National Library of Energy BETA

Sample records for uff bu rly

  1. NREL: Biomass Research - Lintao Bu

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

    Lintao Bu Photo of Lintao Bu Lintao Bu is a staff scientist at the National Renewable Energy Laboratory's National Bioenergy Center. Education Ph.D., Computational Chemistry, Boston University, 1999-2004 M.S., Physical Chemistry, Peking University, 1996-1999 B.S., Chemistry, Peking University, 1991-1996 Professional Experience Research Scientist, National Renewable Energy Laboratory, National Bioenergy Center, Golden, CO, 2008-present Postdoctoral Researcher, National Renewable Energy

  2. RfpA, RfpB, and RfpC are the master control elements of far-red light photoacclimation (FaRLiP)

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

    Zhao, Chi; Gan, Fei; Shen, Gaozhong; Bryant, Donald A.

    2015-11-25

    Terrestrial cyanobacteria often occur in niches tha tare strongly enriched in far-redlight (FRL; λ > 700nm). Some cyanobacteria exhibit a complex and extensive photoacclimation response, known as FRLphotoacclimation(FaRLiP).During the FaRLiP response, specialized paralogous proteins replace 17 core subunits of the three major photosynthetic complexes: Photosystem (PS)I, PSII,and the phycobilisome. Additionally, the cells synthesize both chlorophyll (Chl) f and Chl d.Using biparental mating from Escherichia coli, we constructed null mutants of three genes, rfpA, rfpB,and rfpC, in the cyanobacteria Chlorogloeopsis fritschii PCC 9212 and Chroococcidiopsis thermalis PCC 7203.The resulting mutants were no longer able to modify their photosynthetic apparatus to absorbmore » FRL, were no longer able to synthesize Chl f, in appropriately synthesized Chl d in white light,and were unable to transcribe genes of the FaRLiP gene cluster. We conclude that RfpA, RfpB, and RfpC constitute a FRL-activated signal transduction cascade that is the master control switch for the FaRLiP response. FRL is proposed to activate (or inactivate) the histidine kinase activity of RfpA, which leads to formation of the active state of RfpB, the key response regulator and transcription activator. RfpC may act as a phosphate shuttle between RfpA and RfpB. Our results show that reverse genetics via conjugation will be a powerful approach in detailed studies of the FaRLiP response.« less

  3. Haskel/BuTech/PPI | Department of Energy

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

    Haskel/BuTech/PPI Haskel/BuTech/PPI This presentation was given at the DOE Hydrogen Compression, Storage, and Dispensing Workshop in March 2013. PDF icon csd_workshop_5_walti.pdf More Documents & Publications DOE-HDBK-1018/2-93 Improving Compressed Air System Performance: A Sourcebook for Industry BNL Compressed Natural Gas Release Investigation

  4. GLADY CASSIT Y VANDALIA MURPHY CR EEK BU CKHN-CENT URY CLAY

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

    GLADY CASSIT Y VANDALIA MURPHY CR EEK BU CKHN-CENT URY CLAY GLENVILLE N MINNORA JARVISVILLE FAR MINGTON PH ILIPPI BELIN GT ON WAYN ESBUR G PR UNT Y GLENVILLE S CAVE RUN TAYLOR DRAIN ROSEDALE ST MPT-N RMNT-SHK WESTON-JAN E LEW SWN DL-WID EN VADIS STANL EY DEKALB UNION TALLM AN SVILL E ASPINALL-FIN ST ER ZOLLARSVILLE WILBU R RAMSEY HEATER S BR IDGEPORT-PRUNT YTOWN ALEXAND ER LILLY FORK SH ERMAN HIRAM ST FK-BLST N CK BU RNS CH APEL S BR WN -LUM BER PORT CON INGS PR ATT BOSWELL REVEL ELK C REEK

  5. BuD, a helixloophelix DNA-binding domain for genome modification

    SciTech Connect (OSTI)

    Stella, Stefano; Molina, Rafael; Lpez-Mndez, Blanca; Juillerat, Alexandre; Bertonati, Claudia; Daboussi, Fayza; Campos-Olivas, Ramon; Duchateau, Phillippe; Montoya, Guillermo

    2014-07-01

    Crystal structures of BurrH and the BurrHDNA complex are reported. DNA editing offers new possibilities in synthetic biology and biomedicine for modulation or modification of cellular functions to organisms. However, inaccuracy in this process may lead to genome damage. To address this important problem, a strategy allowing specific gene modification has been achieved through the addition, removal or exchange of DNA sequences using customized proteins and the endogenous DNA-repair machinery. Therefore, the engineering of specific proteinDNA interactions in protein scaffolds is key to providing toolkits for precise genome modification or regulation of gene expression. In a search for putative DNA-binding domains, BurrH, a protein that recognizes a 19 bp DNA target, was identified. Here, its apo and DNA-bound crystal structures are reported, revealing a central region containing 19 repeats of a helixloophelix modular domain (BurrH domain; BuD), which identifies the DNA target by a single residue-to-nucleotide code, thus facilitating its redesign for gene targeting. New DNA-binding specificities have been engineered in this template, showing that BuD-derived nucleases (BuDNs) induce high levels of gene targeting in a locus of the human haemoglobin ? (HBB) gene close to mutations responsible for sickle-cell anaemia. Hence, the unique combination of high efficiency and specificity of the BuD arrays can push forward diverse genome-modification approaches for cell or organism redesign, opening new avenues for gene editing.

  6. B.U. Students Talk Energy Research at Lost Dog Cafe > Archived News Stories

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

    > The Energy Materials Center at Cornell Archived News Stories Latest News The perfect atom sandwich requires an extra layer › Cornell boasts 22 'highly cited' researchers › Postdoc brings open access issue to the table › In This Section EMC2 News Archived News Stories B.U. Students Talk Energy Research at Lost Dog Cafe April 10th, 2014 › There was a science café at the Lost Dog Cafe in Binghamton last night. A group of Binghamton University students and professors talked about

  7. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

    Gasoline and Diesel Fuel Update (EIA)

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Basin Outline ID The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural

  8. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

    Gasoline and Diesel Fuel Update (EIA)

    Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Basin Outline ID The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface

  9. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

    Gasoline and Diesel Fuel Update (EIA)

    Liquids Reserve Class No 2001 liquids reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl 10,000.1 - 100,000 Mbbl Basin Outline ID The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural

  10. DOE Hydrogen and Fuel Cells Program Record #13007: Industry Deployed Fuel Cell Backup Power (BuP)

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

    7 Date: 09/05/2013 Title: Industry Deployed Fuel Cell Backup Power (BuP) Originators: Pete Devlin, Jim Alkire, Sara Dillich, Dimitrios Papageorgopoulos Approved by: Rick Farmer and Sunita Satyapal Date: 09/09/13 Item: Table 1: Number of fuel cells deployments (current and planned) for applications in backup power. The funding of 903 Department of Energy (DOE) fuel cell backup power systems has led to over 3,500 industry installations and on-order backup power units with no DOE funding.

  11. Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

    SciTech Connect (OSTI)

    Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C.

    2015-04-15

    Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the nanostructure problem. Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than in the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.

  12. Pressure Build-Up During the Fire Test in Type B(U) Packages Containing Water - 13280

    SciTech Connect (OSTI)

    Feldkamp, Martin; Nehrig, Marko; Bletzer, Claus; Wille, Frank

    2013-07-01

    The safety assessment of packages for the transport of radioactive materials with content containing liquids requires special consideration. The main focus is on water as supplementary liquid content in Type B(U) packages. A typical content of a Type B(U) package is ion exchange resin, waste of a nuclear power plant, which is not dried, normally only drained. Besides the saturated ion exchange resin, a small amount of free water can be included in these contents. Compared to the safety assessment of packages with dry content, attention must be paid to some more specific issues. An overview of these issues is provided. The physical and chemical compatibility of the content itself and the content compatibility with the packages materials must be demonstrated for the assessment. Regarding the mechanical resistance the package has to withstand the forces resulting from the freezing liquid. The most interesting point, however, is the pressure build-up inside the package due to vaporization. This could for example be caused by radiolysis of the liquid and must be taken into account for the storage period. If the package is stressed by the total inner pressure, this pressure leads to mechanical loads to the package body, the lid and the lid bolts. Thus, the pressure is the driving force on the gasket system regarding the activity release and a possible loss of tightness. The total pressure in any calculation is the sum of partial pressures of different gases which can be caused by different effects. The pressure build-up inside the package caused by the regulatory thermal test (30 min at 800 deg. C), as part of the cumulative test scenario under accident conditions of transport is discussed primarily. To determine the pressure, the temperature distribution in the content must be calculated for the whole period from beginning of the thermal test until cooling-down. In this case, while calculating the temperature distribution, conduction and radiation as well as evaporation and condensation during the associated process of transport have to be considered. This paper discusses limiting amounts of water inside the cask which could lead to unacceptable pressure and takes into account saturated steam as well as overheated steam. However, the difficulties of assessing casks containing wet content will be discussed. From the authority assessment point of view, drying of the content could be an effective way to avoid the above described pressure build-up and the associated difficulties for the safety assessment. (authors)

  13. Search for b?u transitions in B?[K????]DK decays

    SciTech Connect (OSTI)

    Lees, J. P.; Poireau, V.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Milanes, D. A.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Brown, D. N.; Kerth, L. T.; Kolomensky, Yu.?G.; Lynch, G.; Koch, H.; Schroeder, T.; Asgeirsson, D. J.; Hearty, C.; Mattison, T. S.; McKenna, J. A.; Khan, A.; Blinov, V. E.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Kravchenko, E. A.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu.?I.; Solodov, E. P.; Todyshev, K.?Yu.; Yushkov, A. N.; Bondioli, M.; Curry, S.; Kirkby, D.; Lankford, A. J.; Mandelkern, M.; Stoker, D. P.; Atmacan, H.; Gary, J. W.; Liu, F.; Long, O.; Vitug, G. M.; Campagnari, C.; Hong, T. M.; Kovalskyi, D.; Richman, J. D.; West, C. A.; Eisner, A. M.; Kroseberg, J.; Lockman, W. S.; Martinez, A. J.; Schalk, T.; Schumm, B. A.; Seiden, A.; Cheng, C. H.; Doll, D. A.; Echenard, B.; Flood, K. T.; Hitlin, D. G.; Ongmongkolkul, P.; Porter, F. C.; Rakitin, A. Y.; Andreassen, R.; Dubrovin, M. S.; Meadows, B. T.; Sokoloff, M. D.; Bloom, P. C.; Ford, W. T.; Gaz, A.; Nagel, M.; Nauenberg, U.; Smith, J. G.; Wagner, S. R.; Ayad, R.; Toki, W. H.; Spaan, B.; Kobel, M. J.; Schubert, K. R.; Schwierz, R.; Bernard, D.; Verderi, M.; Clark, P. J.; Playfer, S.; Watson, J. E.; Bettoni, D.; Bozzi, C.; Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Garzia, I.; Luppi, E.; Munerato, M.; Negrini, M.; Piemontese, L.; Baldini-Ferroli, R.; Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Nicolaci, M.; Pacetti, S.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Rama, M.; Zallo, A.; Contri, R.; Guido, E.; Lo Vetere, M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Bhuyan, B.; Prasad, V.; Lee, C. L.; Morii, M.; Edwards, A. J.; Adametz, A.; Marks, J.; Uwer, U.; Bernlochner, F. U.; Ebert, M.; Lacker, H. M.; Lueck, T.; Dauncey, P. D.; Tibbetts, M.; Behera, P. K.; Mallik, U.; Chen, C.; Cochran, J.; Crawley, H. B.; Meyer, W. T.; Prell, S.; Rosenberg, E. I.; Rubin, A. E.; Gritsan, A. V.; Guo, Z. J.; Arnaud, N.; Davier, M.; Derkach, D.; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Roudeau, P.; Schune, M. H.; Stocchi, A.; Wormser, G.; Lange, D. J.; Wright, D. M.; Bingham, I.; Chavez, C. A.; Coleman, J. P.; Fry, J. R.; Gabathuler, E.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.; Bevan, A. J.; Di Lodovico, F.; Sacco, R.; Sigamani, M.; Cowan, G.; Paramesvaran, S.; Brown, D. N.; Davis, C. L.; Denig, A. G.; Fritsch, M.; Gradl, W.; Hafner, A.; Prencipe, E.; Alwyn, K. E.; Bailey, D.; Barlow, R. J.; Jackson, G.; Lafferty, G. D.; Cenci, R.; Hamilton, B.; Jawahery, A.; Roberts, D. A.; Simi, G.; Dallapiccola, C.; Cowan, R.; Dujmic, D.; Sciolla, G.; Lindemann, D.; Patel, P. M.; Robertson, S. H.; Schram, M.; Biassoni, P.; Lazzaro, A.; Lombardo, V.; Palombo, F.; Stracka, S.; Cremaldi, L.; Godang, R.; Kroeger, R.; Sonnek, P.; Summers, D. J.; Nguyen, X.; Taras, P.; De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.; Raven, G.; Snoek, H. L.; Jessop, C. P.; Knoepfel, K. J.; LoSecco, J. M.; Wang, W. F.; Honscheid, K.; Kass, R.; Brau, J.; Frey, R.; Sinev, N. B.; Strom, D.; Torrence, E.; Feltresi, E.; Gagliardi, N.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.; Ben-Haim, E.; Bomben, M.; Bonneaud, G. R.; Briand, H.; Calderini, G.; Chauveau, J.; Hamon, O.; Leruste, Ph.; Marchiori, G.; Ocariz, J.; Sitt, S.; Biasini, M.; Manoni, E.; Rossi, A.; Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Neri, N.; Oberhof, B.; Paoloni, E.; Perez, A.; Rizzo, G.; Walsh, J. J.; Lopes Pegna, D.; Lu, C.; Olsen, J.; Smith, A. J. S.; Telnov, A. V.; Anulli, F.; Cavoto, G.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Li Gioi, L.; Mazzoni, M. A.; Piredda, G.; Buenger, C.; Hartmann, T.; Leddig, T.; Schrder, H.; Waldi, R.; Adye, T.; Olaiya, E. O.; Wilson, F. F.; Emery, S.; Hamel de Monchenault, G.; Vasseur, G.; Yche, Ch.; Aston, D.; Bard, D. J.; Bartoldus, R.; Benitez, J. F.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Field, R. C.; Franco Sevilla, M.; Fulsom, B. G.; Gabareen, A. M.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.; Kelsey, M. H.; Kim, H.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Lewis, P.; Li, S.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Muller, D. R.; Neal, H.; Nelson, S.; Ofte, I.; Perl, M.; Pulliam, T.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Santoro, V.; Schindler, R. H.; Snyder, A.; Su, D.; Sullivan, M. K.; Vavra, J.; Wagner, A. P.; Weaver, M.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Yarritu, A. K.; Young, C. C.; Ziegler, V.; Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.; Randle-Conde, A.; Sekula, S. J.; Bellis, M.

    2011-07-06

    We present a study of the decays B?DK with D mesons reconstructed in the K????? or K????? final states, where D indicates a D? or a D0 meson. Using a sample of 47410? BB pairs collected with the BABAR detector at the PEP-II asymmetric-energy e?e? collider at SLAC, we measure the ratios R?((?(B?[K????]DK))/((?(B?[K????]DK)). We obtain R?=(5?12?10(stat)?2?4(syst))10? and R?=(12?12?10(stat)?3?5(syst))10?, from which we extract the upper limits at 90% probability: R?<2310? and R?<2910?. Using these measurements, we obtain an upper limit for the ratio rB of the magnitudes of the b?u and b?c amplitudes rB<0.13 at 90% probability.

  14. A Linear trans -Bis(imido) Neptunium(V) Actinyl Analog: NpV (NDipp)2 ( tBu2 bipy)2Cl (Dipp = 2,6- i Pr2C6H3)

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

    Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C.

    2015-07-22

    We present the discovery that imido analogs of actinyl dioxo cations can be extended beyond uranium into the transuranic elements. Synthesis of the Np(V) complex, Np(NDipp)2(tBu2bipy)2Cl (1), is achieved through treatment of a Np(IV) precursor with a bipyridine co-ligand and lithium-amide reagent. Complex 1 has been structurally characterized, analyzed by 1H NMR and UV/vis/NIR spectroscopies, and the electronic structure evaluated by DFT calculations.

  15. Energy and charge transfers between (Bu{sub 4}N){sub 2}(Ru)(dcbpyH){sub 2}(NCS){sub 2} (N719) and ZnO thin films

    SciTech Connect (OSTI)

    Ni Manman; Cheng Qiang; Zhang, W. F.

    2010-03-15

    ZnO thin films and (Bu{sub 4}N){sub 2}(Ru)(dcbpyH){sub 2}(NCS){sub 2} (called N719) sensitized ZnO thin films are grown on fluorine-doped tin oxide (FTO) conducting glass substrates using laser molecular beam epitaxy. Ultraviolet-visible absorption, photoluminescence (PL), surface photovoltage spectroscopy, and Raman scattering are employed to probe into the transition process of photogenerated charges and the interaction between ZnO and N719. The experimental results indicate that there is a significant electronic interaction between N719 and ZnO through chemiadsorption. The interaction greatly enhances the photogenerated charge separation and thus the photovoltaic response of the ZnO film but remarkedly weakens its radiative recombination, i.e., PL, implying strong energy and charge transfer occurring between N719 and ZnO. In addition, a new PL peak observed at about 720 nm in N719 sensitized ZnO/FTO is attributed to the electron-hole recombination of N719.

  16. Measurement of BR(Bu to phi K)/BR(Bu to J/psi K) at the collider detector at Fermilab

    SciTech Connect (OSTI)

    Napora, Robert A

    2004-10-01

    This thesis presents evidence for the decay mode B{sup {+-}} {yields} {phi}K{sup {+-}} in p{bar p} collisions at {radical}s = 1.96 TeV using (120 {+-} 7)pb{sup -1} of data collected by the Collider Detector at Fermilab (CDF). This signal is then used to measure the branching ratio relative to the decay mode B{sup {+-}} {yields} J/{psi}K{sup {+-}}. The measurement starts from reconstructing the two decay modes: B{sup {+-}} {yields} {phi}K{sup {+-}}, where {phi} {yields} K{sup +}K{sup -} and B{sup {+-}} {yields} J/{psi}K{sup {+-}}, where J/{psi} {yields} {mu}{sup +}{mu}{sup -}. The measurement yielded 23 {+-} 7 B{sup {+-}} {yields} {phi}K{sup {+-}} events, and 406 {+-} 26 B{sup {+-}} {yields} J/{psi}K{sup {+-}} events. The fraction of B{sup {+-}} {yields} J/{psi}K{sup {+-}} events where the J/{psi} subsequently decayed to two muons (as opposed to two electrons) was found to be f{sub {mu}{mu}} = 0.839 {+-} 0.066. The relative branching ratio of the two decays is then calculated based on the equation: BR(B{sup {+-}} {yields} {phi}K{sup {+-}})/BR(B{sup {+-}} {yields} J/{psi}K{sup {+-}}) = N{sub {phi}K}/N{sub {psi}K} {center_dot}f{sub {mu}{mu}} BR(J/{psi} {yields} {mu}{sup +}{mu}{sup -})/BR({phi} {yields} K{sup +}K{sup -}) {epsilon}{sub {mu}{mu}}K/{epsilon}KKK R({epsilon}{sub iso}). The measurement finds BR(B{sup {+-}} {yields} {phi}K{sup {+-}})/BR(B{sup {+-}} {yields} J/{psi}K{sup {+-}}) = 0.0068 {+-} 0.0021(stat.) {+-} 0.0007(syst.). The B{sup {+-}} {yields} {phi}K{sup {+-}} branching ratio is then found to be BR(B{sup {+-}} {yields} {phi}K{sup {+-}}) = [6.9 {+-} 2.1(stat.) {+-} 0.8(syst.)] x 10{sup -6}. This value is consistent with similar measurements reported by the e{sup +}e{sup -} collider experiments BaBar[1], Belle[2], and CLEO[3].

  17. BIG SANDY IDA ONEID A WILL IAM SBU RG BU RNIN G SPRIN GS WIN

    U.S. Energy Information Administration (EIA) Indexed Site

    100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Appalachian Basin Boundary Appalachian Basin, TN-KY (Panel 7 of 7) Oil and Gas Fields By 2001 Gas

  18. BIG SANDY IDA ONEID A WILL IAM SBU RG BU RNIN G SPRIN GS WIN

    U.S. Energy Information Administration (EIA) Indexed Site

    100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary Appalachian Basin, TN-KY (Panel 7 of 7) Oil and Gas Fields By 2001 BOE

  19. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

    Gasoline and Diesel Fuel Update (EIA)

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 BOE

  20. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

    Gasoline and Diesel Fuel Update (EIA)

    Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 Gas

  1. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

    Gasoline and Diesel Fuel Update (EIA)

    Liquids Reserve Class No 2001 liquids reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl 10,000.1 - 100,000 Mbbl Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 Liquids

  2. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE DOME

    Gasoline and Diesel Fuel Update (EIA)

    BOE Reserve Class 0 20 40 10 30 Miles ± The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural information. The data and methods used in their creation are detailed in a report, "Scientific Inventory of Onshore

  3. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE DOME

    Gasoline and Diesel Fuel Update (EIA)

    Gas Reserve Class 0 20 40 10 30 Miles ± The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural information. The data and methods used in their creation are detailed in a report, "Scientific Inventory of Onshore

  4. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE...

