylide [CH3CNCH2]+ and N-Methylketenimine [CH3NCCH2]+ Radical Cations in the Gas Phase

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    Formation and Characterization of Acetonitrile N-Methylide [CH3CNCH2]·+ and N-Methylketenimine [CH3 Palaiseau Cedex, France ReceiVed: July 24, 1997; In Final Form: NoVember 4, 1997 Acetonitrile N by ion-molecule reactions between ionized cyclobutanone or ionized ketene and acetonitrile or methyl

  10. Aqueous Transition Metal Cations as Impurities in a Wide Gap Oxide: The Cu^2+/Cu^1+ and Ag^2+/Ag^1+ Redox Couples Revisited

    E-Print Network [OSTI]

    Liu, Xiandong; Cheng, Jun; Sprik, Michiel

    2014-11-11T23:59:59.000Z

    of 10ps. The longitudinal relaxation is more than a magnitude faster. Results and analysis Gas-phase Table 1 lists the calculated M-O bond lengths in the four gas-phase complexes we have investigated (see fig. 1). One can see that for the same number... containing a fraction of Hartree-Fock exchange. These calculations make use of recent progress in DFTMD technology enabling us to include sp core polarization and Hartree-Fock exchange in condensed phase model systems. Keywords Aqueous redox chemistry...

  11. Involution: The Formal Theory of Differential Equations and its Appli-cations in Computer Algebra. By Werner M. Seiler. Springer-Verlag, Berlin

    E-Print Network [OSTI]

    Hereman, Willy A.M.

    into triangular form by Gauss elimination. That pro- cess eliminates redundant equations and reveals inconsistent of Gauss elimination and the completion process are similar: The completion of a system of PDEs will reveal for such a system, it needs to be brought into a canonical form (called the involutive or passive form). Roughly

  12. Implications of thermal events on thrust emplacement sequence in the Appalachian fold and thrust belt: Some new vitrinite reflectance data

    SciTech Connect (OSTI)

    Lewis, S.E.; Hower, J.C. (Montana Tech, Butte (USA))

    1990-11-01T23:59:59.000Z

    Interpretation of existing geothermometry data combined with new vitrinite reflectance data, within the framework of a detailed composite tectonic setting, elucidates the evolution of structural sequencing of thrust sheets during the Alleghanian event in the Valley and Ridge Province in Virginia. That the Pulaski thrust sheet preceded the Saltville thrust sheet in the emplacement sequence, and that both reached thermal maxima prior to, or during, respective emplacement may be inferred from vitrinite and other geothermometry data. In contrast, the Narrows and St. Clair thrust sheets probably each attained their thermal maximum after emplacement. New vitrinite reflectance data are consistent with CAI and other temperature-sensitive information heretofore ascertained in the Valley and Ridge Province and support previously established maximum temperatures of ca. 200C for strata of the Saltville thrust sheet as young as Mississippian. R{sub max} values from Mississippian coals in the Price Formation of the Saltville sheet, beneath but near the Pulaski thrust, range from 1.61% to 2.60%. At the structural front of the fold and thrust belt, a single Mississippian coal sample from the Bluefield Formation yields an R{sub max} value of 1.35%. Those coals showing highest R{sub max} values are more intensely fractured with secondary minerals filling the fractures. Warm fluids introduced during tectonic events may have played at least as important a role as that of combined stratigraphic and tectonic burial.

  13. Geothermal potential of West-Central New Mexico from geochemical and thermal gradient data

    SciTech Connect (OSTI)

    Levitte, D.; Gambill, D.T.