    U.S. Energy Information Administration (EIA) Indexed Site

    Liquids Reserve Class 0 20 40 10 30 Miles The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy ...

  5. PARC Seminar Series featuring Don Bryant | Photosynthetic Antenna...

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

    Don Bryant PARC Seminar Series featuring Don Bryant "Far-red light photoacclimation (FaRLiP) leads to extensive acclimative remodeling of photosynthetic apparatus in...

  6. Microsoft Word - Bryant flyer

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

    Far-red light photoacclimation (FaRLiP) leads to extensive acclimative remodeling of photosynthetic apparatus in cyanobacteria" Dr. Donald Bryant Ernest C. Pollard Professor in...

  7. DOE Hydrogen and Fuel Cells Program Record #13007: Industry Deployed Fuel Cell Backup Power (BuP)

    Broader source: Energy.gov [DOE]

    This record from the DOE Hydrogen and Fuel Cells Program describes the number of current and planned fuel cell deployments for backup power applications.

  8. Browse by Discipline -- E-print Network Subject Pathways: Computer

    Office of Scientific and Technical Information (OSTI)

    Technologies and Information Sciences -- Energy, science, and technology for the research community -- hosted by the Office of Scientific and Technical Information, U.S. Department of Energy I J K L M N O P Q R S T U V W X Y Z Haack, Jeff (Jeff Haack) - Department of Mathematics, University of Texas at Austin Haagerup, Uffe (Uffe Haagerup) - Department of Mathematics and Computer Science, University of Southern Denmark Haak, Bernhard (Bernhard Haak) - Institut de Mathematiques de Bordeaux,

  9. Assignment of the luminescing states of [Au{sup 1}Rh{sup 1}({sup t}BuNC){sub 2}({mu}-dppm){sub 2}][PF{sub 6}]{sub 2}

    SciTech Connect (OSTI)

    Striplin, D.R.; Crosby, G.A.

    1995-07-13

    Fluorescence, phosphorescence, and excitation spectra were measured on the title compound. These results were augmented with polarization ratios obtained at 77 K and detailed studies of the temperature dependence of the phosphorescence in the 77-4 K range. The phosphorescence decay rate at K was also recorded as a function of an applied magnetic field. All the results are consistent with a 4d{sub z}Rh{sup 1} {yields} 6p{sub 2}Au{sup 1} orbital promotion leading to emitting {sup 1}A, {sup 3}A{sub 1} terms in pseudo-C{sub 2v} symmetry. The {sup 3}A{sub 1} term is split by spin-orbit coupling into a forbidden A{sub 2} state lying lowest followed by a quasi-degenerate pair, [B{sub 1}(x), B{sub 2}(y)] lying approximately 16 cm{sup -1} higher that decays >500 times faster than the lowest one. 28 refs., 6 figs.

  10. Dr. Donald Bryant | Photosynthetic Antenna Research Center

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

    Donald Bryant September 29, 2014 Dr. Donald Bryant "Far-red light photoacclimation (FaRLiP) leads to extensive acclimative remodeling of photosynthetic apparatus in cyanobacteria." View Seminar Here Original Event info: September 22, 2014 - 11:00am Washington University, Brauer Hall Room 12

  11. Final Scientific/Technical Report Grant title: Use of ARM Measurements of Spectral Zenith Radiance for Better Understanding of 3D Cloud-Radiation Processes and Aerosol-Cloud Interaction This is a collaborative project with the NASA GSFC project of Dr. A. Marshak and W. Wiscombe (PIs). This report covers BU activities from February 2011 to June 2011 and BU "œno-cost extension" activities from June 2011 to June 2012. This report summarizes results that complement a final technical report submitted by the PIs in 2011.

    SciTech Connect (OSTI)

    Knyazikhin, Y

    2012-09-10

    Main results are summarized for work in these areas: spectrally-invariant approximation within atmospheric radiative transfer; spectral invariance of single scattering albedo for water droplets and ice crystals at weakly absorbing wavelengths; seasonal changes in leaf area of Amazon forests from leaf flushing and abscission; and Cloud droplet size and liquid water path retrievals from zenith radiance measurements.

  12. DOE Hydrogen and Fuel Cells Program Record #13007: Industry Deployed...

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

    (BuP) DOE Hydrogen and Fuel Cells Program Record 13007: Industry Deployed Fuel Cell Backup Power (BuP) This record from the DOE Hydrogen and Fuel Cells Program describes the ...

  13. PRC Contract Management Plan

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

    MISSION SUPPORT CONTRACT Contract No. DE-AC06-09RL14728 CONTRACT MANAGEMENT PLAN Mission Support Alliance, LLC U.S. Department of Energy RICHLAND OPERATIONS OFFICE Approved September 8, 2014 Mission Support Contract DE-AC06-09RL14728 Concurrences: Karen L. Flynn RICHLAND OPERATIONS OFFICE CONTRACT MANAGEMENT PLAN MISSION SUPPORT CONTRACT Contract No. DE-AC06-09RLI4728 July2014 Assistant Manager for Mission Support Richland Operat'ons Office, (509) 3 76-7323 "'" " "'<Y Q

  14. untitled

    Office of Scientific and Technical Information (OSTI)

    Report Development of a 2 MW CW Waterload for Electron Cyclotron Heating Systems Calabazas Creek Research, Inc. 690 Port Drive San Mateo, CA 94404 (650) 312-9575, Fax: (650) 312-9536 RLI@CalCreek.com Principal Investigator: Dr. R. Lawrence Ives Topic Number: 56 Subtopic Number: b Grant Number: DE-SC0001930 No confidential or proprietary information is contained in this report 2 Calabazas Creek Research, Inc. Development of a 2 MW CW Waterload Topic 56b for Electron Cyclotron Heating Systems 1.

  15. United States Government Department of Energy Memorandum DATE:

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

    *- - ~Lull-- " --- .lUI -4 ru a rlyA IgjUU Z JEf 1325.8 (6-89) EFG (07.90) United States Government Department of Energy Memorandum DATE: SEP 2 2 2003 REPLY TO: IG-34 (A03TG049) Audit Report No.: OAS-L-03-21 sueJEcT: Evaluation of "The Federal Energy Regulatory Commission's Cyber Security Program-2003" TO: Chairman, Federal Energy Regulatory Commission The purpose of this report is to inform you of the results of our evaluation of the Federal Energy Regulatory Commission's

  16. Joshua Borycz | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Joshua Borycz Previous Next List Borycz PhD Student Department of Chemistry University of Minnesota, Twin Cities Email: boryc019 [at] umn.edu Phone: 309-749-5099 BS in Chemistry and Mathematics, Hope College, Michigan EFRC Research I study CO2 adsorption within metal-organic frameworks (MOFs). Thus far my research has focused on the M2(dobdc) series (M=Mg, Fe, Co, Ni, Cu). We combined quantum and classical methods by using the TraPPE or UFF force fields for all

  17. Everest Refrigeration: Order (2015-SE-42001) | Department of Energy

    Office of Environmental Management (EM)

    Order (2015-SE-42001) Everest Refrigeration: Order (2015-SE-42001) June 9, 2015 DOE ordered Bu Sung America Corporation (dba Everest Refrigeration) to pay a $12,080 civil penalty after finding Bu Sung had manufactured and distributed in commerce in the U.S. at least 64 units of noncompliant commercial refrigerator basic model ESGR3. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Bu Sung. PDF icon Everest Refrigeration: Order (2015-SE-42001) More

  18. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... The Role of Additive in Diketopyrrolopyrrole-based Small Molecular Bulk Heterojunction Solar Cells Wang, Hongyu ; Liu, Feng ; Bu, Laju ; Gao, Jun ; Wang, Cheng ; Wei, Wei ; ...

  19. Alternative Energy Finance | Open Energy Information

    Open Energy Info (EERE)

    Finance Jump to: navigation, search Name: Alternative Energy Finance Place: London, United Kingdom Zip: NW11 8BU Sector: Renewable Energy Product: String representation...

  20. Envirocapital | Open Energy Information

    Open Energy Info (EERE)

    Envirocapital Jump to: navigation, search Name: Envirocapital Place: London, United Kingdom Zip: EC4M 8BU Sector: Renewable Energy Product: Provides corporate finance advice to the...

  1. Mr. John E. Kieling, Bureau Chief Hazardous Waste Bureau

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

    Division New Mexico Environment Department 2905 Rodeo Park Drive East, Building 1 Santa Fe, NM 87508-6303 New Mexico Environment Department Harold Runnels Bu ildi ng 1190...

  2. Lattice Quantum Chromodynamics

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

    Lattice Quantum Chromodynamics Lattice Quantum Chromodynamics QCD-BU.jpg Key Challenges: Although the QCD theory has been extensively tested at at high energies, at low energies or...

  3. Kudzu (Pueraria montana) community responses to herbicides, burning, and high-density loblolly pine

    SciTech Connect (OSTI)

    T.B. Harrington; L.T. Rader-Dixon; J.W. Taylor, Jr.

    2003-11-01

    Kudzu is an aggressive, nonnative vine that currently dominates an estimated 810,000 ha of mesic forest communities in the eastern United States. To test an integrated method of weed control, abundances of kudzu and other plant species were compared during 4 yr after six herbicide treatments (clopyralid, triclopyr, metsulfuron, picloram 1 2,4-D, tebuthiuron, and a nonsprayed check), in which loblolly pines were planted at three densities (0, 1, and 4 seedlings m22) to induce competition and potentially delay kudzu recovery. This split-plot design was replicated on each of the four kudzu-dominated sites near Aiken, SC. Relative light intensity (RLI) and soil water content (SWC) were measured periodically to identify mechanisms of interference among plant species. Two years after treatment (1999), crown coverage of kudzu averaged , 2% in herbicide plots compared with 93% in the nonsprayed check, and these differences were maintained through 2001, except in clopyralid plots where kudzu cover increased to 15%. In 2001, pine interference was associated with 33, 56, and 67% reductions in biomass of kudzu, blackberry, and herbaceous vegetation, respectively. RLI in kudzu-dominated plots (4 to 15% of full sun) generally was less than half that of herbicide-treated plots. SWC was greatest in tebuthiuron plots, where total vegetation cover averaged 26% compared with 77 to 111% in other plots. None of the treatments eradicated kudzu, but combinations of herbicides and induced pine competition delayed its recovery.

  4. A=18F (1983AJ01)

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

    1979DA15, 1980GO01, 1980KU05, 1980MA18, 1981EL1D, 1981ER03, 1981GR06, 1982KI02). Cluster, collective and deformed models: (1977BU22, 1978BU03, 1978PI1E, 1978SA15,...

  5. A=18O (1983AJ01)

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

    1979DA15, 1979WU06, 1980GO01, 1980KU05, 1980MA18, 1981EL1D, 1982KI02, 1982OL01). Cluster, collective and deformed models: (1977BU22, 1978BU03, 1978CH26, 1978PI1E,...

  6. Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2

    SciTech Connect (OSTI)

    Liu, Tianbiao L.; Liao, Qian; O'Hagan, Molly J.; Hulley, Elliott; DuBois, Daniel L.; Bullock, R. Morris

    2015-06-22

    The synthesis and spectroscopic characterization of CpC5F4NFe(PtBu2NBn2)Cl, [3-Cl] (where C5F4N is the tetrafluorpyridyl substituent and PtBu2NBn2 = 1,5-di(tert-butyl)-3,7-di(benzyl)-1,5-diaza-3,7-diphosphacyclooctane) are reported. Complex 3-Cl and previously reported [CpC5F4NFe(PtBu2NtBu2)Cl], 4-Cl, are precursors to intermediates in the catalytic oxidation of H2, including CpC5F4NFe(PtBu2NBn2)H (3-H), CpC5F4NFe(PtBu2NtBu2)H (4-H), [CpC5F4NFe(PtBu2NBn2)]BArF4 ([3](BArF4), [CpC5F4NFe(PtBu2NtBu2)]BArF4 ([4](BArF4), [CpC5F4NFe(PtBu2NBn2)(H2)]BArF4 ([3-H2]BArF4), and [CpC5F4NFe(PtBu2NtBu2H)H]BArF4 ([4-FeH(NH)]BArF4). All of these complexes were characterized by spectroscopic and electrochemical studies; 3-Cl, 3-H and 4-Cl were also characterized by single crystal diffraction studies. 3-H and 4-H are electrocatalysts for H2 (1.0 atm) oxidation in the presence of a excess of the amine base N-methylpyrrolidine, with turnover frequencies at 22 °C of 2.5 s-1 and 0.5 s-1, and overpotentials at Ecat/2 of 235 mV and 95 mV, respectively. Studies of individual chemical and/or electrochemical reactions of the various intermediates provide important insights into the factors governing the overall catalytic activity for H2 oxidation, and provide important insights into the role of the pendant base of the [FeFe] hydrogenase active site. This work was supported by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  7. Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2 Production

    SciTech Connect (OSTI)

    Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. S.; Liu, Tianbiao L.; DuBois, Daniel L.; Bullock, R. Morris

    2014-10-27

    A series of heteroleptic 17e- cobalt complexes, [CpCoII(PtBu2NPh2)](BF4), [CpC6F5CoII(PtBu2NPh2)](BF4), [CpC5F4NCoII(PtBu2NPh2)](BF4), [where P2tBuN2Ph = 1,5-diphenyl-3,7-di(tert-butyl)-1,5-diaza-3,7-diphosphacyclooctane, CpC6F5 = C5H4(C6F5), and CpC5F4N = C5H4(C5F4N)] were synthesized, and structures of all three were determined by X-ray crystallography. Electrochemical studies showed that the CoIII/II couple of [CpC5F4NCoII(PtBu2NPh2)]+ appears 250 mV positive of the CoIII/II couple of [CpCoII(PtBu2NPh2)] as a result of the strongly electron-withdrawing perfluorpyridyl substituent on the Cp ring. Reduction of these paramagnetic CoII complexes by KC8 led to the diamagnetic 18e- complexes CpICo(PtBu2NPh2), CpC6F5CoI(PtBu2NPh2), CpC5F4NCoI(PtBu2NPh2), which were also characterized by crystallography. Protonation of these neutral CoI complexes led to the cobalt hydrides [CpCoIII(PtBu2NPh2)H](BF4), [CpC6F5CoIII(PtBu2NPh2)H](BF4), and [CpC5F4NCoIII(PtBu2NPh2)H](BF4). The cobalt hydride with the most electron-withdrawing Cp ligand, [CpC5F4NCoIII(PtBu2NPh2)H]+ is an electrocatalyst for production of H2 using 4-MeOC6H4NH3BF4 (pKaMeCN = 11.86) with a turnover frequency of 350 s-1 and an overpotential of 0.75 V. Experimental measurement of thermochemical data provided further insights into the thermodynamics of H2 elimination. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  8. Island Gas | Open Energy Information

    Open Energy Info (EERE)

    United Kingdom Zip: W1J 7BU Sector: Renewable Energy Product: UK-based coal bed methane company, Island Gas was the subject of a reverse takeover by KP Renewables in...

  9. MHK Projects/Makah Bay Offshore Wave Pilot Project | Open Energy...

    Open Energy Info (EERE)

    mooringanchoring and electrical connection system; (2) a 3.7-statute-mile-long, direct current (DC) submarine transmission cable connecting from one of the AquaBuOY's...

  10. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Guo, Shaojun (3) Su, Dong (2) Bu, Lingzheng (1) Chen, Gen (1) Ding, Jiabao (1) Guo, Jun ... F. Fidler ; He, Kai ; Su, Dong ; Chen, Gen ; Lin, Qianglu ; Pietryga, Jeffrey M. ; ...

  11. Class 1 Permit Modification Notification

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

    Waste Bureau New Mexico Environment Department 2905 Rodeo Park Drive East, Bu il ding 1 Santa Fe, New Mexico 87505-6303 JUL 0 5 2011 Subject: Notification of a Class 1 Permit...

  12. West Central Soy | Open Energy Information

    Open Energy Info (EERE)

    Soy Jump to: navigation, search Name: West Central Soy Place: Iowa Product: Biodiesel producer based in Iowa, Owned bu a soy farmer coop References: West Central Soy1 This...

  13. Center for Nanophase Materials Sciences (CNMS) - Publications

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

    M.; Decker, S. .R; Bu, L. T.; Zhao, X. C.; McCabe, C.; Wohlert, J.; Bergenstrahle, M.; Brady, J. W.; Adney, W. S.; Himmel, M. E.; Crowley, M. F., ":The O-Glycosylated Linker from...

  14. Everest Refrigeration: Noncompliance Determination (2015-SE-42001) |

    Office of Environmental Management (EM)

    Department of Energy Noncompliance Determination (2015-SE-42001) Everest Refrigeration: Noncompliance Determination (2015-SE-42001) April 24, 2015 DOE issued a Notice of Noncompliance Determination to Bu Sung America Corporation (dba Everest Refrigeration) finding that commercial refrigeration equipment model number ESGR3 does not comport with the energy conservation standards. DOE determined the product was noncompliant based on DOE testing. Bu Sung must immediately notify each person (or

  15. Homoleptic Ce(III) and Ce(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State

    SciTech Connect (OSTI)

    Bogart, Justin A.; Lewis, Andrew J.; Medling, Scott A.; Piro, Nicholas A.; Carroll, Patrick J.; Booth, Corwin H.; Schelter, Eric J.

    2014-06-25

    Electrochemical experiments performed on the complex Ce-IV[2-((BuNO)-Bu-t)py](4), where [2-((BuNO)-Bu-t)py](-) = N-tert-butyl-N-2-pyridylnitroxide, indicate a 2.51 V stabilization of the 4+ oxidation state of Ce compared to [(Bu4N)-Bu-n](2)[Ce(NO3)(6)] in acetonitrile and a 2.95 V stabilization compared to the standard potential for the ion under aqueous conditions. Density functional theory calculations suggest that this preference for the higher oxidation state is a result of the tetrakis(nitroxide) ligand framework at the Ce cation, which allows for effective electron donation into, and partial covalent overlap with, vacant 4f orbitals with delta symmetry. The results speak to the behavior of CeO2 and related solid solutions in oxygen uptake and transport applications, in particular an inherent local character of bonding that stabilizes the 4+ oxidation state. The results indicate a cerium(IV) complex that has been stabilized to an unprecedented degree through tuning of its ligand-field environment.

  16. Molecular and Electronic Structure of Cyclic Trinuclear Gold(I) Carbeniate Complexes: Insights for Structure/Luminescence/Conductivity Relationships

    SciTech Connect (OSTI)

    McDougaldJr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R; Rabaa, Hassan; Wang, Xiaoping; Nesterov, Vladimir; Cundari, Thomas R.; Gnade, Bruce E; Omary, Mohammad A

    2014-01-01

    An experimental and computational study of correlations between solid-state structure and optical/electronic properties of cyclotrimeric gold(I) carbeniates, [Au-3(RN=COR')(3)] (R, R' = H, Me, Bu-n, or (c)Pe), is reported. Synthesis and structural and photophysical characterization of novel complexes [Au-3(MeN=(COBu)-Bu-n)(3)], [Au-3((BuN)-Bu-n=COMe)(3)], [Au-3((BuN)-Bu-n=(COBu)-Bu-n)(3)], and [Au-3((c)PeN=COMe)(3)] are presented. Changes in R and R' lead to distinctive variations in solid-state stacking, luminescence spectra, and conductive properties. Solid-state emission and excitation spectra for each complex display a remarkable dependence on the solid-state packing of the cyclotrimers. The electronic structure of [Au-3(RN=COR')(3)] was investigated via molecular and solid-state simulations. Calculations on [Au-3(HN=COH)(3)] models indicate that the infinitely extended chain of eclipsed structures with equidistant Au-Au intertrimer aurophilic bonding can have lower band gaps, smaller Stokes shifts, and reduced reorganization energies (lambda). The action of one cyclotrimer as a molecular nanowire is demonstrated via fabrication of an organic field effect transistor and shown to produce a p-type field effect. Hole transport for the same cyclotrimer-doped within a poly(9-vinylcarbazole) host-produced a colossal increase in current density from similar to 1 to similar to 1000 mA/cm(2). Computations and experiments thus delineate the complex relationships between solid-state morphologies, electronic structures, and optoelectronic properties of gold(I) carbeniates.

  17. Nuclear Data Sheets for A = 50

    SciTech Connect (OSTI)

    Elekes, Zoltan; Timar, Janos; Singh, Balraj

    2011-01-15

    The experimental nuclear spectroscopic data for known nuclides of mass number 50 (Cl,Ar,K,Ca,Sc,Ti,V, Cr,Mn,Fe,Co,Ni) have been evaluated and presented together with Adopted properties for levels and {gamma} rays. This evaluation has been carried out about 15 years after the previous one by Thomas Burrows (1995Bu29). Except for {sup 50}Sc and {sup 50}V, extensive new data have become available for all the other nuclides in the intervening years. The data for {sup 50}Sc and {sup 50}V have also been checked again in detail and several changes made. No data are yet available for excited states in {sup 50}Cl, {sup 50}Ar and {sup 50}Ni. This work supersedes earlier evaluations (1995Bu29, 1990Bu18, 1984Al29, 1976Au07) of A=50 nuclides.

  18. The interactions of azure B, a metabolite of methylene blue, with acetylcholinesterase and butyrylcholinesterase

    SciTech Connect (OSTI)

    Petzer, Anl; Harvey, Brian H.; Petzer, Jacobus P.

    2014-02-01

    Methylene blue (MB) is reported to possess diverse pharmacological actions and is attracting increasing attention for the treatment of neurodegenerative disorders such as Alzheimer's disease. Among the pharmacological actions of MB, is the significant inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). These activities may, at least in part, underlie MB's beneficial effects in Alzheimer's disease. MB is metabolized to yield N-demethylated products of which azure B, the monodemethyl metabolite, is the predominant species. Azure B has been shown to be pharmacologically active and also possesses a variety of biological actions. Azure B therefore may contribute to the pharmacological profile of MB. Based on these considerations, the present study investigates the possibility that azure B may, similar to MB, act as an inhibitor of human AChE and BuChE. The results document that azure B inhibits AChE and BuChE with IC{sub 50} values of 0.486 ?M and 1.99 ?M, respectively. The results further show that azure B inhibits AChE and BuChE reversibly, and that the modes of inhibition are most likely competitive. Although the AChE and BuChE inhibitory activities of azure B are twofold and fivefold, respectively, less potent than those recorded for MB [IC{sub 50}(AChE) = 0.214 ?M; IC{sub 50}(BuChE) = 0.389 ?M] under identical conditions, azure B may be a contributor to MB's in vivo activation of the cholinergic system and beneficial effects in Alzheimer's disease. - Highlights: Methylene blue (MB) is a known inhibitor of AChE and BuChE. Azure B, the major metabolite of MB, also is an inhibitor of AChE and BuChE. Azure B may be a contributor to MB's in vivo activation of the cholinergic system. Azure B may contribute to MB's potential in Alzheimer's disease therapy.

  19. Sensitivity of the Properties of Ruthenium Blue Dimer to Method, Basis Set, and Continuum Model

    SciTech Connect (OSTI)

    Ozkanlar, Abdullah; Clark, Aurora E.

    2012-05-23

    The ruthenium blue dimer [(bpy)2RuIIIOH2]2O4+ is best known as the first well-defined molecular catalyst for water oxidation. It has been subject to numerous computational studies primarily employing density functional theory. However, those studies have been limited in the functionals, basis sets, and continuum models employed. The controversy in the calculated electronic structure and the reaction energetics of this catalyst highlights the necessity of benchmark calculations that explore the role of density functionals, basis sets, and continuum models upon the essential features of blue-dimer reactivity. In this paper, we report Kohn-Sham complete basis set (KS-CBS) limit extrapolations of the electronic structure of blue dimer using GGA (BPW91 and BP86), hybrid-GGA (B3LYP), and meta-GGA (M06-L) density functionals. The dependence of solvation free energy corrections on the different cavity types (UFF, UA0, UAHF, UAKS, Bondi, and Pauling) within polarizable and conductor-like polarizable continuum model has also been investigated. The most common basis sets of double-zeta quality are shown to yield results close to the KS-CBS limit; however, large variations are observed in the reaction energetics as a function of density functional and continuum cavity model employed.

  20. HIGH PRESSURE COAL COMBUSTION KINETICS PROJECT

    SciTech Connect (OSTI)

    Stefano Orsino

    2003-07-25

    NEA completed the CFD simulations for all NBFZ tests. SRI resumed work on HPBO experiments and conducted preliminary tests using the UCONN impactor. UCONN prepared several samples of char for cross-sectional analysis by SEM and characterization is underway. BU completed the NBFZ char characterization program. CBK model had been implemented into Fluent.

  1. A=19C (72AJ02)

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

    72AJ02) (Not illustrated) 19C may have been observed in the 3 GeV proton bombardment of a 197Au target: if so it is particle stable (RA70). Its mass excess must then be < 37.9 MeV (18C + n). See also (ZE60A, BU71E

  2. A=20N (72AJ02)

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

    72AJ02) (Not illustrated) 20N has been observed in the bombardment of 232Th by 122 MeV 18O ions (AR69E, AR70D) and in the 3 GeV proton bombardment of 197Au (RA70): it is particle stable. See also (ZE60A, BA61F, BU71E

  3. Lanthanide(III) di- and tetra-nuclear complexes supported by a chelating tripodal tris(amidate) ligand

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

    Brown, Jessie L.; Jones, Matthew B.; Gaunt, Andrew J.; Scott, Brian L.; MacBeth, Cora E.; Gordon, John C.

    2015-04-06

    Syntheses, structural, and spectroscopic characterization of multinuclear tris(amidate) lanthanide complexes is described. Addition of K3[N(o-PhNC(O)tBu)3] to LnX3 (LnX3 = LaBr3, CeI3, and NdCl3) in N,N-dimethylformamide (DMF) results in the generation of dinuclear complexes, [Ln(N(o-PhNC(O)tBu)3)(DMF)]2(μ-DMF) (Ln = La (1), Ce (2), Nd(3)), in good yields. Syntheses of tetranuclear complexes, [Ln(N(o-PhNC(O)tBu)3)]4 (Ln = Ce (4), Nd(5)), resulted from protonolysis of Ln[N(SiMe3)2]3 (Ln = Ce, Nd) with N(o-PhNCH(O)tBu)3. As a result, in the solid-state, complexes 1–5 exhibit coordination modes of the tripodal tris(amidate) ligand that are unique to the 4f elements and have not been previously observed in transition metal systems.

  4. A=15N (70AJ04)

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

    70AJ04) (See Energy Level Diagrams for 15N) GENERAL: See Table 15.4 Table of Energy Levels (in PDF or PS) here. Model calculations:(HA57B, BR59M, FE59E, TA60L, BA61N, BU63D,...

  5. A=10B (66LA04)

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

    66LA04) (See Energy Level Diagrams for 10B) GENERAL: See (BA59F, BR59M, TA60L, TR61, IN62, BU63D, KU63B, ME63A, MO63C, OL63B, VL63A, WA63C, AM64, BA64V, FR64D, GR64C, MA64HH,...

  6. Slide 1

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

    95 Wa ste Sit es Re me dia ted 9 23 ,00 0 To ns of So il Re mo ved Fin al Re me dia tio n of 61 8-1 0 & 618 -11 Bu ria l Gr ou nd s Co mp let e 40 0 A re a Fa st Flu...

  7. A=7Li (1988AJ01)

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

    See also (1984AJ01) and Table 7.2 Table of Energy Levels (in PDF or PS) here. Shell model: (1983BU1B, 1983KU17, 1983SH1D, 1983VA31, 1984CH24, 1984REZZ, 1984VA06,...

  8. A=19F (1983AJ01)

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

    1978DA1N, 1978MA2H, 1979DA15, 1980KU05, 1980MC1L, 1981ER03, 1981GR06, 1982KI02). Cluster, collective and rotational models: (1977BU22, 1977FO1E, 1978BR21, 1978CH26,...

  9. NOIJLVaiSINIWaV NOIlVlAldOdNI AOU3N3 Z661

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

    ... Pliufi aqi ui JHDDO 04 pajoadxa si 661 u pueuiap CDHO u qiMOJ aqj jo juaojad gg uBqi ajopM '(Z 31BU.J uoijduinssB ...

  10. Molecular Dynamics Simulation and Analysis of Interfacial Water at Selected Sulfide Mineral Surfaces under Anaerobic Conditions

    SciTech Connect (OSTI)

    Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

    2014-04-10

    In this paper, we report on a molecular dynamics simulation (MDS) study of the behavior of interfacial water at selected sulfide mineral surfaces under anaerobic conditions. The study revealed the interfacial water structure and wetting characteristics of the pyrite (100) surface, galena (100) surface, chalcopyrite (012) surface, sphalerite (110) surface, and molybdenite surfaces (i.e., the face, armchair-edge, and zigzag-edge surfaces), including simulated contact angles, relative number density profiles, water dipole orientations, hydrogen-bonding, and residence times. For force fields of the metal and sulfur atoms in selected sulfide minerals used in the MDS, we used the universal force field (UFF) and another set of force fields optimized by quantum chemical calculations for interactions with interfacial water molecules at selected sulfide mineral surfaces. Simulation results for the structural and dynamic properties of interfacial water molecules indicate the natural hydrophobic character for the selected sulfide mineral surfaces under anaerobic conditions as well as the relatively weak hydrophobicity for the sphalerite (110) surface and two molybdenite edge surfaces. Part of the financial support for this study was provided by the U.S. Department of Energy (DOE) under Basic Science Grant No. DE-FG-03-93ER14315. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE, funded work performed by Liem X. Dang. Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES. The authors are grateful to Professor Tsun-Mei Chang for valuable discussions.

  11. A=12O (1985AJ01)

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

    5AJ01) (See the Isobar Diagram for 12O) 12O has been observed in the 16O(α, 8He) reaction at Eα = 117.4 MeV (1978KE06) and in the 12C(π+, π-) reaction at Eπ = 164 MeV (1983BL08; see for angular distribution) and 180 MeV (1980BU15). The mass excess of 12O is 32.10 ± 0.12 MeV (1978KE06), 32.059 ± 0.048 MeV (1980BU15): we adopt 32.065 ± 0.045 MeV. 12O is thus unstable to decay into 10C + 2p by 1.79 MeV and into 11N* + p by 0.45 MeV [note that 11N* is probably not the ground state of 11N and

  12. A=7Be (1988AJ01)

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

    8AJ01) (See Energy Level Diagrams for 7Be) GENERAL: See also (1984AJ01) and Table 7.7 [Table of Energy Levels] (in PDF or PS) here. Nuclear models: (1983BU1B, 1983FU1D, 1983HO22, 1983PA06, 1984BA53, 1984KA06, 1984WA02, 1985FI1E, 1986FI07, 1986KR12, 1986VA13). Special states: (1982PO12, 1983BU1B, 1983HO22, 1984FI20, 1984WA02, 1985FI1E, 1986FI07, 1986VA13, 1986XU02, 1988KW02). Electromagnetic transitions, giant resonances: (1984KA06, 1985FI1E, 1986FI07, 1986ME13). Astrophysical questions:

  13. Evaluating ligands for use in polymer ligand film (PLF) for plutonium and uranium extraction

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

    Rim, Jung H.; Peterson, Dominic S.; Armenta, Claudine E.; Gonzales, Edward R.; Ünlü, Kenan

    2015-05-08

    We describe a new analyte extraction technique using Polymer Ligand Film (PLF). PLFs were synthesized to perform direct sorption of analytes onto its surface for direct counting using alpha spectroscopy. The main focus of the new technique is to shorten and simplify the procedure for chemically isolating radionuclides for determination through a radiometric technique. 4'(5')-di-t-butylcyclohexano 18-crown-6 (DtBuCH18C6) and 2-ethylhexylphosphonic acid (HEH[EHP]) were examined for plutonium extraction. Di(2-ethyl hexyl) phosphoric acid (HDEHP) were examined for plutonium and uranium extraction. DtBuCH18C6 and HEH[EHP] were not effective in plutonium extraction. HDEHP PLFs were effective for plutonium but not for uranium.

  14. Application of Gold Electrodes for the Study of Nickel Based Homogeneous Catalysts for Hydrogen Oxidation

    SciTech Connect (OSTI)

    Nepomnyashchii, Alexander B.; Liu, Fei; Roberts, John A.; Parkinson, Bruce A.

    2013-08-12

    Gold and glassy carbon working electrode materials are compared as suitable substrates for the hydrogen oxidation reaction with Ni(PCy2Nt-Bu2)2(BF4)2 used as a catalyst. Voltammetric responses showing electrocatalytic hydrogen oxidation mediated by the homogeneous electrocatalyst Ni(PCy2Nt-Bu2)2(BF4)2 are identical at glassy carbon and gold electrodes, which shows that gold electrode can be used for hydrogen oxidation reaction. This work is supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under FWP 56073.

  15. A=18C (72AJ02)

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

    72AJ02) (Not illuatrated) 18C is particle stable. Therefore its atomic mass excess, M - A, must be < 29.84 MeV [16C + 2n] (WA70E). 18C has been observed in the bombardment of 232Th by 122 MeV 18O ions (AR69E, AR70D) and in the 3 GeV proton bombardment of Au (RA70). See also (ZE60A, PO68B, BU71E

  16. Intermolecular C?H bond activation of benzene and pyridines by a vanadium(III) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex

    SciTech Connect (OSTI)

    Andino, Jos G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.

    2012-01-20

    Breaking of the carbon-hydrogen bond of benzene and pyridine is observed with (PNP)V(CH{sub 2}tBu){sub 2} (1), and in the case of benzene, the formation of an intermediate benzyne complex (C) is proposed, and indirect proof of its intermediacy is provided by identification of (PNP)VO({eta}{sup 2}-C{sub 6}H{sub 4}) in combination with DFT calculations.

  17. Radioisotope thermoelectric generator transportation system safety analysis report for packaging. Volumes 1 and 2

    SciTech Connect (OSTI)

    Ferrell, P.C.

    1996-04-18

    This SARP describes the RTG Transportation System Package, a Type B(U) packaging system that is used to transport an RTG or similar payload. The payload, which is included in this SARP, is a generic, enveloping payload that specifically encompasses the General Purpose Heat Source (GPHS) RTG payload. The package consists of two independent containment systems mounted on a shock isolation transport skid and transported within an exclusive-use trailer.

  18. BandelierDirections2011

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

    a r k i n g M E R G E T o T o w n s it e D ia m o n d D ri v e To Sa n ta Fe T o J e m e z M ts . Co mm ut er Bu s Dr op Of f P a r k i n g M E R G E M E R G E T o T o w n s i t e...

  19. Hydro-Pac Inc., A High Pressure Company | Department of Energy

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

    Hydro-Pac Inc., A High Pressure Company Hydro-Pac Inc., A High Pressure Company This presentation was given at the DOE Hydrogen Compression, Storage, and Dispensing Workshop in March 2013. PDF icon csd_workshop_6_siefert.pdf More Documents & Publications 2013 Hydrogen Compression, Storage, and Dispensing Cost Reduction Workshop Final Report Haskel/BuTech/PPI Hydrogen Transmission and Distribution Workshop

  20. Class 1 Permit Modification Notification

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

    Waste Bureau New Mexico Environment Department 2905 Rodeo Park Drive East, Bu il ding 1 Santa Fe, New Mexico 87505-6303 JUL 0 5 2011 Subject: Notification of a Class 1 Permit Modification to the Hazardous Waste Facility Permit, Permit Number: NM4890139088-TSDF Dear Mr. Kieling : Enclosed is a Class 1 Permit Modification Notification 1 0: * Update Emergency Coordinator list We certify under penalty of law that this document and the enclosure were prepared under our direction or supervision in

  1. Mr. John E. Kieling, Bureau Chief Hazardous Waste Bureau

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

    Resource Protection Division New Mexico Environment Department 2905 Rodeo Park Drive East, Building 1 Santa Fe, NM 87508-6303 New Mexico Environment Department Harold Runnels Bu ildi ng 1190 Saint Francis Drive, PO Box 5496 Santa Fe, NM 87502-5469 Subject: Fifth Supplement to the Report of Implementation of the Waste Isolation Pilot Plant Facility Resource Conservation and Recovery Act Contingency Plan on April 11, 2014 Dear Mr. Kieling and Ms. Roberts: On April11 , 2014, the Department of

  2. The Role of Additive in Diketopyrrolopyrrole-based Small Molecular Bulk

    Office of Scientific and Technical Information (OSTI)

    Heterojunction Solar Cells (Journal Article) | SciTech Connect Journal Article: The Role of Additive in Diketopyrrolopyrrole-based Small Molecular Bulk Heterojunction Solar Cells Citation Details In-Document Search Title: The Role of Additive in Diketopyrrolopyrrole-based Small Molecular Bulk Heterojunction Solar Cells Authors: Wang, Hongyu ; Liu, Feng ; Bu, Laju ; Gao, Jun ; Wang, Cheng ; Wei, Wei ; Russell, Thomas P. Publication Date: 2013-08-29 OSTI Identifier: 1160446 DOE Contract

  3. Nuclear Data Sheets for A = 68

    SciTech Connect (OSTI)

    McCutchan, E. A.

    2012-07-01

    The experimental results from the various reaction and radioactive decay studies leading to nuclides in the A = 68 mass chain have been reviewed. Nuclides ranging from Cr (Z = 24) to Br (Z = 35) are included. For these nuclei, level and decay schemes, as well as tables of nuclear properties, are given. This work supersedes the previous evaluation of the data on these nuclides (2002Bu29).

  4. Microsoft PowerPoint - Lin_2014_CNMS_UserScienceHighlight_NatNano.pptx [Read-Only]

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

    show the fabrication of flexible metallic nanowires and their Y-junction structures from a semiconducting transition-metal dichalcogenide (TMDC) monolayer via electron irradiation in an aberration-corrected scanning transmission electron microscope. Bu using a combination of in- situ experiments and theoretical calculations, we were able to characterize the electrical properties and mechanical flexibility of the nanowires. TMDC materials have been considered as promising candidates for next

  5. Everest Refrigeration: Proposed Penalty (2015-SE-42001) | Department of

    Office of Environmental Management (EM)

    Energy Proposed Penalty (2015-SE-42001) Everest Refrigeration: Proposed Penalty (2015-SE-42001) June 3, 2015 DOE alleged in a Notice of Proposed Civil Penalty that Bu Sung America Corporation (dba Everest Refrigeration) manufactured and distributed noncompliant commercial refrigeration equipment model ESGR3 in the U.S. Federal law subjects manufacturers and private labelers to civil penalties if those parties distribute in the U.S. products that do not meet applicable energy conservation

  6. MEMORANDUM TO: FILE DATE

    Office of Legacy Management (LM)

    -.. 37qg: MEMORANDUM TO: FILE DATE =b-- FROM: ---L- _------__ u . SUBJECT: SITE ACl= ALTERNATE NAME: -_______-~-----------------NA~E:__( CITY:--~---------_-STATE:-~~ (2 OWNE!sI_SL f Past- L&cl= w ------------------- ----- Current- w buL.r - ------------ ownq cm-ltacted 0 yes @ "no; if yes, data cnntacte TYPE OF OPERATION -------------_~-~ q Research & Development 0 Production %.cale testing 0 Pilot Scale 0 Bench Scale Process 0 Theoretical Studies 0 Sample 84 Analysis 0 Production

  7. S?. LL-UIIS WLLM

    Office of Legacy Management (LM)

    No. 31 12/!1/87 IEmN wffi WE ST. Lulls m ST. cows awv m S?. LL-UIIS WLLM ftl M NV 9 HIC ltRElWXDwIDloIC6IC~ WVCf ., sm. m buTm1Iv IJm-n Fww. DECMPIISSI~ 1NltEEhU 1"O'S. llE SITEHGSS IKUKDtR6XNWi'. sllErimhtED1omDFMl rnlR!E mrm

  8. Extractant composition including crown ether and calixarene extractants

    DOE Patents [OSTI]

    Meikrantz, David H.; Todd, Terry A.; Riddle, Catherine L.; Law, Jack D.; Peterman, Dean R.; Mincher, Bruce J.; McGrath, Christopher A.; Baker, John D.

    2009-04-28

    An extractant composition comprising a mixed extractant solvent consisting of calix[4] arene-bis-(tert-octylbenzo)-crown-6 ("BOBCalixC6"), 4',4',(5')-di-(t-butyldicyclo-hexano)-18-crown-6 ("DtBu18C6"), and at least one modifier dissolved in a diluent. The DtBu18C6 may be present at from approximately 0.01M to approximately 0.4M, such as at from approximately 0.086 M to approximately 0.108 M. The modifier may be 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol ("Cs-7SB") and may be present at from approximately 0.01M to approximately 0.8M. In one embodiment, the mixed extractant solvent includes approximately 0.15M DtBu18C6, approximately 0.007M BOBCalixC6, and approximately 0.75M Cs-7SB modifier dissolved in an isoparaffinic hydrocarbon diluent. The extractant composition further comprises an aqueous phase. The mixed extractant solvent may be used to remove cesium and strontium from the aqueous phase.