    1980-11-01T23:59:59.000Z

    To study the low temperature and Hot Dry Rock (HDR) geothermal potential of west-central New Mexico, 46 water samples were collected and geothermal gradient measurements were made in 29 wells. Water chemistry data indicate that all the samples collected are meteoric waters. High temperatures of samples taken from wells between Gallup and Tohatchi indicate these wells may derive water from a warm aquifer below the depth of the wells. The chemistries of the samples farther south on the Zuni Indian reservation suggest these waters are not circulating below 600 m of the surface. Geothermometry calculations support the conclusion that the waters sampled are meteoric. The geothermometry also indicates that the deep reservoir between Gallup and Tohatchi may be greater than 60/sup 0/C. Thermal gradient data indicate an area of high gradient on the Zuni Indian Reservation with a measured maximum of 67/sup 0/C/km between 181 m and 284 m. This high probably is not hydrologically controlled. The maximum gradients in the study area are 76/sup 0/C/km and 138/sup 0/C/km, measured just east of Springerville, Arizona. These gradients are undoubtedly controlled by circulating water, possibly heated by a magmatic source at depth and circulating back to the surface.

  14. 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.

    1981-12-01T23:59:59.000Z

    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.

  15. Pulsed discharge nozzle cavity ringdown spectroscopy of cold polycyclic aromatic hydrocarbon ions

    E-Print Network [OSTI]

    absorption spectra of the naphthalene (C10H8 ) and acenaphthene (C12H10) cations have been measured cation along with the gas-phase vibronic absorption spectrum of the cold acenaphthene cation are reported

  16. Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl...

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

    Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation. Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation. Abstract: Molecular simulation techniques...

  17. Ways of Knowing and Inclusive Management Practices

    E-Print Network [OSTI]

    Feldman, Martha S; Khademian, Anne M; Ingram, Helen; Schneider, Anne S

    2006-01-01T23:59:59.000Z

    plant diversi? cation and composting. Certi? cation stance,farmers’ practice of composting, which the regulationsbuilding blocks, research composting processes, such as

  18. Debt financing and the dynamics of agency costs

    E-Print Network [OSTI]

    Cao, Bolong

    2006-01-01T23:59:59.000Z

    III.B.3 Econometric Speci?cation . . . . . . . . . . III.Cand Cointegration,” Econometric Theory, 21(4), 795–837. Bvariable construction and econometric speci?cation. Section

  19. 9519 biotite granodiorite reacted in a temperature gradient

    SciTech Connect (OSTI)

    Charles, R.W.; Bayhurst, G.K.

    1980-10-01T23:59:59.000Z

    A biotite granodiorite from the Fenton Hill Hot Dry Rock (HDR) geothermal system was reacted in a controlled temperature gradient with initially distilled water for 60d. Polished rock prisms were located in the gradient at 72, 119, 161, 209, 270, and 310/sup 0/C. Scanning electron microscope and microprobe analyses show the appearance of secondary phases: Ca-montmorillonite at 72/sup 0/C and 119/sup 0/C; zeolite, either stilbite or heulandite, at 161/sup 0/C; and another zeolite, thomsonite, at higher temperatures. Solution analyses show a steady state equilibrium exists between solution and overgrowths after about 2 weeks of reaction. The chemographic relations for the system are explored in some detail indicating the divariant assemblages may be placed in a reasonable sequence in intensive variable space. These relations predict high and low temperature effects not directly observed experimentally as well as relevant univariant equilibria. Solution chemistry indicates the Na-Ca-K geothermometer more adequately predicts temperature in this system than does the silica geothermometer.

  20. Influence of the Electron-Cation Interaction on Electron Mobility in Dye-Sensitized ZnO and TiO2 Nanocrystals: A Study Using Ultrafast Terahertz Spectroscopy

    E-Print Network [OSTI]

    KuÂ?el, Petr

    understood key processes in dye-sensitized solar cells. We have employed time-resolved spectroscopies by electrical techniques. The operation of a dye-sensitized solar cell relies on the efficient electron are not necessarily connected, and that charge transport in the sensitized solar cell material can differ from

  1. Distribution of cations in wurtzitic InxGa1-xN and InxAl1-xN alloys: Consequences for energetics and quasiparticle electronic structures

    SciTech Connect (OSTI)

    de Carvalho, Luiz Cláudio; Schleife, André; Furthmüller, Jürgen; Bechstedt, Friedhelm

    2012-03-01T23:59:59.000Z

    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.

  2. Isomerization of Acetonitrile N-Methylide [CH3CNCH2]+ and N-Methylketenimine [CH3NCCH2]+ Radical Cations in the Gas Phase: Theoretical Study of the [C3,H5,N]+

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    Isomerization of Acetonitrile N-Methylide [CH3CNCH2]·+ and N-Methylketenimine [CH3NCCH2]·+ Radical(d,p) basis set show that acetonitrile N-methylide [CH3CNCH2]·+, a·+, and N-methylketenimine [CH3NCCH2]·+, b with acetonitrile and methyl isocyanide to generate acetonitrile N-methylide [CH3-CtN-CH2]·+, a·+, and N

  3. 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.

    1981-09-01T23:59:59.000Z

    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.

  4. 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

  5. Assessment of Potential Aquatic Herbicide Impacts to California Aquatic Ecosystems

    E-Print Network [OSTI]

    association with herbicide appli- cations. Applications of acrolein, copper sulfate, chelated copper, diquat

  6. ENERGY & ENVIRONMENT DIVISION ANNUAL REPORT 1979

    E-Print Network [OSTI]

    Cairns, E.J.

    2010-01-01T23:59:59.000Z

    photovoltaic appli- cations and their unique properties as amorphous materials. The amorphous silicon hydrogen

  7. Effects of Temporal Wind Patterns on the Value of Wind-Generated Electricity in California and the Northwest

    E-Print Network [OSTI]

    Wiser, Ryan H

    2008-01-01T23:59:59.000Z

    Laboratory, private communi- cation, March 12, 2004. WECC, "WECC 2006 Power Supply Assessment," Western Electricity

  8. Fall 2010/Spring 2011 Reaching Out to Overseas

    E-Print Network [OSTI]

    Suzuki, Masatsugu

    global edu- cational experience" and "fostering an inclusive campus community that infuses all aspects

  9. An evaluation of the geothermal potential of the Tecuamburro Volcano area of Guatemala

    SciTech Connect (OSTI)

    Heiken, G.; Duffield, W. (eds.)

    1990-09-01T23:59:59.000Z

    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.

  10. Gas Geochemistry of the Dogger Geothermal Aquifer (Paris Basin, France)

    SciTech Connect (OSTI)

    Criaud, A.; Fouillac, C.; Marty, B.; Brach, M.; Wei, H.F.

    1987-01-20T23:59:59.000Z

    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.

  11. Colorado's hydrothermal resource base: an assessment

    SciTech Connect (OSTI)

    Pearl, R.H.

    1981-01-01T23:59:59.000Z

    As part of its effort to more accurately describe the nations geothrmal resource potential, the US Department of Energy/Division of Geothermal Energy contracted with the Colorado Geological survey to appraise the hydrothermal (hot water) geothermal resources of Colorado. Part of this effort required that the amount of energy that could possibly be contained in the various hydrothermal systems in Colorado be estimated. The findings of that assessment are presented. To make these estimates the geothermometer reservoir temperatures estimated by Barrett and Pearl (1978) were used. In addition, the possible reservoir size and extent were estimated and used. This assessment shows that the total energy content of the thermal systems in Colorado could range from 4.872 x 10{sup 15} BTU's to 13.2386 x 10{sup 15} BTU's.

  12. Temperatures, heat flow, and water chemistry from drill holes in the Raft River geothermal system, Cassia County, Idaho

    SciTech Connect (OSTI)

    Nathenson, M.; Urban, T.C.; Diment, W.H.; Nehring, N.L.