  9. Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants

    DOE Patents [OSTI]

    Meikrantz, David H.; Todd, Terry A.; Riddle, Catherine L.; Law, Jack D.; Peterman, Dean R.; Mincher, Bruce J.; McGrath, Christopher A.; Baker, John D.

    2007-11-06

    A mixed extractant solvent including calix[4]arene-bis-(tert-octylbenzo)-crown-6 ("BOBCalixC6"), 4',4',(5')-di-(t-butyldicyclo-hexano)-18-crown-6 ("DtBu18C6"), and at least one modifier dissolved in a diluent. The mixed extractant solvent may be used to remove cesium and strontium from an acidic solution. The DtBu18C6 may be present from approximately 0.01 M to approximately 0.4M, such as from approximately 0.086 M to approximately 0.108 M. The modifier may be 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol ("Cs-7SB") and may be present from approximately 0.01M to approximately 0.8M. In one embodiment, the mixed extractant solvent includes approximately 0.15M DtBu18C6, approximately 0.007M BOBCalixC6, and approximately 0.75M Cs-7SB modifier dissolved in an isoparaffinic hydrocarbon diluent. The mixed extractant solvent may form an organic phase in an extraction system that also includes an aqueous phase. Methods of extracting cesium and strontium as well as strontium alone are also disclosed.

  10. Controlled Synthesis of Polyenes by Catalytic Methods. Progress Report, December 1, 1989 -- November 30, 1992

    DOE R&D Accomplishments [OSTI]

    Schrock, R. R.

    1992-01-01

    A more direct approach to polyenes by the direct polymerization of acetylenes has been achieved. We were able to show that polymerization of acetylene itself can be controlled with a well- characterized alkylidene catalyst, but only if a base such as quinuclidine is present in order to slow down the rate of propagation relative to initiation. (Quinuclidine may also stabilize vinylalkylidene intermediates formed in the reaction). Unfortunately, living polyenes were no more stable than isolated polyenes, and so this approach had its limitations. Direct polymerization of acetylene by Mo(CH-t-Bu)(NAr)(O-t-Bu){sub 2} was more successful, but inherent polyene instability was still a problem. The most important result of the past grant period is the finding that dipropargyl derivatives (HC=CCH{sub 2}XCH{sub 2}C=CH; X = CH{sub 2}, C(CO{sub 2}R){sub 2}, SiR{sub 2}, etc.), which have been reported to be cyclopolymerized by various classical catalysts by as yet unknown mechanisms, are polymerized by Mo(CH-t-Bu)(NAr)[OCMe(CF{sub 3}){sub 2}]{sub 2} in dimethoxyethane. We speculate that intramolecular formation of a five-membered ring in the product of {alpha} addition is fast enough to yield another terminal alkylidene on the time scale of the polymerization reaction, while a six-membered ring is formed in a reaction involving a more reaction terminal alkylidene. Either intermediate alkylidene, but most likely the terminal alkylidene, could react with additional monomer to lead to growth of a chain having dangling triple bonds that eventually could be employed to form crosslinks.

  11. HIGH PRESSURE COAL COMBUSTION KINETICS PROJECT

    SciTech Connect (OSTI)

    Chris Guenther, Ph.D.

    2003-01-28

    SRI has completed the NBFZ test program, made modification to the experimental furnace for the HPBO test. The NBFZ datasets provide the information NEA needs to simulate the combustion and fuel-N conversion with detailed chemical reaction mechanisms. BU has determined a linear swell of 1.55 corresponding to a volumetric increase of a factor of 3.7 and a decrease in char density by the same factor. These results are highly significant, and indicate significantly faster burnout at elevated pressure due to the low char density and large diameter.

  12. 18Ne

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

    Ne β+-Decay Evaluated Data Measurements 1954GO17: 18Ne. 1961BU05: 18Ne; measured not abstracted; deduced nuclear properties. 1961EC02: 18Ne; measured not abstracted; deduced nuclear properties. 1963FR10: 18Ne; measured not abstracted; deduced nuclear properties. 1965FR09: 18Ne; measured not abstracted; deduced nuclear properties. 1968GO05: 18Ne; measured Eγ, Iγ; deduced Iβ, log ft. 18F deduced levels, branching ratios. 1970AL11: 18Ne; measured T1/2; deduced log ft, β-branching. 1970AS06,

  13. A=9C (1984AJ01)

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

    4AJ01) (See the Isobar Diagram for 9C) GENERAL: (See also (1979AJ01) for other references in this category and for some reactions on which no new work has been done.) and Table 9.12 [Table of Energy Levels] (in PDF or PS) here. Model calculations: (1979LA06). Complex reactions involving 9C: (1981MO20). Reactions involing pions: (1979AS01, 1979NA1E, 1980BU15, 1983HU02). Other topics: (1979BE1H, 1979LA06, 1982NG01). Mass of 9C: The recent Q0 value for the 12C(3He, 6He)9C reaction (see reaction 3)

  14. BIG RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST

    Gasoline and Diesel Fuel Update (EIA)

    RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST OWN BU RNSIDE MILLSTONE FROSTBUR G JUN EAU PLU MVILLE CHERRY HILL KAN E BOSWELL MAR ION CENT ER CREEKSIDE SALTSBUR G POINT N BLAIR SVILL E COU NCIL RU N SIGEL LEWISVILLE BEAR C REEK AR MBRUST OHIOPYLE HALLT ON BR OOKVILLE MAR KTON NOL O RAT HMEL COR SICA MAR CHAND SMIC KSBU RG HOWE APOLLO SEVEN SPRIN GS YAT ESBORO MCNEES LUCIND A GEORGE PIN EY LEEPER TIMBLIN WILL ET FERGUSON CLIMAX PANIC DAVY HILL TIDIOUT E GRAMPIAN SLIGO ROC KVI LLE

  15. QER- Comment of Mike Gray

    Broader source: Energy.gov [DOE]

    The biggest issue with wind energy in ND is the Transmission System. There was a proposal recently by Clean Line Energy This type of forward thinking would allow wind energy to go forward.... The other huge issue is the blockade that the fossil fuel industry has placed on Master Limited Partnerships in 1978!! If the Master Limited Partner Parity Act is passed THAT WOULD BE A GAME CHANGER!! ( this is sponsored bu Senator Coons From DE) Call me directly..... You can also aske Heidi Heitkamp about me.... Mike Gray

  16. Highly efficient greenish-blue platinum-based phosphorescent organic light-emitting diodes on a high triplet energy platform

    SciTech Connect (OSTI)

    Chang, Y. L. Gong, S. White, R.; Lu, Z. H.; Wang, X.; Wang, S.; Yang, C.

    2014-04-28

    We have demonstrated high-efficiency greenish-blue phosphorescent organic light-emitting diodes (PHOLEDs) based on a dimesitylboryl-functionalized C^N chelate Pt(II) phosphor, Pt(m-Bptrz)(t-Bu-pytrz-Me). Using a high triplet energy platform and optimized double emissive zone device architecture results in greenish-blue PHOLEDs that exhibit an external quantum efficiency of 24.0% and a power efficiency of 55.8?lm/W. This record high performance is comparable with that of the state-of-the-art Ir-based sky-blue organic light-emitting diodes.

  17. Carlsbad Field Office P. O. Box 3090 Carlsbad

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

    W aste Bu reau New Mexico Environment Department 2905 Rodeo Park Drive East, Buitding 1 San ta Fe. New Mexico 87505-6303 FEB 1 3 20j~ Subject: Notification of Cla ss 1 Permit Modification to the Hazardous Waste Facility Permit, Number: NM4890139088-TSDF De ar Mr. Kieling : Enclosed is the Class 1 Permit Modification Notification listed below: * Change in th e Department of Energy, Carlsbad Field Office Manager We certify under penalty of law that this document and th e enclos ure were prepared

  18. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

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

    81 § ¨ ¦ 81 LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON CALEDONIA HURON C REEK LEIC EST ER COL DEN ASH FORD INDIAN FALLS LAWTONS SAR DINIA RPD-037 -2 GLENWOOD PU LASKI PAVILION CON CORD COL LINS N ELM A ORC HARD PARK-H AMBU RG DANLEY CORNERS ST ILLWAT ER CHAFF EE-ARCAD E FAYETT E-WATERLOO LAKEVIEW JAVA SEN EC A W ELLER Y AU RORA E ZOAR BU FFALO TIOGA SILVER LAKE AKR ON ROM E RAT HBON E ALM A BET HANY WYOMING ULYSSES BR ANCH W SAN DY CREEK COL LINS BLOOMFIELD E LEBANON

  19. Vacuum Insulation for Window

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

    3M#Pres(ge#70# 3M#Pres(ge#90# Glass# on Vacuum I nsula4on for W indow 201 Bu uildin Te echnologie Offi ffic Pe ee Rev vie Pictures of NREL's transparent vacuum insulation for windows. The pictures show that the evacuated components are transparent while providing superior insulation in a flexible structure that can be retrofitted to installed windows. Image of vacuum capsules low-e coated films and glass, after multiple sprayed layers. Lin Simpson, lin.simpson@nrel.gov Na4ona Ren newabl En nerg

  20. Venture Capital Finance

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

    Venture Capital Finance DOE Biomass Conference July 2014 Priced Out of Oil ... Into What? Energy Source Commodity Price Sun: $0 / GJ Oil (6.2 GJ/bbl) $10/bbl = $1.6 / GJ (late 1990s) Coal: $3 - 6 / GJ Natural Gas (N America) $3 - 4 / GJ Biomass (15 GJ/dt) $60-100/dt = $4 - 6 / GJ Natural Gas (ex N America) $10 - 15 / GJ Oil (6.2 GJ/bbl) $100/bbl = $16 / GJ Corn $4-7/bu= $10 - 20 / GJ 2 * Higher oil prices create a disruptive opportunity for lower cost feedstocks * North American shale gas is a

  1. SUBJIHX:

    Office of Legacy Management (LM)

    : SUBJIHX: ?%w P ~.~i~~~~~ I' - 6*:&b d-h tQ @ i -" i" 1 s..?F?ew% ,~~~.~~~~,~ ,l Aesisrtmxt ?Xrarctmr for DATE Jitx;;r 6, I.955 l' lmPmfiQn, mv3.sion of R&w Materials 060. G, Marvin, Qirsctor for PrfXess Developnsnt 4: :.- p, J. Picario, stz.uction and n - f',_' h j::... ; Supply Branch, Division of Raw Materials -T 17 -L, 3c &j 0 DATA BE RESTORATION, ABANJIONMENT OR SELLING BU%3ING AND CERTAIN . " L) CURRIES ON FBCPEB'E OFU. S. PHOSPHO~C PRCDUCTS, EAST TAMPA, --

  2. TO. TO. , W. B; Harris, Chief, Industrial Hygiene'Branch DA , W. B; Harris, Chief, Industrial Hygiene'Branch DA

    Office of Legacy Management (LM)

    ~~~~;.Offi~~~~~~~~~~~ ,/-; l UNITED STh , :__ .~. :__ .~. , , TO. TO. , W. B; Harris, Chief, Industrial Hygiene'Branch DA , W. B; Harris, Chief, Industrial Hygiene'Branch DA Health and Safet Division pa& 1 Ps B.- Klevin :mL -y!yG hMBOL: HSH:PBK hMBOL: HSH:PBK : 1. Purpose of Visit >.. a. To study operations planned by~Bu.reau of Ea: factors for Be, II, thorium, zirconium, etc, i b. ,'To explain to Bureauof Mines' personnel tl in handling any of the aforementioned mate] 2. Scope of Work

  3. L AMENDMENT OF SOLICITATION/MODIFICATION OF CONTRACT

    National Nuclear Security Administration (NNSA)

    L _ AMENDMENT OF SOLICITATION/MODIFICATION OF CONTRACT 2. AMENDMENT/MODIFICATION NO. 3. EFFECTIVE DATE 25 7 See Block 16C 6 . 1SSUED BY CODE 0500 8 NNSA/ Oa kridge Site Office u.s. De pa rtment of Energ y NNSA/ Y-12 S it e Offic e P. O. Box 2 05 0 Bu ilding 97 0 4- 2 Oak Ridge TN 37831 8 . NAME AND ADDRESS OF CONTRACTOR (No., street, county. state and ZIP Code) ABCOCK & WILCOX TECHNICAL B A t t n: W ILLIE J. W I LSON PO BOX 2009 SERVICES Y- 12 , LLC ,1 . CONTRACT ID CODE I PAGE OF PAGES 1 I

  4. Assessment of the Electrohol process to manufacture acetaldehyde from ethanol electrogeneratively. Final report

    SciTech Connect (OSTI)

    Trevino, A.A.

    1985-04-10

    Preliminary process economics data for the electrogenerative process to manufacture acetaldehyde from ethanol were generated based on patent information. The technology was assessed in four alternative processing options. The Electrohol process is viable in the US only if integrated to the production of 190 pf ethanol from corn in a large scale unit. To be competitive, the Electrohol process must show yields in excess of 93%. Its attractiveness depends on corn prices remaining under $2.90/bu and DDG selling for more than $132/T. A corn price of $2.00/bu is needed to make a farm-size corn-based processing alternative competitive. A plant based on the fermentation of molasses proved too expensive under the US economic assumptions. The Electrohol technology based on purchased ethanol cannot compete with the existing ethylene-based process under current conditions. To become attractive, the Electrohol process must have access to cheap ethanol ($1.43/gal). The zero electricity generation mode is the most attractive mode of operation for the Electrohol technology in the US. The penalty for low levels of generation (0.130 kwh/kg AcH) is, however, negligible. The optimum operating mode in W. Europe is the generation of 0.312 kwh/kg AcH. In Japan, the low generation level is perferred (0.130 kwh/kg AcH). In general, higher energy prices improve the competitiveness of the Electrohol processing alternatives.

  5. Simultaneous separation of cesium and strontium from spent nuclear fuel using the fission-product extraction process

    SciTech Connect (OSTI)

    Law, J.D.; Peterman, D.R.; Riddle, C.L.; Meikrantz, D.A.; Todd, T.A.

    2008-07-01

    The Fission-Product Extraction (FPEX) Process is being developed as part of the United States Department of Energy Global Nuclear Energy Partnership (GNEP) for the simultaneous separation of cesium and strontium from spent LWR fuel. Separation of the Cs and Sr will reduce the short-term heat load in a geological repository and, when combined with the separation of Am and Cm, could increase the capacity of the geological repository by a factor of approximately 100. The FPEX process is based on two highly-specific extractants: 4,4',(5')-di-(t-butyl-dicyclohexano)- 18-crown-6 (DtBuCH18C6) and calix[4]arene-bis-(t-octyl-benzo-crown-6 ) (BOBCalixC6). The DtBuCH18C6 extractant is selective for strontium, and the BOBCalixC6 extractant is selective for cesium. Results of flowsheet testing of the FPEX process with simulated and actual spent-nuclear-fuel feed solution in centrifugal contactors are detailed. Removal efficiencies, co-extraction of metals, and process hydrodynamic performance ar e discussed along with recommendations for future flowsheet testing with actual spent nuclear fuel. Recent advances in the evaluation of alternative calixarenes with increased solubility and stability are also detailed. (authors)

  6. Electron localization in a mixed-valence diniobium benzene complex

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

    Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John

    2014-11-11

    Reaction of the neutral diniobium benzene complex {[Nb(BDI)NtBu]2(μ-C6H6)} (BDI = N,N'-diisopropylbenzene-β-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(μ-C6H6)}{B(C6F5)4}. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L3,2-edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that ismore » not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the δ-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.« less

  7. Electron localization in a mixed-valence diniobium benzene complex

    SciTech Connect (OSTI)

    Gianetti, Thomas L.; Nocton, Grgory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John

    2014-11-11

    Reaction of the neutral diniobium benzene complex {[Nb(BDI)NtBu]2(?-C6H6)} (BDI = N,N'-diisopropylbenzene-?-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(?-C6H6)}{B(C6F5)4}. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L3,2-edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that is not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the ?-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.

  8. Mixed N-Heterocyclic Carbene-Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions

    SciTech Connect (OSTI)

    Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D

    2014-12-08

    In order to facilitate oxidative addition chemistry of fac-coordinated rhodium(I) and iridium(I) compounds, carbenebis(oxazolinyl)phenylborate proligands have been synthesized and reacted with organometallic precursors. Two proligands, PhB(OxMe2)2(ImtBuH) (H[1]; OxMe2 = 4,4-dimethyl-2-oxazoline; ImtBuH = 1-tert-butylimidazole) and PhB(OxMe2)2(ImMesH) (H[2]; ImMesH = 1-mesitylimidazole), are deprotonated with potassium benzyl to generate K[1] and K[2], and these potassium compounds serve as reagents for the synthesis of a series of rhodium and iridium complexes. Cyclooctadiene and dicarbonyl compounds {PhB(OxMe2)2ImtBu}Rh(?4-C8H12) (3), {PhB(OxMe2)2ImMes}Rh(?4-C8H12) (4), {PhB(OxMe2)2ImMes}Rh(CO)2 (5), {PhB(OxMe2)2ImMes}Ir(?4-C8H12) (6), and {PhB(OxMe2)2ImMes}Ir(CO)2 (7) are synthesized along with ToMM(?4-C8H12) (M = Rh (8); M = Ir (9); ToM = tris(4,4-dimethyl-2-oxazolinyl)phenylborate). The spectroscopic and structural properties and reactivity of this series of compounds show electronic and steric effects of substituents on the imidazole (tert-butyl vs mesityl), effects of replacing an oxazoline in ToM with a carbene donor, and the influence of the donor ligand (CO vs C8H12). The reactions of K[2] and [M(?-Cl)(?2-C8H14)2]2 (M = Rh, Ir) provide {?4-PhB(OxMe2)2ImMes?CH2}Rh(?-H)(?-Cl)Rh(?2-C8H14)2 (10) and {PhB(OxMe2)2ImMes}IrH(?3-C8H13) (11). In the former compound, a spontaneous oxidative addition of a mesityl ortho-methyl to give a mixed-valent dirhodium species is observed, while the iridium compound forms a monometallic allyl hydride. Photochemical reactions of dicarbonyl compounds 5 and 7 result in CH bond oxidative addition providing the compounds {?4-PhB(OxMe2)2ImMes?CH2}RhH(CO) (12) and {PhB(OxMe2)2ImMes}IrH(Ph)CO (13). In 12, oxidative addition results in cyclometalation of the mesityl ortho-methyl similar to 10, whereas the iridium compound reacts with the benzene solvent to give a rare crystallographically characterized cis-[Ir](H)(Ph) complex. Alternatively, the rhodium carbonyl 5 or iridium isocyanide {PhB(OxMe2)2ImMes}Ir(CO)CNtBu (15) reacts with PhSiH3 in the dark to form the silyl compound {PhB(OxMe2)2ImMes}RhH(SiH2Ph)CO (14) or {PhB(OxMe2)2ImMes}IrH(SiH2Ph)CNtBu (17). These examples demonstrate the enhanced thermal reactivity of {PhB(OxMe2)2ImMes}-supported iridium and rhodium carbonyl compounds in comparison to tris(oxazolinyl)borate, tris(pyrazolyl)borate, and cyclopentadienyl-supported compounds.

  9. 16C

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

    C β--Decay Evaluated Data Measurements 1961HI01: 16C; measured not abstracted; deduced nuclear properties. 1976AL02: 16C; measured Eγ, Iγ, γ(t), T1/2, delayed neutrons log ft. 16N deduced levels. 1976FI03: 16C; measured T1/2, delayed γ, delayed neutrons. 1983GA03: 16C(β-), (β-n); measured β(t), γ(t), βγ-coin; deduced log ft. 16N levels deduced β-branching ratio. 2000BU33, 2001GR06: 16C(β-n); measured β-delayed neutron spectra. 16N deduced level, J, π. Comparison with shell model

  10. 16Ne

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

    Ne Ground-State Decay Evaluated Data Measured Ground-State Γcm for 16Ne Adopted value: 122 ± 37 keV (1993TI07) Measured Mass Excess for 16Ne Adopted value: 23996 ± 20 keV (2003AU02) Measurements 1971MAXQ: 16O(π+, π-); measured particle spectra, σ. 1977HO13: 16O(π+, π-), E = 145 MeV; measured σ; deduced Q. 16Ne deduced mass excess. 1977KEZX: 20Ne(α, 8He), E = 118 MeV; measured σ. 16Ne deduced levels, mass excess. 1978BU09: 16O(π+, π-), E = 145 MeV; measured σ. 16Ne deduced mass

  11. A=10Be (66LA04)

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

    66LA04) (See Energy Level Diagrams for 10Be) GENERAL: See (KU56, FR57, BA59F, KU60A, TA60L, BA61N, TR61, BU63D, VL63A, WA63C, FR64D, GR64C, VO64C, WA64H, WA64K). See also Table 10.1 [Table of Energy Levels] (in PDF or PS). 1. 10Be(β-)10B Qm = 0.555 The weighted mean end-point energy is 0.556 ± 0.003 MeV (LI51A). The mean half life is (2.7 ± 0.4) x 106 y (HU49A): log ft = 13.65 (FE51B). The spectrum is of the D2 type (WU50). 2. (a) 7Li(t, α)6He Qm = 9.834 Eb = 17.250 (b) 7Li(t, 2n)8Be Qm =

  12. A=12B (1975AJ02)

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

    75AJ02) (See Energy Level Diagrams for 12B) GENERAL: See also (1968AJ02) and Table 12.2 [Table of Energy Levels] (in PDF or PS). Model calculations: (1968FU1B, 1968GU11, 1969MO1F, 1969VA1C, 1970TA1J, 1973HA49, 1973SA30). Special levels: (1968CE1A, 1968GU11, 1970FR1C, 1973SA30). Electromagnetic transitions: (1969VA1C, 1973HA49, 1973SA30). Special reactions: (1969AR13, 1969GA18, 1971AR02, 1973KO1D, 1973WI15, 1974FO22). Muon capture (See also reaction 16.): (1969VA37, 1970BU1B, 1970HI09, 1971MO1Q,

  13. A=13B (1981AJ01)

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

    1AJ01) (See Energy Level Diagrams for 13B) GENERAL: See also (1976AJ04) and Table 13.1 [Table of Energy Levels] (in PDF or PS). Experimental work on complex reactions in which 13B is observed: (1976BU16, 1977AR06, 1978GE1C, 1978KO01, 1979LE1J). Reviews and theoretical papers: (1976AB04, 1976VA29, 1977DO06, 1978AB08, 1978DE15, 1979AL22, 1979BE1H, 1979BO22, 1980MA1F, 1980MU1B). Q = 0.0478 ± 0.0046 b (1973HAVZ, 1978LEZA). μ = +3.17778 ± 0.00051 nm (1978LEZA). 1. 13B(β-)13C Qm = 13.437 The

  14. A=16Ne (1986AJ04)

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

    6AJ04) (See the Isobar Diagram for 16Ne) GENERAL: See also (1982AJ01) and Table 16.26 [Table of Energy Levels] (in PDF or PS) here. See (1981SE1B, 1983ANZQ, 1985AN28, 1985MA1X). Mass of 16Ne: The Q-values of the 20Ne(α, 8He) and 16O(π+, π-) reactions lead to atomic mass excesses of 23.93 ± 0.08 MeV (1978KE06), 23.978 ± 0.024 MeV (1983WO01) and 24.048 ± 0.045 MeV (1980BU15) [recalculated using the (1985WA02) masses for 8He, 16O and 20Ne]. The weighted mean is 23.989 ± 0.020 MeV which is

  15. A=16Ne (1993TI07)

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

    93TI07) (See the Isobar Diagram for 16Ne) GENERAL: See Table Prev. Table 16.29 preview 16.29 [General Table] (in PDF or PS) and Table Prev. Table 16.32 preview 16.32 [Table of Energy Levels] (in PDF or PS). Mass of 16Ne: The Q-values of the 20Ne(α, 8He) and 16O(π+, π-) reactions lead to atomic mass excesses of 23.93 ± 0.08 MeV (1978KE06), 23.978 ± 0.024 MeV (1983WO01) and 24.048 ± 0.045 MeV (1980BU15) [recalculated using the (1985WA02) masses for 8He, 16O and 20Ne]. The weighted mean is

  16. A=19F (1978AJ03)

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

    78AJ03) (See Energy Level Diagrams for 19F) GENERAL: See (1972AJ02) and Table 19.6 [Table of Energy Levels] (in PDF or PS). Shell model: (1970FL1A, 1972EN03, 1972GU05, 1972LE13, 1972NE1B, 1973DE13, 1973JU1A, 1973LA1D, 1973MA1K, 1973MC06, 1973MC1E, 1973ME1D, 1973SM1C, 1974CO39, 1975BA81, 1975GA1L, 1975MA1U, 1975SUZR, 1977HA33, 1977SH11). Cluster, collective and rotational models: (1972NE1B, 1973DE06, 1973MC1E, 1973NE1C, 1973RO19, 1976LE19, 1977BU05, 1977HO1F). Electromagnetic transitions:

  17. A=7Be (1984AJ01)

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

    4AJ01) (See Energy Level Diagrams for 7Be) GENERAL: See also (1979AJ01) and Table 7.7 [Table of Energy Levels] (in PDF or PS). Nuclear models: (1978RE1A, 1979WI1B, 1980HA1M, 1981KU13, 1982FI13, 1983WA1M). Astrophysical questions: (1978BU1B, 1979MO04, 1979RA20, 1979RA1C, 1980CA1C, 1980LA1G, 1980WI1M, 1983LI01). Applied work: (1979LA1E, 1982HA1D, 1983HA1W). Complex reactions involving 7Be: (1978DI1A, 1978DU1B, 1978HA40, 1978HE1C, 1979BO22, 1979KA07, 1979LO11, 1979PO10, 1979RA20, 1979SC1D,

  18. A=7He (1984AJ01)

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

    4AJ01) (See the Isobar Diagram for 7He) GENERAL: See also (1979AJ01) and Table 7.1 [Table of Energy Levels] (in PDF or PS). Reactions involving pions: (1978FU09, 1979BA1M, 1979PE1C). Hypernuclei: (1978DA1A, 1978SO1A, 1979BU1C, 1981WA1J, 1982KO11). Other topics: (1979BE1H, 1981AV02, 1982AW02, 1982NG01). 1. 7Li(π-, γ)7He Qm = 128.36 See (1979AJ01). 2. 7Li(n, p)7He Qm = -10.42 At En = 14.8 MeV a proton group is reported corresponding to 7Heg.s.: Γ < 0.2 MeV: see (1979AJ01). See also

  19. 2011 Chevrolet Volt VIN 0815 Plug-In Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Tyler Gray; Matthew Shirk; Jeffrey Wishart

    2013-07-01

    The U.S. Department of Energy (DOE) Advanced Vehicle Testing Activity (AVTA) program consists of vehicle, battery, and infrastructure testing on advanced technology related to transportation. The activity includes tests on plug-in hybrid electric vehicles (PHEVs), including testing the PHEV batteries when both the vehicles and batteries are new and at the conclusion of 12,000 miles of on-road fleet testing. This report documents battery testing performed for the 2011 Chevrolet Volt PHEV (VIN 1G1RD6E48BU100815). The battery testing was performed by the Electric Transportation Engineering Corporation (eTec) dba ECOtality North America. The Idaho National Laboratory and ECOtality North America collaborate on the AVTA for the Vehicle Technologies Program of the DOE.

  20. Atmospheric Pressure Chemical Vapor Deposition of High Silica SiO2-TiO2 Antireflective Thin Films for Glass Based Solar Panels

    SciTech Connect (OSTI)

    Klobukowski, Erik R; Tenhaeff, Wyatt E; McCamy, James; Harris, Caroline; Narula, Chaitanya Kumar

    2013-01-01

    The atmospheric pressure chemical vapor deposition (APCVD) of SiO2-TiO2 thin films employing [[(tBuO)3Si]2O-Ti(OiPr)2], which can be prepared from commercially available materials, results in antireflective thin films on float glass under industrially relevant manufacturing conditions. It was found that while the deposition temperature had an effect on the SiO2:TiO2 ratio, the thickness was dependent on the time of deposition. This study shows that it is possible to use APCVD employing a single source precursor containing titanium and silicon to produce thin films on float glass with high SiO2:TiO2 ratios.

  1. Page

    Gasoline and Diesel Fuel Update (EIA)

    Updated: January 2013 Page 1 APPENDIX A CRUDE STREAM CODES COUNTRY Stream Code Stream Name Gravity Sulfur Abu Dhabi UA008 Al Bunduq 38.5 1.1 UA009 Mubarraz 38.1 0.9 UA010 Murban 40.5 0.8 UA011 Zakum (Lower Zakum/Abu Dhabi Marine) 40.6 1 UA012 Umm Shaif (Abu Dhabi Marine) 37.4 1.5 UA013 Arzanah 44 0 UA018 Abu Al Bu Khoosh 31.6 2 UA020 Murban Bottoms 21.4 NA UA021 Top Murban 21 NA UA022 Upper Zakum 34.4 1.7 UA299 Abu Dhabi Miscellaneous NA NA Algeria AG020 Arzew 44.3 0.1 AG021 Hassi Messaoud 42.8

  2. Synthesis of peptide .alpha.-thioesters

    DOE Patents [OSTI]

    Camarero, Julio A. (Livermore, CA); Mitchell, Alexander R. (Livermore, CA); De Yoreo, James J. (Clayton, CA)

    2008-08-19

    Disclosed herein is a new method for the solid phase peptide synthesis (SPPS) of C-terminal peptide .alpha. thioesters using Fmoc/t-Bu chemistry. This method is based on the use of an aryl hydrazine linker, which is totally stable to conditions required for Fmoc-SPPS. When the peptide synthesis has been completed, activation of the linker is achieved by mild oxidation. The oxidation step converts the acyl-hydrazine group into a highly reactive acyl-diazene intermediate which reacts with an .alpha.-amino acid alkylthioester (H-AA-SR) to yield the corresponding peptide .alpha.-thioester in good yield. A variety of peptide thioesters, cyclic peptides and a fully functional Src homology 3 (SH3) protein domain have been successfully prepared.

  3. Data Mining Techniques to Estimate Plutonium, Initial Enrichment, Burnup, and Cooling Time in Spent Fuel Assemblies

    SciTech Connect (OSTI)

    Trellue, Holly Renee; Fugate, Michael Lynn; Tobin, Stephen Joesph

    2015-03-19

    The Next Generation Safeguards Initiative (NGSI), Office of Nonproliferation and Arms Control (NPAC), National Nuclear Security Administration (NNSA) of the U.S. Department of Energy (DOE) has sponsored a multi-laboratory, university, international partner collaboration to (1) detect replaced or missing pins from spent fuel assemblies (SFA) to confirm item integrity and deter diversion, (2) determine plutonium mass and related plutonium and uranium fissile mass parameters in SFAs, and (3) verify initial enrichment (IE), burnup (BU), and cooling time (CT) of facility declaration for SFAs. A wide variety of nondestructive assay (NDA) techniques were researched to achieve these goals [Veal, 2010 and Humphrey, 2012]. In addition, the project includes two related activities with facility-specific benefits: (1) determination of heat content and (2) determination of reactivity (multiplication). In this research, a subset of 11 integrated NDA techniques was researched using data mining solutions at Los Alamos National Laboratory (LANL) for their ability to achieve the above goals.

  4. Efficient One-Step Electrolytic Recycling of Low-Grade and Post-Consumer Magnesium Scrap

    SciTech Connect (OSTI)

    Adam C. Powell, IV

    2012-07-19

    Metal Oxygen Separation Technologies, Inc. (abbreviated MOxST, pronounced most) and Boston University (BU) have developed a new low-cost process for recycling post-consumer co-mingled and heavily-oxidized magnesium scrap, and discovered a new chemical mechanism for magnesium separations in the process. The new process, designated MagReGenTM, is very effective in laboratory experiments, and on scale-up promises to be the lowest-cost lowest-energy lowest-impact method for separating magnesium metal from aluminum while recovering oxidized magnesium. MagReGenTM uses as little as one-eighth as much energy as today's methods for recycling magnesium metal from comingled scrap. As such, this technology could play a vital role in recycling automotive non-ferrous metals, particularly as motor vehicle magnesium/aluminum ratios increase in order to reduce vehicle weight and increase efficiency.

  5. Synthesis, NMR spectra, and structure of rhodium hydride complexes with Rh-Sn bonds

    SciTech Connect (OSTI)

    Krut'ko, B.P.; Permin, A.B.; Petrosyan, V.S.; Reutov, O.A.

    1985-06-20

    The authors study the hydride complexes using Sn 119 and H 1 NMR spectroscopy. The spectra were taken in a pulse mode on a Varian FT-80A spectrometer equipped with a wideband system at 29.66 and 79.54 MHz. The Sn 119 and H 1 NMR spectral parameters for a solution of the complex (Bu/sub 4/N)/sub 3/ (HRh(SnCl/sub 3/)/sub 5/) in CD/sub 3/CN are shown, the spectra show that the (HRh(SnCl/sub 3/)/sub 5/)/sup 3 -/ anion has octahedral structure with four equatorial and one axial Rh-Sn bonds. New rhodium hydride complexes with general formula (R/sub 4/N)/sub 3/(HRh(SnCl/sub 3/)/sub 5/) were synthesized.

  6. I

    Office of Legacy Management (LM)

    ?am-3 . ,' .*. . - yp: -.* : .- ., ._ ' Yi * <. ? :+". thfa prcbputir. 80,UUU lb. of tmmiuu, J.m,cDu lb. of 3wukdlw crper' tiwu 5.8 t&i8 l atr:irur ral u&d i.Wttd&?# Bir;n8 i;orammant end rUl rid nrtrlcial by uo&utboFlwd putqlm. ). The ~&&a, ' 8m ;altielJ 79 p-rmlt arrgora ted and ttw tap t.ha aikalini~, . L pokotlal brlf)r, bU88M 8-i .ii.i co# sat8 awtaet wltb the mBtmtl8a. aada q*iast fb a8v0-*..u @ow +.ta p-?Y h&al. . .; . ' 6 G.. ..*... . ,,z.. ,. ..*,::

  7. A Singular Differential Equation Stemming from an Optimal Control Problem in Financial Economics

    SciTech Connect (OSTI)

    Brunovsky, Pavol; Cerny, Ales; Winkler, Michael

    2013-10-15

    We consider the ordinary differential equation x{sup 2} u'' = axu'+bu-c(u'-1){sup 2}, x Element-Of (0,x{sub 0}), with a Element-Of R, b Element-Of R , c>0 and the singular initial condition u(0)=0, which in financial economics describes optimal disposal of an asset in a market with liquidity effects. It is shown in the paper that if a+b<0 then no continuous solutions exist, whereas if a+b>0 then there are infinitely many continuous solutions with indistinguishable asymptotics near 0. Moreover, it is proved that in the latter case there is precisely one solution u corresponding to the choice x{sub 0}={infinity} which is such that 0{<=}u(x){<=}x for all x>0, and that this solution is strictly increasing and concave.

  8. HEALTH AhO SAFETY DIVISION Industrial Hygiene or Medical Dept.

    Office of Legacy Management (LM)

    ALYTICAL DATA SHEET ANALYTICAL DEPT. - HEALTH AhO SAFETY DIVISION Industrial Hygiene or Medical Dept. m 1956 w I. H.# 7g2 Semplb Nos l2 Date Collected- 512 by RlX -----Route to EA LocetionKN(U[YTr-r-ETyp of Sample ~hd%---Analyzed for F Alphaxx Rema&mre t&n from the furnace and from U= Beta JOC slap ladles. No, Ro Oil PH Be Th Nc0 NO 8506 BcA-j &A- ii \JC cL"w-- Anolyticol Chemistry Secrion: Date Received--!b4-56 by Lab* Date Reported 6-X-66 bu I&b , Method of Analyair

  9. Simonis Sa7; and Steel. Company Occu?atisnal Exposure to Radioactive Eust

    Office of Legacy Management (LM)

    pff!' ;-g / (. _ ' /' :ze Simonis Sa7; and Steel. Company . Occu?atisnal Exposure to Radioactive Eust STisit 0' Cctober 27, 1948 by LL%AEC, NY-00 -.- .^ -___ .~.~ .___--.__ y ii . 8;' ' j _ ii* .$@!w- mqa yq 1 -9. c--t c! ;i.s -1 .;- 8. ,3' .$ !, ., ,:' S ' -4 - ;,.j j ;j Y 3 :;.% ,y :; -' ,C-, .,.; sL;./, &j ;d J .&; i: 7;: j:c; G Lj _ , ,.A: :' .i TIiBU OP cc>:m;~s A,. P*zyoaa of rbpo*rt 3, iitzm iLt=P 02 St-&J c* zz@fi&. of s+xdy I, op~~",io~b IIzrp~ii~ 3t xo11ing

  10. Nucleophilic fluorination of aromatic compounds

    DOE Patents [OSTI]

    Satyamurthy, Nagichettiar; Barrio, Jorge R

    2014-03-18

    Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO.sub.2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me.sub.4NF, Et.sub.4NF, n-Bu.sub.4NF, (PhCH.sub.2).sub.4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  11. Impacts of Mid-level Biofuel Content in Gasoline on SIDI Engine-Out and Tailpipe Particulate Matter Emissions: Preprint

    SciTech Connect (OSTI)

    He, X.; Ireland, J. C.; Zigler, B. T.; Ratcliff, M. A.; Knoll, K. E.; Alleman, T. L.; Tester, J. T.

    2011-02-01

    The influences of ethanol and iso-butanol blended with gasoline on engine-out and post Three-Way Catalyst (TWC) particle size distribution and number concentration were studied using a GM 2.0L turbocharged Spark Ignition Direct Injection (SIDI) engine. The engine was operated using the production ECU with a dynamometer controlling the engine speed and the accelerator pedal position controlling the engine load. A TSI Fast Mobility Particle Sizer (FMPS) spectrometer was used to measure the particle size distribution in the range from 5.6 to 560 nm with a sampling rate of 1 Hz. US federal certification gasoline (E0), two ethanol-blended fuels (E10 and E20), and 11.7% iso-butanol blended fuel (BU12) were tested. Measurements were conducted at ten selected steady-state engine operation conditions. Bi-modal particle size distributions were observed for all operating conditions with peak values at particle sizes of 10 nm and 70 nm. Idle and low speed / low load conditions emitted higher total particle numbers than other operating conditions. At idle, the engine-out Particulate Matter (PM) emissions were dominated by nucleation mode particles, and the production TWC reduced these nucleation mode particles by more than 50%, while leaving the accumulation mode particle distribution unchanged. At engine load higher than 6 bar NMEP, accumulation mode particles dominated the engine-out particle emissions and the TWC had little effect. Compared to the baseline gasoline (E0), E10 does not significantly change PM emissions, while E20 and BU12 both reduce PM emissions under the conditions studied. Iso-butanol was observed to impact PM emissions more than ethanol, with up to 50% reductions at some conditions. In this paper, the issues related to PM measurement using FMPS are also discussed. While some uncertainties are due to engine variation, the FMPS must be operated under careful maintenance procedures in order to achieve repeatable measurement results.

  12. Development and Pilot Manufacture of Pseudo-Electric Double Layer Capacitors

    SciTech Connect (OSTI)

    Dae Young Jung,

    2011-01-26

    Binghamton University carried out basic studies on thermal characteristics of the current ELDC design and characterization of current active and conductive carbon materials used to fabricate ELDC and p-ELDC. Multi physics approach was take for thermal modeling to understand the temperature distribution of an individual cell as well as multi-cell systems, which is an important factor to the reliability of ELDC?s and p-ELDC?s. Structure and properties were characterized for various raw active carbon materials which can be used as electrode to look into potential cost reduction opportunity without degrading the performance. BU team also performed experiments for compositional optimization studies for active carbon, conductive carbon, and binder formulation. A few laboratory instruments were installed for this project at BU. These instruments will continued to be used to carry out further research and development tasks relevant to ELDC and p-ELDC. Project subawardee, Ioxus, Inc., successfully created, enhanced, and then generated a product line of hybrid capacitors which now range in size from 220 Farads (F) to 1000F. These products have been proven to work as the primary energy storage method for LED lighting applications, and two significant commercial applications are evaluating these devices for use. Both of these applications will be used in LED lighting, which replaces traditional batteries and allows for a very fast charge and a high cycle life, over a wide temperature range. This will lead to a significant reduction of waste that ends up in landfills. These products are 70% recyclable, with a 10 year life. In one both applications, it is expected that the hybrid capacitor will power the LED lights for the life of the product, which would have required at least 10 battery changes.