    1980-01-01T23:59:59.000Z

    The Raft River area of Idaho contains a geothermal system of intermediate temperatures (approx. = 150/sup 0/C) at depths of about 1.5 km. Outside of the geothermal area, temperature measurements in three intermediate-depth drill holes (200 to 400 m) and one deep well (1500 m) indicate that the regional conductive heat flow is about 2.5 ..mu..cal/cm/sup 2/ sec or slightly higher and that temperature gradients range from 50/sup 0/ to 60/sup 0/C/km in the sediments, tuffs, and volcanic debris that fill the valley. Within and close to the geothermal system, temperature gradients in intermediate-depth drill holes (100 to 350 m) range from 120/sup 0/ to more than 600/sup 0/C/km, the latter value found close to an artesian hot well that was once a hot spring. Temperatures measured in three deep wells (1 to 2 km) within the geothermal area indicate that two wells are in or near an active upflow zone, whereas one well shows a temperature reversal. Assuming that the upflow is fault controlled, the flow is estimated to be 6 liter/sec per kilometer of fault length. From shut-in pressure data and the estimated flow, the permeability times thickness of the fault is calculated to be 2.4 darcy m. Chemical analyses of water samples from old flowing wells, recently completed intermediate-depth drill holes, and deep wells show a confused pattern. Geothermometer temperatures of shallow samples suggest significant re-equilibration at temperatures below those found in the deep wells. Silica geothermometer temperatures of water samples from the deep wells are in reasonable agreement with measured temperatures, whereas Na-K-Ca temperatures are significantly higher than measured temperatures. The chemical characteristics of the water, as indicated by chloride concentration, are extremely variable in shallow and deep samples. Chloride concentrations of the deep samples range from 580 to 2200 mg/kg.

  13. The role of biomass in California's hydrogen economy

    E-Print Network [OSTI]

    Parker, Nathan C; Ogden, Joan; Fan, Yueyue

    2009-01-01T23:59:59.000Z

    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

  14. Anisotropic Structure and Transport in Self-Assembled Layered Polymer-Clay Nanocomposites

    E-Print Network [OSTI]

    Sadoway, Donald Robert

    and electrostatic interactions. The films were characterized using ellipsometry, profilometry, X-ray photon associates with alkali cations through ion-dipole interactions, and cation mobility is influenced by local montmorillonite alone. Adding a lithium saltsuchaslithiumperchloratecanimprovetheroom-temperature conductivity

  15. X-ray Absorption Spectroscopy of Biologically Relevant Systems

    E-Print Network [OSTI]

    Uejio, Janel Sunayo

    2010-01-01T23:59:59.000Z

    of the interaction of the carboxylate with lithium; this isinteractions of carboxylate with the monovalent cations lithium,lithium acetate revealing distinct shifts between the cations, indicative of preferential interactions.

  16. Synthesis and Characterization of Novel Pincer Ligands and Triarylaminium Oxidants

    E-Print Network [OSTI]

    Davidson, Jillian Jordan

    2014-12-15T23:59:59.000Z

    . .............................................................................................. 28 Figure 2.2 Selected orbital depictions of the hexamethylbenzene radical cation. C(Ar)?C(Ar) bond lengths for hexamethylbenzene and hexamethylbenzene radical cation are also shown. .......................................... 46 Figure 2.3 POV...

  17. The economics of real estate brokerage and contracts

    E-Print Network [OSTI]

    Wignall, Christopher David

    2009-01-01T23:59:59.000Z

    from data limitaions and econometric speci?cation errors ofData limitations and econometric speci?cation issues inHsieh and Moretti’s econometric model su?ers from severe

  18. Tuning the magnetic properties of prussian blue analogues: size control and the effects of external stimuli 

    E-Print Network [OSTI]

    Egan, Lindsay

    2009-01-01T23:59:59.000Z

    The hetero-bimetallic mixed valence metal polycyanides (Prussian Blue analogues (PBAs)) with formula AxMII[M’III(CN)6]y (where A= alkali-metal cation and M, M’= transition-metal cations respectively) are archetypal ...

  19. 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)

    2000-01-01T23:59:59.000Z

    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.

  20. Proximate Sensing: Geographic Knowledge Discovery in On-line Photo Collections

    E-Print Network [OSTI]

    Leung, Chi Yan

    2013-01-01T23:59:59.000Z

    of developed to total land cover for each of the tiles. (b)classi?cation map with tiles labeled as developed (white) ortotal number of images per tile. (b) Binary classi?cation