  13. MicroRNA Regulation of Ionizing Radiation-Induced Premature Senescence

    SciTech Connect (OSTI)

    Wang Yong; Scheiber, Melissa N.; Neumann, Carola; Calin, George A.; Zhou Daohong

    2011-11-01

    Purpose: MicroRNAs (miRNAs) have emerged as critical regulators of many cellular pathways. Ionizing radiation (IR) exposure causes DNA damage and induces premature senescence. However, the role of miRNAs in IR-induced senescence has not been well defined. Thus, the purpose of this study was to identify and characterize senescence-associated miRNAs (SA-miRNAs) and to investigate the role of SA-miRNAs in IR-induced senescence. Methods and Materials: In human lung (WI-38) fibroblasts, premature senescence was induced either by IR or busulfan (BU) treatment, and replicative senescence was accomplished by serial passaging. MiRNA microarray were used to identify SA-miRNAs, and real-time reverse transcription (RT)-PCR validated the expression profiles of SA-miRNAs in various senescent cells. The role of SA-miRNAs in IR-induced senescence was characterized by knockdown of miRNA expression, using anti-miRNA oligonucleotides or by miRNA overexpression through the transfection of pre-miRNA mimics. Results: We identified eight SA-miRNAs, four of which were up-regulated (miR-152, -410, -431, and -493) and four which were down-regulated (miR-155, -20a, -25, and -15a), that are differentially expressed in both prematurely senescent (induced by IR or BU) and replicatively senescent WI-38 cells. Validation of the expression of these SA-miRNAs indicated that down-regulation of miR-155, -20a, -25, and -15a is a characteristic miRNA expression signature of cellular senescence. Functional analyses revealed that knockdown of miR-155 or miR-20a, but not miR-25 or miR-15a, markedly enhanced IR-induced senescence, whereas ectopic overexpression of miR-155 or miR-20a significantly inhibited senescence induction. Furthermore, our studies indicate that miR-155 modulates IR-induced senescence by acting downstream of the p53 and p38 mitogen-activated protein kinase (MAPK) pathways and in part via regulating tumor protein 53-induced nuclear protein 1 (TP53INP1) expression. Conclusion: Our results suggest that SA-miRNAs are involved in the regulation of IR-induced senescence, so targeting these miRNAs may be a novel approach for modulating cellular response to radiation exposure.

  14. Photonics Research and Development

    SciTech Connect (OSTI)

    Pookpanratana, Sujitra; Shlayan, Neveen; Venkat, Rama; Das, Bisjwajit; Boehm, Bob; Heske, Clemens; Fraser, Donald; Moustakas, Theodore

    2010-01-15

    During the period August 2005 through October 2009, the UNLV Research Foundation (UNLVRF), a non-profit affiliate of the University of Nevada, Las Vegas (UNLV), in collaboration with UNLV??s Colleges of Science and Engineering; Boston University (BU); Oak Ridge National Laboratory (ORNL); and Sunlight Direct, LLC, has managed and conducted a diverse and comprehensive research and development program focused on light-emitting diode (LED) technologies that provide significantly improved characteristics for lighting and display applications. This final technical report provides detailed information on the nature of the tasks, the results of the research, and the deliverables. It is estimated that about five percent of the energy used in the nation is for lighting homes, buildings and streets, accounting for some 25 percent of the average home??s electric bill. However, the figure is significantly higher for the commercial sector. About 60 percent of the electricity for businesses is for lighting. Thus replacement of current lighting with solid-state lighting technology has the potential to significantly reduce this nation??s energy consumption ?? by some estimates, possibly as high as 20%. The primary objective of this multi-year R&D project has been to develop and advance lighting technologies to improve national energy conversion efficiencies; reduce heat load; and significantly lower the cost of conventional lighting technologies. The UNLVRF and its partners have specifically focused these talents on (1) improving LED technologies; (2) optimizing hybrid solar lighting, a technology which potentially offers the benefits of blending natural with artificial lighting systems, thus improving energy efficiency; and (3) building a comprehensive academic infrastructure within UNLV which concentrates on photonics R&D. Task researchers have reported impressive progress in (1) the development of quantum dot laser emitting diodes (QDLEDs) which will ultimately improve energy efficiency and lower costs for display and lighting applications (UNLV College of Engineering); (2) advancing green LED technology based on the Indium-Gallium-Nitride system (BU), thus improving conversion efficiencies; (3) employing unique state-of-the-art X-ray, electron and optical spectroscopies with microscopic techniques to learn more about the electronic structure of materials and contacts in LED devices (UNLV College of Science); (4) establishing a UNLV Display Lighting Laboratory staffed with a specialized team of academic researchers, students and industrial partners focused on identifying and implementing engineering solutions for lighting display-related problems; and (5) conducting research, development and demonstration for HSL essential to the resolution of technological barriers to commercialization.

  15. Experimental Systems-Biology Approaches for Clostridia-Based Bioenergy Production

    SciTech Connect (OSTI)

    Papoutsakis, Elefterios

    2015-04-30

    This is the final project report for project "Experimental Systems-Biology Approaches for Clostridia-Based Bioenergy Production" for the funding period of 9/1/12 to 2/28/2015 (three years with a 6-month no-cost extension) OVERVIEW AND PROJECT GOALS The bottleneck of achieving higher rates and titers of toxic metabolites (such as solvents and carboxylic acids that can used as biofuels or biofuel precursors) can be overcome by engineering the stress response system. Thus, understanding and modeling the response of cells to toxic metabolites is a problem of great fundamental and practical significance. In this project, our goal is to dissect at the molecular systems level and build models (conceptual and quantitative) for the stress response of C. acetobutylicum (Cac) to its two toxic metabolites: butanol (BuOH) and butyrate (BA). Transcriptional (RNAseq and microarray based), proteomic and fluxomic data and their analysis are key requirements for this goal. Transcriptional data from mid-exponential cultures of Cac under 4 different levels of BuOH and BA stress was obtained using both microarrays (Papoutsakis group) and deep sequencing (RNAseq; Meyers and Papoutsakis groups). These two sets of data do not only serve to validate each other, but are also used for identification of stress-induced changes in transcript levels, small regulatory RNAs, & in transcriptional start sites. Quantitative proteomic data (Lee group), collected using the iTRAQ technology, are essential for understanding of protein levels and turnover under stress and the various protein-protein interactions that orchestrate the stress response. Metabolic flux changes (Antoniewicz group) of core pathways, which provide important information on the re-allocation of energy and carbon resources under metabolite stress, were examined using 13C-labelled chemicals. Omics data are integrated at different levels and scales. At the metabolic-pathway level, omics data are integrated into a 2nd generation genome-scale model (GSM) (Maranas group). Omics data are also integrated using bioinformatics (Wu and Huang group), whereby regulatory details of gene and protein expression, protein-protein interactions and metabolic flux regulation are incorporated. The PI (Papoutsakis) facilitated project integration through monthly meeting and reports, conference calls, and collaborative manuscript preparation. The five groups collaborated extensively and made a large number of presentations in national and international meetings. It has also published several papers, with several more in the preparation stage. Several PhD, MS and postdoctoral students were trained as part of this collaborative and interdisciplinary project.

  16. Electrochemical Oxidation of H? Catalyzed by Ruthenium Hydride Complexes Bearing P?N? Ligands With Pendant Amines as Proton Relays

    SciTech Connect (OSTI)

    Liu, Tianbiao L.; Rakowski DuBois, Mary; DuBois, Daniel L.; Bullock, R. Morris

    2014-01-01

    Two Ru hydride complexes (Cp*Ru(PPh?NBn?)H, (1-H) and Cp*Ru(PtBu?NBn?)H, (2-H) supported by cyclic PR?NR'? ligands (Cp* = n?-C?Me?; 1,5-diaza-3,7-diphosphacyclooctane, where R = Ph or tBu and R' = Bn) have been synthesized and fully characterized. Both complexes are demonstrated to be electrocatalysts for oxidation of H? (1 atm, 22 C) in the presence of external base, DBU (1,8-diazabicyclo[5.4.0]undec-7-ene). The turnover frequency of 2-H is 1.2 s-1, with an overpotential at Ecat/2 of 0.45 V, while catalysis by 1-H has a turnover frequency of 0.6 s-1 and an overpotential of 0.6 V at Ecat/2. Addition of H?O facilitates oxidation of H? by 2-H and increases its turnover frequency to 1.9 s-1 while , H?O slows down the catalysis by 1-H. The different effects of H?O for 1-H and 2-H are ascribed to different binding affinities of H?O to the Ru center of the corresponding unsaturated species, [Cp*Ru(PPh?NBn?)]+ and [Cp*Ru(PPh?NBn?)]+. In addition, studies of Cp*Ru(dmpm)H (where dmpm = bis(dimethylphosphino)methane), a control complex lacking pendent amines in its diphosphine ligand, confirms the critical roles of the pendent amines of P?N? ligands for oxidation of H?. We thank the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, for supporting initial parts of the work. Current work is supported by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  17. Alkane functionalization at ([mu]-Oxo)diiron(III) centers

    SciTech Connect (OSTI)

    Leising, R.A.; Kim, J.; Perez, M.A.; Que, L. Jr. )

    1993-10-20

    The reactivity of ([mu]-oxo)diferric complexes with [sup t]BuOOH (TBHP) for the functionalization of alkanes in CH[sub 3]CN has been investigated as part of our efforts to model dinuclear sites in nonheme iron enzymes. [Fe[sub 2](TPA)[sub 2]O(OAc)](CIO[sub 4])[sub 3] (1) (TPA = tris(2-pyridylmethyl)amine, OAc = acetate) is an efficient catalyst for cyclohexane oxidation, affording cyclohexanol (A, 9 equiv), cyclohexanone (K, 11 equiv), and (tert-butylperoxy)cyclohexane (P, 16 equiv) in 0.25 h at ambient temperature and pressure under an argon atmosphere. The catalyst is remarkably robust, as indicated by the [sup 1]H NMR and UV-vis spectra of the reaction mixture during the catalytic reaction and by its ability to maintain its turnover efficiency with subsequent additions of oxidant. The catalytic mechanism for TBHP utilization was explored by observing the effects of varying the tripodal ligands on the ([mu]-oxo)([mu]-carboxylato)diferric catalysts and varying the bridge on Fe[sub 2]O(TPA)[sub 2] catalysts. The (A + K)/P ratio increased as the ligands became more electron donating. Solvent also played an important role in determining the partitioning of products between A + K and P, with benzonitrile favoring hydroxylated products at the expense of P and pyridine having the opposite effect. 49 refs., 2 figs., 3 tabs.

  18. 3H Cross Section

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

    3H(α, X) (Current as of 02/01/2016) NSR Reaction Eα (MeV) Cross Section File X4 Dataset Date Added 2001TO07 3H(α, γ): deduced S-factor Ecm = 0.05 - 0.8 X4 01/09/2012 1994BR25 3H(α, γ): deduced σ and S-factor Ecm = 50 - 1200 keV X4 01/09/2012 1987SC18 3H(α, γ): σ, deduced S-factor Ecm = 79 - 464 keV X4 01/09/2012 1988SA13 3H(α, α): recoil σ 0.5 - 2.5 X4 01/09/2012 1987BU18 3H(α, γ): σ and S-factor 0.7 - 2 X4 01/09/2012 1968IV01 3H(α, α): elastic scattering σ 3 - 11 Table 9 X4

  19. Air Shipment of Highly Enriched Uranium Spent Nuclear Fuel from Romania

    SciTech Connect (OSTI)

    K. J. Allen; I. Bolshinsky; L. L. Biro; M. E. Budu; N. V. Zamfir; M. Dragusin

    2010-07-01

    Romania safely air shipped 23.7 kilograms of Russian origin highly enriched uranium (HEU) spent nuclear fuel from the VVR S research reactor at Magurele, Romania, to the Russian Federation in June 2009. This was the worlds first air shipment of spent nuclear fuel transported in a Type B(U) cask under existing international laws without special exceptions for the air transport licenses. This shipment was coordinated by the Russian Research Reactor Fuel Return Program (RRRFR), part of the U.S. Department of Energy Global Threat Reduction Initiative (GTRI), in cooperation with the Romania National Commission for Nuclear Activities Control (CNCAN), the Horia Hulubei National Institute of Physics and Nuclear Engineering (IFIN-HH), and the Russian Federation State Corporation Rosatom. The shipment was transported by truck to and from the respective commercial airports in Romania and the Russian Federation and stored at a secure nuclear facility in Russia where it will be converted into low enriched uranium. With this shipment, Romania became the 3rd country under the RRRFR program and the 14th country under the GTRI program to remove all HEU. This paper describes the work, equipment, and approvals that were required to complete this spent fuel air shipment.

  20. EsxB, a secreted protein from Bacillus anthracis forms two distinct helical bundles

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

    Fan, Yao; Tan, Kemin; Chhor, Gekleng; Butler, Emily K.; Jedrzejczak, Robert P.; Missiakas, Dominique; Joachimiak, Andrzej

    2015-07-03

    The EsxB protein from Bacillus anthracis belongs to the WXG100 family, a group of proteins secreted by a specialized secretion system. We have determined the crystal structures of recombinant EsxB and discovered that the small protein (~10 kDa), comprised of a helix-loop-helix (HLH) hairpin, is capable of associating into two different helical bundles. The two basic quaternary assemblies of EsxB are an antiparallel (AP) dimer and a rarely observed bisecting U (BU) dimer. This structural duality of EsxB is believed to originate from the heptad repeat sequence diversity of the first helix of its HLH hairpin, which allows for twomore » alternative helix packing. The flexibility of EsxB and the ability to form alternative helical bundles underscore the possibility that this protein can serve as an adaptor in secretion and can form hetero-oligomeric helix bundle(s) with other secreted members of the WXG100 family, such as EsxW. The highly conserved WXG motif is located within the loop of the HLH hairpin and is mostly buried within the helix bundle suggesting that its role is mainly structural. The exact functions of the motif, including a proposed role as a secretion signal, remain unknown.« less

  1. Development of a Novel Bi-Directional Isolated Multiple-Input DC-DC Converter

    SciTech Connect (OSTI)

    Li, H.

    2005-10-24

    There is vital need for a compact, lightweight, and efficient energy-storage system that is both affordable and has an acceptable cycle life for the large-scale production of electric vehicles (EVs) and hybrid electric vehicles (HEVs). Most of the current research employs a battery-storage unit (BU) combined with a fuel cell (FC) stack in order to achieve the operating voltage-current point of maximum efficiency for the FC system. A system block diagram is shown in Fig.1.1. In such a conventional arrangement, the battery is sized to deliver the difference between the energy required by the traction drive and the energy supplied by the FC system. Energy requirements can increase depending on the drive cycle over which the vehicle is expected to operate. Peak-power transients result in an increase of losses and elevated temperatures which result in a decrease in the lifetime of the battery. This research will propose a novel two-input direct current (dc) dc to dc converter to interface an additional energy-storage element, an ultracapacitor (UC), which is shown in Fig.1.2. It will assist the battery during transients to reduce the peak-power requirements of the battery.

  2. Low-temperature CVD of iron, cobalt, and nickel nitride thin films from bis[di(tert-butyl)amido]metal(II) precursors and ammonia

    SciTech Connect (OSTI)

    Cloud, Andrew N.; Abelson, John R., E-mail: abelson@illinois.edu [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, 201 Materials Science and Engineering Building, 1304 W. Green St., Urbana, Illinois 61801 (United States); Davis, Luke M.; Girolami, Gregory S., E-mail: girolami@scs.illinois.edu [School of Chemical Sciences, University of Illinois at Urbana-Champaign, 600 S. Mathews Ave., Urbana, Illinois 61801 (United States)

    2014-03-15

    Thin films of late transition metal nitrides (where the metal is iron, cobalt, or nickel) are grown by low-pressure metalorganic chemical vapor deposition from bis[di(tert-butyl)amido]metal(II) precursors and ammonia. These metal nitrides are known to have useful mechanical and magnetic properties, but there are few thin film growth techniques to produce them based on a single precursor family. The authors report the deposition of metal nitride thin films below 300?C from three recently synthesized M[N(t-Bu){sub 2}]{sub 2} precursors, where M?=?Fe, Co, and Ni, with growth onset as low as room temperature. Metal-rich phases are obtained with constant nitrogen content from growth onset to 200?C over a range of feedstock partial pressures. Carbon contamination in the films is minimal for iron and cobalt nitride, but similar to the nitrogen concentration for nickel nitride. X-ray photoelectron spectroscopy indicates that the incorporated nitrogen is present as metal nitride, even for films grown at the reaction onset temperature. Deposition rates of up to 18?nm/min are observed. The film morphologies, growth rates, and compositions are consistent with a gas-phase transamination reaction that produces precursor species with high sticking coefficients and low surface mobilities.

  3. Pressure-dependent magnetism and electrical resistivity of UFe/sub 4/P/sub 12/

    SciTech Connect (OSTI)

    Guertin, R.P.; Rossel, C.; Torikachvili, M.S.; McElfresh, M.W.; Maple, M.B.; Bloom, S.H.; Yao, Y.S.; Kuric, M.V.; Meisner, G.P.

    1987-12-01

    UFe/sub 4/P/sub 12/ is the first reported uranium-based ferromagnetic semiconductor. The Curie temperature T/sub C/ is 3.15 K, and the spontaneous magnetic moment sigma/sub 0/ which at T = 1.14 K was found to be approx. =1.0 ..mu../sub B//(U atom), is associated entirely with the uranium ions. The electrical resistivity rho(T) increases by nearly 7 orders of magnitude as temperature is decreased from room temperature to 4.2 K. The behavior of the ferromagnetic and electrical properties of UFe/sub 4/P/sub 12/ in hydrostatic pressures up to 16 kbar is reported. Quasihydrostatic-pressure effects on rho(T) to 100 kbar are also reported. Although T/sub C/ increases sharply with increasing pressure at the rate dT/sub C//dP = 0.26 K/kbar (in contrast to similar data on the isomorphic ferromagnet NdFe/sub 4/P/sub 12/, where dT/sub C//dP = 0.03 K/kbar), sigma/sub 0/ decreases, (1/sigma/sub 0/)(dsigma/sub 0//dp) = -0.007 kbar/sup -1/. Hydrostatic and quasihydrostatic pressure have little effect on rho(T).

  4. Electrodeposition From Acidic Solutions of Nickel Bis(benzenedithiolate) Produces a Hydrogen-Evolving Ni-S Film on Glassy Carbon

    SciTech Connect (OSTI)

    Fang, Ming; Engelhard, Mark H.; Zhu, Zihua; Helm, Monte L.; Roberts, John A.

    2014-01-03

    Films electrodeposited onto glassy carbon electrodes from acidic acetonitrile solutions of [Bu4N][Ni(bdt)2] (bdt = 1,2-benzenedithiolate) are active toward electrocatalytic hydrogen production at potentials 0.2-0.4 V positive of untreated electrodes. This activity is preserved on rinsing the electrode and transfer to fresh acid solution. X-ray photoelectron spectra indicate that the deposited material contains Ni and S. Correlations between voltammetric and spectroscopic results indicate that the deposited material is active, i.e. that catalysis is heterogeneous rather than homogeneous. Control experiments establish that obtaining the observed catalytic response requires both Ni and the 1,2 benzenedithiolate ligand to be present during deposition. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. A portion of the research was performed using EMSL, a 17 national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  5. LANDSCAPE MANAGEMENT FOR SUSTAINABLE SUPPLIES OF BIOENERGY FEEDSTOCK AND ENHANCED SOIL QUALITY

    SciTech Connect (OSTI)

    Douglas L. Karlen; David J. Muth, Jr.

    2012-09-01

    Agriculture can simultaneously address global food, feed, fiber, and energy challenges provided our soil, water, and air resources are not compromised in doing so. As we embark on the 19th Triennial Conference of the International Soil and Tillage Research Organization (ISTRO), I am pleased to proclaim that our members are well poised to lead these endeavors because of our comprehensive understanding of soil, water, agricultural and bio-systems engineering processes. The concept of landscape management, as an approach for integrating multiple bioenergy feedstock sources, including biomass residuals, into current crop production systems, is used as the focal point to show how these ever-increasing global challenges can be met in a sustainable manner. Starting with the 2005 Billion Ton Study (BTS) goals, research and technology transfer activities leading to the 2011 U.S. Department of Energy (DOE) Revised Billion Ton Study (BT2) and development of a residue management tool to guide sustainable crop residue harvest will be reviewed. Multi-location USDA-Agricultural Research Service (ARS) Renewable Energy Assessment Project (REAP) team research and on-going partnerships between public and private sector groups will be shared to show the development of landscape management strategies that can simultaneously address the multiple factors that must be balanced to meet the global challenges. Effective landscape management strategies recognize the importance of natures diversity and strive to emulate those conditions to sustain multiple critical ecosystem services. To illustrate those services, the soil quality impact of harvesting crop residues are presented to show how careful, comprehensive monitoring of soil, water and air resources must be an integral part of sustainable bioenergy feedstock production systems. Preliminary analyses suggest that to sustain soil resources within the U.S. Corn Belt, corn (Zea mays L.) stover should not be harvested if average grain yields are less than 11 Mg ha-1 (175 bu ac-1) unless more intensive landscape management practices are implemented. Furthermore, although non-irrigated corn grain yields east and west of the primary Corn Belt may not consistently achieve the 11 Mg ha-1 yield levels, corn can still be part of an overall landscape approach for sustainable feedstock production. Another option for producers with consistently high yields (> 12.6 Mg ha-1 or 200 bu ac-1) that may enable them to sustainably harvest even more stover is to decrease their tillage intensity which will reduce fuel use, preserve rhizosphere carbon, and/or help maintain soil structure and soil quality benefits often attributed to no-till production systems. In conclusion, I challenge all ISTRO scientists to critically ask if your research is contributing to improved soil and crop management strategies that effectively address the complexity associated with sustainable food, feed, fiber and fuel production throughout the world.

  6. A faux hawk fullerene with PCBM-like properties

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

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, Shihu; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue B.; et al

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 °C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion ofmore » 1 to 2 occurred within minutes, or hours, at 25 °C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic C–F bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield x mobility values for organic photovoltaic active-layer-type blends of 2 and poly-3-hexylthiophene (P3HT) were comparable to those for equimolar blends of PCBM and P3HT. The structure of solvent-free crystals of 2 was determined by single-crystal X-ray diffraction. The number of nearest-neighbor fullerene–fullerene interactions with centroid∙∙∙centroid (⊙∙∙∙⊙) distances of ≤ 10.34 Å is significantly greater, and the average ⊙∙∙∙⊙ distance is shorter, for 2 (10 nearest neighbors; ave. ⊙∙∙∙⊙ distance = 10.09 Å) than for solvent-free crystals of PCBM (7 nearest neighbors; ave. ⊙∙∙∙⊙ distance = 10.17 Å). Finally, the thermal stability of 2 was found to be far greater than that of PCBM.« less

  7. A faux hawk fullerene with PCBM-like properties

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

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H.M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; et al

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 °C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion ofmore » 1 to 2 occurred within minutes, or hours, at 25 °C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic C–F bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield × mobility values for organic photovoltaic active-layer-type blends of 2 and poly-3-hexylthiophene (P3HT) were comparable to those for equimolar blends of PCBM and P3HT. The structure of solvent-free crystals of 2 was determined by single-crystal X-ray diffraction. The number of nearest-neighbor fullerene–fullerene interactions with centroid···centroid (⊙···⊙) distances of ≤10.34 Å is significantly greater, and the average ⊙···⊙ distance is shorter, for 2 (10 nearest neighbors; ave. ⊙···⊙ distance = 10.09 Å) than for solvent-free crystals of PCBM (7 nearest neighbors; ave. ⊙···⊙ distance = 10.17 Å). Finally, the thermal stability of 2 was found to be far greater than that of PCBM.« less

  8. A faux hawk fullerene with PCBM-like properties

    SciTech Connect (OSTI)

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, Shihu; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue B.; Boltalina, Olga V.; Strauss, Steven H.

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion of 1 to 2 occurred within minutes, or hours, at 25 C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic CF bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield x mobility values for organic photovoltaic active-layer-type blends of 2 and poly-3-hexylthiophene (P3HT) were comparable to those for equimolar blends of PCBM and P3HT. The structure of solvent-free crystals of 2 was determined by single-crystal X-ray diffraction. The number of nearest-neighbor fullerenefullerene interactions with centroid???centroid (?????) distances of ? 10.34 is significantly greater, and the average ????? distance is shorter, for 2 (10 nearest neighbors; ave. ????? distance = 10.09 ) than for solvent-free crystals of PCBM (7 nearest neighbors; ave. ????? distance = 10.17 ). Finally, the thermal stability of 2 was found to be far greater than that of PCBM.

  9. A faux hawk fullerene with PCBM-like properties

    SciTech Connect (OSTI)

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H.M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion of 1 to 2 occurred within minutes, or hours, at 25 C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic CF bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield mobility values for organic photovoltaic active-layer-type blends of 2 and poly-3-hexylthiophene (P3HT) were comparable to those for equimolar blends of PCBM and P3HT. The structure of solvent-free crystals of 2 was determined by single-crystal X-ray diffraction. The number of nearest-neighbor fullerenefullerene interactions with centroidcentroid (??) distances of ?10.34 is significantly greater, and the average ?? distance is shorter, for 2 (10 nearest neighbors; ave. ?? distance = 10.09 ) than for solvent-free crystals of PCBM (7 nearest neighbors; ave. ?? distance = 10.17 ). Finally, the thermal stability of 2 was found to be far greater than that of PCBM.

  10. De novo synthesis and properties of analogues of the self-assembling chlorosomal bacteriochlorophylls

    SciTech Connect (OSTI)

    Mass, Olga [North Carolina State Univ., Raleigh, NC (United States); Pandithavidana, Dinesh R. [North Carolina State Univ., Raleigh, NC (United States); Ptaszek, Marcin [North Carolina State Univ., Raleigh, NC (United States); Santiago, Koraliz [North Carolina State Univ., Raleigh, NC (United States); Springer, Joseph W. [Washington Univ., St. Louis, MO (United States); Jiao, Jieying [Univ. Of California, Riverside, CA (United States); Tang, Qun [Univ. Of California, Riverside, CA (United States); Kirmaier, Christine [Washington Univ., St. Louis, MO (United States); Bocian, David F. [Univ. Of California, Riverside, CA (United States); Holten, Dewey [Washington Univ., St. Louis, MO (United States); Lindsey, Jonathan S. [North Carolina State Univ., Raleigh, NC (United States)

    2011-01-01

    Natural photosynthetic pigments bacteriochlorophyllsc, d and e in green bacteria undergo self-assembly to create an organized antenna system known as the chlorosome, which collects photons and funnels the resulting excitation energy toward the reaction centers. Mimicry of chlorosome function is a central problem in supramolecular chemistry and artificial photosynthesis, and may have relevance for the design of photosynthesis-inspired solar cells. The main challenge in preparing artificial chlorosomes remains the synthesis of the appropriate pigment (chlorin) equipped with a set of functional groups suitable to direct the assembly and assure efficient energy transfer. Prior approaches have entailed derivatization of porphyrins or semisynthesis beginning with chlorophylls. This paper reports a third approach, the de novo synthesis of macrocycles that contain the same hydrocarbon skeleton as chlorosomal bacteriochlorophylls. The synthesis here of Zn(II) 3-(1-hydroxyethyl)-10-aryl-13-oxophorbines (the aryl group consists of phenyl, mesityl, or pentafluorophenyl) entails selective bromination of a 3,13-diacetyl-10-arylchlorin, palladium-catalyzed 13-oxophorbine formation, and selective reduction of the 3-acetyl group using BH?tBuNH?. Each macrocycle contains a geminal dimethyl group in the pyrroline ring to provide stability toward adventitious dehydrogenation. A Zn(II) 7-(1-hydroxyethyl)-10-phenyl-17-oxochlorin also has been prepared. Altogether, 30 new hydroporphyrins were synthesized. The UV-Vis absorption spectra of the new chlorosomal bacteriochlorophyll mimics reveal a bathochromic shift of [similar]1800 cm-1 of the Qy band in nonpolar solvent, indicating extensive assembly in solution. The Zn(II) 3-(1-hydroxyethyl)-10-aryl-13-oxophorbines differ in the propensity to form assemblies based on the 10-substituent in the following order: mesityl

  11. AIR SHIPMENT OF HIGHLY ENRICHED URANIUM SPENT NUCLEAR FUEL FROM ROMANIA AND LIBYA

    SciTech Connect (OSTI)

    Christopher Landers; Igor Bolshinsky; Ken Allen; Stanley Moses

    2010-07-01

    In June 2009 Romania successfully completed the worlds first air shipment of highly enriched uranium (HEU) spent nuclear fuel transported in Type B(U) casks under existing international laws and without special exceptions for the air transport licenses. Special 20-foot ISO shipping containers and cask tiedown supports were designed to transport Russian TUK 19 shipping casks for the Romanian air shipment and the equipment was certified for all modes of transport, including road, rail, water, and air. In December 2009 Libya successfully used this same equipment for a second air shipment of HEU spent nuclear fuel. Both spent fuel shipments were transported by truck from the originating nuclear facilities to nearby commercial airports, were flown by commercial cargo aircraft to a commercial airport in Yekaterinburg, Russia, and then transported by truck to their final destinations at the Production Association Mayak facility in Chelyabinsk, Russia. Both air shipments were performed under the Russian Research Reactor Fuel Return Program (RRRFR) as part of the U.S. National Nuclear Security Administration (NNSA) Global Threat Reduction Initiative (GTRI). The Romania air shipment of 23.7 kg of HEU spent fuel from the VVR S research reactor was the last of three HEU fresh and spent fuel shipments under RRRFR that resulted in Romania becoming the 3rd RRRFR participating country to remove all HEU. Libya had previously completed two RRRFR shipments of HEU fresh fuel so the 5.2 kg of HEU spent fuel air shipped from the IRT 1 research reactor in December made Libya the 4th RRRFR participating country to remove all HEU. This paper describes the equipment, preparations, and license approvals required to safely and securely complete these two air shipments of spent nuclear fuel.

  12. Novel Characterization of GDI Engine Exhaust for Gasoline and Mid-Level Gasoline-Alcohol Blends

    SciTech Connect (OSTI)

    Storey, John Morse; Lewis Sr, Samuel Arthur; Szybist, James P; Thomas, John F; Barone, Teresa L; Eibl, Mary A; Nafziger, Eric J; Kaul, Brian C

    2014-01-01

    Gasoline direct injection (GDI) engines can offer improved fuel economy and higher performance over their port fuel-injected (PFI) counterparts, and are now appearing in increasingly more U.S. and European vehicles. Small displacement, turbocharged GDI engines are replacing large displacement engines, particularly in light-duty trucks and sport utility vehicles, in order for manufacturers to meet more stringent fuel economy standards. GDI engines typically emit the most particulate matter (PM) during periods of rich operation such as start-up and acceleration, and emissions of air toxics are also more likely during this condition. A 2.0 L GDI engine was operated at lambda of 0.91 at typical loads for acceleration (2600 rpm, 8 bar BMEP) on three different fuels; an 87 anti-knock index (AKI) gasoline (E0), 30% ethanol blended with the 87 AKI fuel (E30), and 48% isobutanol blended with the 87 AKI fuel. E30 was chosen to maximize octane enhancement while minimizing ethanol-blend level and iBu48 was chosen to match the same fuel oxygen level as E30. Particle size and number, organic carbon and elemental carbon (OC/EC), soot HC speciation, and aldehydes and ketones were all analyzed during the experiment. A new method for soot HC speciation is introduced using a direct, thermal desorption/pyrolysis inlet for the gas chromatograph (GC). Results showed high levels of aromatic compounds were present in the PM, including downstream of the catalyst, and the aldehydes were dominated by the alcohol blending.

  13. Organometallic complexes of bulky, optically active, C3-symmetric tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)

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

    Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.

    2015-07-16

    A bulky, optically active monoanionic scorpionate ligand, tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*), is synthesized from the naturally occurring amino acid l-valine as its lithium salt, Li[ToP*] (1). That compound is readily converted to the thallium complex Tl[ToP*] (2) and to the acid derivative H[ToP*] (3). Group 7 tricarbonyl complexes ToP*M(CO)3 (M = Mn (4), Re (5)) are synthesized by the reaction of MBr(CO)5 and Li[ToP*] and are crystallographically characterized. The νCO bands in their infrared spectra indicate that π back-donation in the rhenium compounds is greater with ToP* than with non-methylated tris(4S-isopropyl-2-oxazolinyl)phenylborate (ToP). The reaction of H[ToP*] and ZnEt2 gives ToP*ZnEt (6), whilemore » ToP*ZnCl (7) is synthesized from Li[ToP*] and ZnCl2. The reaction of ToP*ZnCl and KOtBu followed by addition of PhSiH3 provides the zinc hydride complex ToP*ZnH (8). In this study, compound 8 is the first example of a crystallographically characterized optically active zinc hydride. We tested its catalytic reactivity in the cross-dehydrocoupling of silanes and alcohols, which provided Si-chiral silanes with moderate enantioselectivity.« less

  14. Air Shipment of Spent Nuclear Fuel from Romania to Russia

    SciTech Connect (OSTI)

    Igor Bolshinsky; Ken Allen; Lucian Biro; Alexander Buchelnikov

    2010-10-01

    Romania successfully completed the worlds first air shipment of spent nuclear fuel transported in Type B(U) casks under existing international laws and without shipment license special exceptions when the last Romanian highly enriched uranium (HEU) spent nuclear fuel was transported to the Russian Federation in June 2009. This air shipment required the design, fabrication, and licensing of special 20 foot freight containers and cask tiedown supports to transport the eighteen TUK 19 shipping casks on a Russian commercial cargo aircraft. The new equipment was certified for transport by road, rail, water, and air to provide multi modal transport capabilities for shipping research reactor spent fuel. The equipment design, safety analyses, and fabrication were performed in the Russian Federation and transport licenses were issued by both the Russian and Romanian regulatory authorities. The spent fuel was transported by truck from the VVR S research reactor to the Bucharest airport, flown by commercial cargo aircraft to the airport at Yekaterinburg, Russia, and then transported by truck to the final destination in a secure nuclear facility at Chelyabinsk, Russia. This shipment of 23.7 kg of HEU was coordinated by the Russian Research Reactor Fuel Return Program (RRRFR), as part of the U.S. Department of Energy Global Threat Reduction Initiative (GTRI), in close cooperation with the Rosatom State Atomic Energy Corporation and the International Atomic Energy Agency, and was managed in Romania by the National Commission for Nuclear Activities Control (CNCAN). This paper describes the planning, shipment preparations, equipment design, and license approvals that resulted in the safe and secure air shipment of this spent nuclear fuel.

  15. A primer for criticality calculations with DANTSYS

    SciTech Connect (OSTI)

    Busch, R.D.

    1997-08-01

    With the closure of many experimental facilities, the nuclear safety analyst has to rely on computer calculations to identify safe limits for the handling and storage of fissile materials. Although deterministic methods often do not provide exact models of a system, a substantial amount of reliable information on nuclear systems can be obtained using these methods if the user understands their limitations. To guide criticality specialists in this area, the Nuclear Criticality Safety Group at the University of New Mexico (UNM) in cooperation with the Radiation Transport Group at Los Alamos National Laboratory (LANL) has designed a primer to help the analyst understand and use the DANTSYS deterministic transport code for nuclear criticality safety analyses. DANTSYS is the new name of the group of codes formerly known as: ONEDANT, TWODANT, TWOHEX, TWOGQ, and THREEDANT. The primer is designed to teach bu example, with each example illustrating two or three DANTSYS features useful in criticality analyses. Starting with a Quickstart chapter, the primer gives an overview of the basic requirements for DANTSYS input and allows the user to quickly run a simple criticality problem with DANTSYS. Each chapter has a list of basic objectives at the beginning identifying the goal of the chapter and the individual DANTSYS features covered in detail in the chapter example problems. On completion of the primer, it is expected that the user will be comfortable doing criticality calculations with DANTSYS and can handle 60--80% of the situations that normally arise in a facility. The primary provides a set of input files that can be selective modified by the user to fit each particular problem.

  16. Development of a novel solvent for the simultaneous separation of strontium and cesium from dissolved Spent Nuclear Fuel solutions

    SciTech Connect (OSTI)

    Catherine L. Riddle; John D. Baker; Jack D. Law; Christopher A. McGrath; David H. Meikrantz; Bruce J. Mincher; Dean R. Peterman; Terry A. Todd

    2004-10-01

    The recovery of Cs and Sr from acidic solutions by solvent extraction has been investigated. The goal of this project was to develop an extraction process to remove Cs and Sr from high-level waste in an effort to reduce the heat loading in storage. Solvents for the extraction of Cs and Sr separately have been used on both caustic and acidic spent nuclear fuel waste in the past. The objective of this research was to find a suitable solvent for the extraction of both Cs and Sr simultaneously from acidic nitrate media. The solvents selected for this research possess good stability and extraction behavior when mixed together. The extraction experiments were performed with 4 ,4,(5 )-Di-(tbutyldicyclohexano)- 18-crown-6 {DtBuCH18C6}, Calix[4]arene-bis-(tert-octylbenzocrown-6) {BOBCalixC6} and 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol {Cs-7SB modifier} in a branched aliphatic kerosene {Isopar L}. The BOBCalixC6 and Cs-7SB modifier were developed at Oak Ridge National Laboratory (ORNL) by Bonnesen et al. [1]. The values obtained from the SREX solvent for DSr in 1 M nitric acid ranged from 0.7 to 2.2 at 25oC and 10oC respectively. The values for DCs in 1 M nitric acid with the CSSX solvent ranged from 8.0 to 46.0 at 25oC and 10oC respectively. A new mixed solvent, developed at the Idaho National Engineering and Environmental Laboratory (INEEL) by Riddle et al. [2], showed distributions for Sr ranging from 8.8 to 17.4 in 1 M nitric acid at 25oC and 10oC respectively. The DCs for the mixed solvent ranged from 7.7 to 20.2 in 1 M nitric acid at 25oC to 10oC respectively. The unexpectedly high distributions for Sr at both 25oC and 10oC show a synergy in the mixed solvent. The DCs, although lower than with CSSX solvent, still showed good extraction behavior.

  17. Low-Cost High-Concentration Photovoltaic Systems for Utility Power Generation

    SciTech Connect (OSTI)

    McConnell, R.; Garboushian, V.; Gordon, R.; Dutra, D.; Kinsey, G.; Geer, S.; Gomez, H.; Cameron, C.

    2012-03-31

    Under DOE's Technology Pathway Partnership (TPP) program, Amonix, Inc. developed a new generation of high-concentration photovoltaic systems using multijunction technology and established the manufacturing capacity needed to supply multi-megawatt power plants buing using the new Amonix 7700-series solar energy systems. For this effort, Amonix Collaborated with a variety of suppliers and partners to complete project tasks. Subcontractors included: Evonik/Cyro; Hitek; the National Renewable Energy Laboratory (NREL); Raytech; Spectrolab; UL; University of Nevada, Las Vegas; and TUV Rheinland PTL. The Amonix TPP tasks included: Task 1: Multijunction Cell Optimization for Field Operation, Task 2: Fresnel Lens R&D, Task 3: Cell Package Design & Production, Task 4: Standards Compliance and Reliability Testing, Task 5: Receiver Plate Production, Task 6: MegaModule Performance, Task 7: MegaModule Cost Reduction, Task 8: Factory Setup and MegaModule Production, Task 9: Tracker and Tracking Controller, Task 10: Installation and Balance of System (BOS), Task 11: Field Testing, and Task 12: Solar Advisor Modeling and Market Analysis. Amonix's TPP addressed nearly the complete PV value chain from epitaxial layer design and wafer processing through system design, manufacturing, deployment and O&M. Amonix has made progress toward achieving these reduced costs through the development of its 28%+ efficient MegaModule, reduced manufacturing and installation cost through design for manufacturing and assembly, automated manufacturing processes, and reduced O&M costs. Program highlights include: (1) Optimized multijunction cell and cell package design to improve performance by > 10%; (2) Updated lens design provided 7% increased performance and higher concentration; (3) 28.7% DC STC MegaModule efficiency achieved in Phase II exceeded Phase III performance goal; (4) New 16' focal length MegaModule achieved target materials and manufacturing cost reduction; (5) Designed and placed into production 25 MW/yr manufacturing capacity for complete MegaModules, including cell packages, receiver plates, and structures with lenses; (6) Designed and deployed Amonix 7700 series systems rated at 63 kW PTC ac and higher. Based on an LCOE assessment using NREL's Solar Advisor Model, Amonix met DOE's LCOE targets: Amonix 2011 LCOE 12.8 cents/kWh (2010 DOE goal 10-15); 2015 LCOE 6.4 cents/kWh (2015 goal 5-7) Amonix and TPP participants would like to thank the U.S. Department of Energy Solar Energy Technology Program for funding received under this program through Agreement No. DE-FC36-07GO17042.

  18. Optimization of combined delayed neutron and differential die-away prompt neutron signal detection for characterization of spent nuclear fuel assemblies

    SciTech Connect (OSTI)

    Blanc, Pauline; Tobin, Stephen J; Croft, Stephen; Menlove, Howard O; Swinhoe, M; Lee, T

    2010-12-02

    The Next Generation Safeguards Initiative (NGSI) of the U.S. Department of Energy (DOE) has funded multiple laboratories and universities to develop a means to accurately quantify the Plutonium (Pu) mass in spent nuclear fuel assemblies and ways to also detect potential diversion of fuel pins. Delayed Neutron (DN) counting provides a signature somewhat more sensitive to {sup 235}U than Pu while Differential Die-Away (DDA) is complementary in that it has greater sensitivity to Pu. The two methods can, with care, be combined into a single instrument which also provides passive neutron information. Individually the techniques cannot robustly quantify the Pu content but coupled together the information content in the signatures enables Pu quantification separate to the total fissile content. The challenge of merging DN and DDA, prompt neutron (PN) signal, capabilities in the same design is the focus of this paper. Other possibilities also suggest themselves, such as a direct measurement of the reactivity (multiplication) by either the boost in signal obtained during the active interrogation itself or by the extension of the die-away profile. In an early study, conceptual designs have been modeled using a neutron detector comprising fission chambers or 3He proportional counters and a {approx}14 MeV neutron Deuterium-Tritium (DT) generator as the interrogation source. Modeling was performed using the radiation transport code Monte Carlo N-Particles eXtended (MCNPX). Building on this foundation, the present paper quantifies the capability of a new design using an array of {sup 3}He detectors together with fission chambers to optimize both DN and PN detections and active characterization, respectively. This new design was created in order to minimize fission in {sup 238}U (a nuisance DN emitter), to use a realistic neutron generator, to reduce the cost and to achieve near spatial interrogation and detection of the DN and PN, important for detection of diversion, all within the constraints of a single practical instrument. Both DN and PN detections are active techniques using the signal from the most prominent fissile isotopes of spent nuclear fuel that respond the best to a slow neutron interrogation, {sup 235}U, {sup 239}U and {sup 241}PU. The performance is characterized against a library of 64 assemblies and 40 diversion scenarios at different burnup (BU), cooling-time (CT) and initial enrichment (IE) in fresh water.

  19. Transition metal complexes of oxazolinylboranes and cyclopentadienyl-bis(oxazolinyl)borates: Catalysts for asymmetric olefin hydroamination and acceptorless alcohol decarbonylation

    SciTech Connect (OSTI)

    Manna, Kuntal [Ames Laboratory

    2012-12-17

    The research presented and discussed in this dissertation involves the synthesis of transition metal complexes of oxazolinylboranes and cyclopentadienyl-bis(oxazolinyl)borates, and their application in catalytic enantioselective olefin hydroamination and acceptorless alcohol decarbonylation. Neutral oxazolinylboranes are excellent synthetic intermediates for preparing new borate ligands and also developing organometallic complexes. Achiral and optically active bis(oxazolinyl)phenylboranes are synthesized by reaction of 2-lithio-2-oxazolide and 0.50 equiv of dichlorophenylborane. These bis(oxazolinyl)phenylboranes are oligomeric species in solid state resulting from the coordination of an oxazoline to the boron center of another borane monomer. The treatment of chiral bis(oxazolinyl)phenylboranes with sodium cyclopentadienide provide optically active cyclopentadienyl-bis(oxazolinyl)borates H[PhB(C{sub 5}H{sub 5})(Ox{sup R}){sub 2}] [Ox{sup R} = Ox{sup 4S-iPr,Me2}, Ox{sup 4R-iPr,Me2}, Ox{sup 4S-tBu]}. These optically active proligands react with an equivalent of M(NMe{sub 2}){sub 4} (M = Ti, Zr, Hf) to afford corresponding cyclopentadienyl-bis(oxazolinyl)borato group 4 complexes {PhB(C{sub 5}H{sub 4})(Ox{sup R}){sub 2}}M(NMe{sub 2}){sub 2} in high yields. These group 4 compounds catalyze cyclization of aminoalkenes at room temperature or below, providing pyrrolidine, piperidine, and azepane with enantiomeric excesses up to 99%. Our mechanistic investigations suggest a non-insertive mechanism involving concerted C?N/C?H bond formation in the turnover limiting step of the catalytic cycle. Among cyclopentadienyl-bis(oxazolinyl)borato group 4 catalysts, the zirconium complex {PhB(C{sub 5}H{sub 4})(Ox{sup 4S-iPr,Me2}){sub 2}}Zr(NMe{sub 2}){sub 2} ({S-2}Zr(NMe{sub 2}){sub 2}) displays highest activity and enantioselectivity. Interestingly, {S-2}Zr(NMe{sub 2}){sub 2} also desymmetrizes olefin moieties of achiral non-conjugated aminodienes and aminodiynes during cyclization. The cyclization of aminodienes catalyzed by {S-2}Zr(NMe{sub 2}){sub 2} affords diastereomeric mixture of cis and trans cylic amines with high diasteromeric ratios and excellent enantiomeric excesses. Similarly, the desymmetrization of alkyne moieties in {S-2}Zr(NMe{sub 2}){sub 2}-catalyzed cyclization of aminodiynes provides corresponding cyclic imines bearing quaternary stereocenters with enantiomeric excesses up to 93%. These stereoselective desymmetrization reactions are significantly affected by concentration of the substrate, temperature, and the presence of a noncyclizable primary amine. In addition, both the diastereomeric ratios and enantiomeric excesses of the products are markedly enhanced by N-deuteration of the substrates. Notably, the cationic zirconium-monoamide complex [{S-2}Zr(NMe{sub 2})][B(C{sub 6}F{sub 5}){sub 4}] obtained from neutral {S-2}Zr(NMe{sub 2}){sub 2} cyclizes primary aminopentenes providing pyrrolidines with S-configuration; whereas {S-2}Zr(NMe{sub 2}){sub 2} provides R-configured pyrrolidines. The yttrium complex {S-2}YCH{sub 2}SiMe{sub 3} also affords S-configured pyrrolidines by cyclization of aminopentenes, however the enantiomeric excesses of products are low. An alternative optically active yttrium complex {PhB(C{sub 5}H{sub 4})(Ox{sup 4S-tBu}){sub 2}}YCH{sub 2}SiMe{sub 3} ({S-3}YCH{sub 2}SiMe{sub 3}) is synthesized, which displays highly enantioselective in the cyclization of aminoalkenes at room temperature affording S-configured cyclic amines with enantiomeric excesses up to 96%. A noninsertive mechanism involving a six-membered transition state by a concerted C?N bond formation and N?H bond cleavage is proposed for {S-3}YCH{sub 2}SiMe{sub 3} system based on the kinetic, spectroscopic, and stereochemical features. In the end, a series of bis- and tris(oxazolinyl)borato iridium and rhodium complexes are synthesized with bis(oxazolinyl)phenylborane [PhB(Ox{sup Me2}){sub 2}]{sub n}, tris(oxazolinyl)borane [B(Ox{sup Me2}){sub 3}]n, and tris(4,4-dimethyl-2-oxazolinyl)phenylborate [To{sup M}]{sup ?}. All these new an

  20. Synthesis of main group, rare-earth, and d{sup 0} metal complexes containing beta-hydrogen

    SciTech Connect (OSTI)

    Yan, Ka King

    2013-05-02

    A series of organometallic compounds containing the tris(dimethylsilyl)methyl ligand are described. The potassium carbanions KC(SiHMe{sub 2}){sub 3} and KC(SiHMe{sub 2}){sub 3}TMEDA are synthesized by deprotonation of the hydrocarbon HC(SiHMe{sub 2}){sub 3} with potassium benzyl. KC(SiHMe{sub 2}){sub 3}TMEDA crystallizes as a dimer with two types of three-center-two-electron KH- Si interactions. Homoleptic Ln(III) tris(silylalkyl) complexes containing ?-SiH groups M{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu, La) are synthesized from salt elimination of the corresponding lanthanide halide and 3 equiv. of KC(SiHMe{sub 2}){sub 3}. The related reactions with Sc yield bis(silylalkyl) ate-complexes containing either LiCl or KCl. The divalent calcium and ytterbium compounds M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) are prepared from MI{sub 2} and 2 equiv of KC(SiHMe{sub 2}){sub 3}. The compounds M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) and La{C(SiHMe{sub 2}){sub 3}}{sub 3} react with 1 equiv of B(C{sub 6}F{sub 5}){sub 3} to give 1,3- disilacyclobutane {Me2Si-C(SiHMe2)2}2 and MC(SiHMe2)3HB(C6F5)3L, and La{C(SiHMe{sub 2}){sub 3}}{sub 2}HB(C{sub 6}F{sub 5}){sub 3}, respectively. The corresponding reactions of Ln{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu) give the ?-SiH abstraction product [{(Me{sub 2}HSi){sub 3}C}{sub 2}LnC(SiHMe{sub 2}){sub 2}SiMe{sub 2}][HB(C{sub 6}F{sub 5}){sub 3}] (Ln = Y, Lu), but the silene remains associated with the Y or Lu center. The abstraction reactions of M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2 }or TMEDA) and Ln{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu, La) and 2 equiv of B(C{sub 6}F{sub 5}){sub 3} give the expected dicationic M{HB(C{sub 6}F{sub 5}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) and dicationic mono(silylalkyl) LnC(SiHMe{sub 2}){sub 3}{HB(C{sub 6}F{sub 5}){sub 3}}{sub 2} (Ln = Y, Lu, La), respectively. Salt metathesis reactions of Cp{sub 2}(NR{sub 2})ZrX (X = Cl, I, OTf; R = t-Bu, SiHMe{sub 2}) and lithium hydrosilazide ultimately afford hydride products Cp{sub 2}(NR{sub 2})ZrH that suggest unusual ?-hydrogen elimination processes. A likely intermediate in one of these reactions, Cp{sub 2}Zr[N(SiHMe{sub 2})t-Bu][N(SiHMe{sub 2}){sub 2}], is isolated under controlled synthetic conditions. Addition of alkali metal salts to this zirconium hydrosilazide compound produces the corresponding zirconium hydride. However as conditions are varied, a number of other pathways are also accessible, including C-H/Si-H dehydrocoupling, ?-abstraction of a CH, and ?-abstraction of a SiH. Our observations suggest that the conversion of (hydrosilazido)zirconocene to zirconium hydride does not follow the classical four-center ?- elimination mechanism. Elimination and abstraction reactions dominate the chemistry of ligands containing ?- hydrogen. In contrast, Cp{sub 2}Zr{N(SiHMe{sub 2}){sub 2}}H and Cp{sub 2}Zr{N(SiHMe{sub 2}){sub 2}}Me undergo selective ?-CH bond activation to yield the azasilazirconacycle Cp{sub 2Zr}{?{sup 2}-N(SiHMe{sub 2})SiHMeCH{sub 2}}, even though there are reactive ?-hydrogen available for abstraction. The ?-SiH groups in metallacycle provide access to new pathways for sixteen-electron zirconium alkyl compounds, in which Cp{sub 2}Zr{?{sup 2}-N(SiHMe{sub 2})SiHMeCH{sub 2}} undergoes a rare ?-bond metathesis reaction with ethylene. The resulting vinyl intermediate undergoes ?-hydrogen abstraction to reform ethylene and a silanimine zirconium species that reacts with ethylene to give a metallacyclopentane as the isolated product. The pendent ?-SiH in metallocycle also reacts with paraformaldehyde through an uncatalyzed hydrosilylation to form an exocyclic methoxysilyl moiety, while the zirconium-carbon bond in metallocycle is surprisingly inert toward formaldehyde. Still, the Zr-C moiety in metallocycle is available for chemistry, and it interacts with the carbon monoxide and strong electrophile B(C{sub 6}F{sub 5}){sub 3} to provide Cp{sub 2}Zr[?{sup 2}- OC(=CH{sub 2})SiMeHN(SiHMe

  1. DEVELOPMENT OF THE BULK TRITIUM SHIPPING PACKAGING

    SciTech Connect (OSTI)

    Blanton, P.; Eberl, K.

    2008-09-14

    A new radioactive shipping packaging for transporting bulk quantities of tritium, the Bulk Tritium Shipping Package (BTSP), has been designed for the Department of Energy (DOE) as a replacement for a package designed in the early 1970s. This paper summarizes significant design features and describes how the design satisfies the regulatory safety requirements of the Code of Federal Regulations and the International Atomic Energy Agency. The BTSP design incorporates many improvements over its predecessor by implementing improved testing, handling, and maintenance capabilities, while improving manufacturability and incorporating new engineered materials. This paper also discusses the results from testing of the BTSP to 10 CFR 71 Normal Conditions of Transport and Hypothetical Accident Condition events. The programmatic need of the Department of Energy (DOE) to ship bulk quantities of tritium has been satisfied since the late 1970s by the UC-609 shipping package. The current Certificate of Conformance for the UC-609, USA/9932/B(U) (DOE), will expire in late 2011. Since the UC-609 was not designed to meet current regulatory requirements, it will not be recertified and thereby necessitates a replacement Type B shipping package for continued DOE tritium shipments in the future. A replacement tritium packaging called the Bulk Tritium Shipping Package (BTSP) is currently being designed and tested by Savannah River National Laboratory (SRNL). The BTSP consists of two primary assemblies, an outer Drum Assembly and an inner Containment Vessel Assembly (CV), both designed to mitigate damage and to protect the tritium contents from leaking during the regulatory Hypothetical Accident Condition (HAC) events and during Normal Conditions of Transport (NCT). During transport, the CV rests on a silicone pad within the Drum Liner and is covered with a thermal insulating disk within the insulated Drum Assembly. The BTSP packaging weighs approximately 500 lbs without contents and is 50-1/2 inches high by 24-1/2 inches in outside diameter. With contents the gross weight of the BTSP is 650 lbs. The BTSP is designed for the safe shipment of 150 grams of tritium in a solid or gaseous state. To comply with the federal regulations that govern Type B shipping packages, the BTSP is designed so that it will not lose tritium at a rate greater than the limits stated in 10CFR 71.51 of 10{sup -6} A2 per hour for the 'Normal Conditions of Transport' (NCT) and an A2 in 1 week under 'Hypothetical Accident Conditions' (HAC). Additionally, since the BTSP design incorporates a valve as part of the tritium containment boundary, secondary containment features are incorporated in the CV Lid to protect against gas leakage past the valve as required by 10CFR71.43(e). This secondary containment boundary is designed to provide the same level of containment as the primary containment boundary when subjected to the HAC and NCT criteria.

  2. Predictive Optimal Control of Active and Passive Building Thermal Storage Inventory

    SciTech Connect (OSTI)

    Gregor P. Henze; Moncef Krarti

    2005-09-30

    Cooling of commercial buildings contributes significantly to the peak demand placed on an electrical utility grid. Time-of-use electricity rates encourage shifting of electrical loads to off-peak periods at night and weekends. Buildings can respond to these pricing signals by shifting cooling-related thermal loads either by precooling the building's massive structure or the use of active thermal energy storage systems such as ice storage. While these two thermal batteries have been engaged separately in the past, this project investigated the merits of harnessing both storage media concurrently in the context of predictive optimal control. To pursue the analysis, modeling, and simulation research of Phase 1, two separate simulation environments were developed. Based on the new dynamic building simulation program EnergyPlus, a utility rate module, two thermal energy storage models were added. Also, a sequential optimization approach to the cost minimization problem using direct search, gradient-based, and dynamic programming methods was incorporated. The objective function was the total utility bill including the cost of reheat and a time-of-use electricity rate either with or without demand charges. An alternative simulation environment based on TRNSYS and Matlab was developed to allow for comparison and cross-validation with EnergyPlus. The initial evaluation of the theoretical potential of the combined optimal control assumed perfect weather prediction and match between the building model and the actual building counterpart. The analysis showed that the combined utilization leads to cost savings that is significantly greater than either storage but less than the sum of the individual savings. The findings reveal that the cooling-related on-peak electrical demand of commercial buildings can be considerably reduced. A subsequent analysis of the impact of forecasting uncertainty in the required short-term weather forecasts determined that it takes only very simple short-term prediction models to realize almost all of the theoretical potential of this control strategy. Further work evaluated the impact of modeling accuracy on the model-based closed-loop predictive optimal controller to minimize utility cost. The following guidelines have been derived: For an internal heat gain dominated commercial building, reasonable geometry simplifications are acceptable without a loss of cost savings potential. In fact, zoning simplification may improve optimizer performance and save computation time. The mass of the internal structure did not show a strong effect on the optimization. Building construction characteristics were found to impact building passive thermal storage capacity. It is thus advisable to make sure the construction material is well modeled. Zone temperature setpoint profiles and TES performance are strongly affected by mismatches in internal heat gains, especially when they are underestimated. Since they are a key factor in determining the building cooling load, efforts should be made to keep the internal gain mismatch as small as possible. Efficiencies of the building energy systems affect both zone temperature setpoints and active TES operation because of the coupling of the base chiller for building precooling and the icemaking TES chiller. Relative efficiencies of the base and TES chillers will determine the balance of operation of the two chillers. The impact of mismatch in this category may be significant. Next, a parametric analysis was conducted to assess the effects of building mass, utility rate, building location and season, thermal comfort, central plant capacities, and an economizer on the cost saving performance of optimal control for active and passive building thermal storage inventory. The key findings are: (1) Heavy-mass buildings, strong-incentive time-of-use electrical utility rates, and large on-peak cooling loads will likely lead to attractive savings resulting from optimal combined thermal storage control. (2) By using economizer to take advantage of the cool fresh air during the night, the bu

  3. Spectroelectrochemical Sensor for Pertechnetate Applicable to Hanford and Other DOE Sites

    SciTech Connect (OSTI)

    Heineman, William R; Seliskar, Carl J; Bryan, Samuel A

    2012-09-18

    The general aim of our work funded by DOE is the design and implementation of a new sensor technology that offers unprecedented levels of specificity needed for analysis of the complex chemical mixtures found at DOE sites nationwide. The specific goal of this project was the development of a sensor for technetium (Tc) that is applicable to characterizing and monitoring the vadose zone and associated subsurface water at the Hanford Site and other DOE sites. The concept for the spectroelectrochemical sensor is innovative and represents a breakthrough in sensor technology. The sensor combines three modes of selectivity (electrochemistry, spectroscopy, and selective partitioning) into a single sensor to substantially improve selectivity. The sensor consists of a basic spectroelectrochemical configuration that we have developed under our previous DOE grants: a waveguide with an optically transparent electrode (OTE) that is coated with a thin chemically-selective film that preconcnetrates the analyte. The key to adapting this generic sensor to detect TcO4- and Tc complexes lies in the development of chemically-selective films that preconcentrate the analyte and, when necessary, chemically convert it into a complex with electrochemical and spectroscopic properties appropriate for sensing. Significant accomplishments were made in the general areas of synthesis and characterization of polymer films that efficiently preconcentrate the analyte, development and characterization of sensors and associated instrumentation, and synthesis and characterization of relevant Re and Tc complexes. Two new polymer films for the preconcentration step in the sensor were developed: partially sulfonated polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene (SSEBS) and phosphine containing polymer films. The latter was a directed polymer film synthesis that combined the proper electrostatic properties to attract TcO4- and also incorporated a suitable ligand for covalently trapping a lower oxidation state Tc complex within the film for spectroelectrochemical detection. Spectroelectrochemical sensors were developed and demonstrated, first using [Re(dmpe)3]+ (dmpe = 1,2-bis(dimethylphosphino)ethane) as a model compound with the non-radioactive Re surrogate for radioactive Tc. A fluorescence based spectroelectrochemical sensor for [Tc(dmpe)3]+/2+was then developed using SSEBS as the preconcentrating film. Portable instrumentation for the fluorescence spectroelectrochemical sensor was fabricated and tested. The effects of components in Hanford subsurface water on sensor performance with a detailed evaluation of the effect of total ionic strength on sensitivity demonstrated the ability to use the spectroelectrochemical sensor on representative water samples. A variety Re and Tc complexes were synthesized and characterized to explore the best ligands to use for detection of Tc. A lower oxidation-state Tc-complex [Tc(dmpe)3]+ (dmpe = 1,2-bis(dimethylphosphino)ethane) was synthesized to use as a model compound for developing Tc sensors. [Tc(dmpe)3]+/2+ exhibited the important properties of solution fluorescence at ambient temperatures and reversible electrochemistry. A range of low oxidation state dioxo Re- and Tc-complexes of formulae [ReO2(py)4]+, [ReO2(CN)4]-, [ReO2(P-P)2]+ and [ReO2(S-S)2]+ (py = pyridine) were synthesized. An exhaustive study of the spectroscopy and electrochemistry of Re(diimine)(CO)3(halide) complexes was performed. These complexes served as models for the Tc(diimine)(CO)3(halide) complexes that were readily formed from Tc(CO)x(halides)6-x complexes which are themselves constituents of tank waste samples from Hanford. Of particular interest were new Tc complexes with the +5 and +6 oxidation states. Tetrabutylammonium salt of tetrachlorooxotechnetate(V), (nBu4N)[TcOCl4] (I) was synthesized and the structure determined. [TcO2(CN)4]3- , [TcO2(en)2]2+ , [TcO2(im)4]+, and [TcO2(py)4]+ (en = ethylenediamine; im = imidazole; py = pyridine) complexes were synthesized and solution and solid state 99Tc NMR spectra were acquired giving