National Library of Energy BETA

Sample records for butyl ether na

  1. Vapor pressures of methyl tert-butyl ether, ethyl tert-butyl ether, isopropyl tert-butyl ether, tert-amyl methyl ether, and tert-amyl ethyl ether

    SciTech Connect (OSTI)

    Kraehenbuehl, M.A.; Gmehling, J. . Technische Chemie)

    1994-10-01

    The vapor pressures of methyl tert-butyl ether, ethyl tert-butyl ether, isopropyl tert-butyl ether, tert-amyl methyl ether, and tert-amyl ethyl ether were measured by ebulliometry or the static method in the pressure ranges 14--102 and 3--835 kPa (methyl tert-butyl ether), respectively. The data were correlated using the Antoine and Wagner equations. The experimental data of methyl tert-butyl ether and ethyl tert-butyl ether were compared with data available in the literature.

  2. State Restrictions on Methyl Tertiary Butyl Ether (released in AEO2006)

    Reports and Publications (EIA)

    2006-01-01

    By the end of 2005, 25 states had barred, or passed laws banning, any more than trace levels of methyl tertiary butyl ether (MTBE) in their gasoline supplies, and legislation to ban MTBE was pending in 4 others. Some state laws address only MTBE; others also address ethers such as ethyl tertiary butyl ether (ETBE) and tertiary amyl methyl ether (TAME). Annual Energy Outlook 2006 assumes that all state MTBE bans prohibit the use of all ethers for gasoline blending.

  3. Enhanced diisobutene production in the presence of methyl tertiary butyl ether

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Bellaire, TX)

    1983-01-01

    In the liquid phase reaction of isobutene in the presence of resin cation exchange resins with itself in a C.sub.4 hydrocarbon stream to form dimers, the formation of higher polymers, oligomers, and co-dimer by-products is suppressed by the presence of 0.0001 to 1 mole per mole of isobutene of methyl tertiary butyl ether.

  4. Enhanced diisobutene production in the presence of methyl tertiary butyl ether

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1983-03-01

    In the liquid phase reaction of isobutene in the presence of resin cation exchange resins with itself in a C[sub 4] hydrocarbon stream to form dimers, the formation of higher polymers, oligomers, and co-dimer by-products is suppressed by the presence of 0.0001 to 1 mole per mole of isobutene of methyl tertiary butyl ether. 1 fig.

  5. Methyl tert-butyl ether and ethyl tert-butyl ether: A comparison of properties, synthesis techniques, and operating conditions

    SciTech Connect (OSTI)

    Sneesby, M.G.; Tade, M.O.; Datta, R.

    1996-12-31

    MTBE is currently the most industrially significant oxygenate but some of the properties of ETBE and the EPA ethanol mandate suggest that ETBE could become a viable competitor. Similar synthesis techniques are used for both ethers but the phase behaviour of the ETBE system requires slightly different operating conditions and creates some alternatives for product recovery. The process control strategy for both systems must address some unusual challenges. 9 refs., 1 tab.

  6. Thermodynamic properties and ideal-gas enthalpies of formation for butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol

    SciTech Connect (OSTI)

    Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.

    1996-11-01

    Ideal-gas enthalpies of formation of butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo-[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol are reported. Enthalpies of fusion were determined for bicyclo[2.2.1]hept-2-ene and trans-azobenzene. Two-phase (solid + vapor) or (liquid + vapor) heat capacities were determined from 300 K to the critical region or earlier decomposition temperature for each compound studied. Liquid-phase densities along the saturation line were measured for bicyclo[2.2.1]hept-2-ene. For butyl vinyl ether and 1,2-dimethoxyethane, critical temperatures and critical densities were determined from the dsc results and corresponding critical pressures derived from the fitting procedures. Fitting procedures were used to derive critical temperatures, critical pressures, and critical densities for bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, and di-tert-butyl ether. Group-additivity parameters or ring-correction terms useful in the application of the Benson group-contribution correlations were derived.

  7. Exposure to methyl tert-butyl ether, benzene, and total hydrocarbons at the Singapore-Malaysia causeway immigration checkpoint

    SciTech Connect (OSTI)

    Tan, C.; Ong, H.Y.; Kok, P.W.

    1996-12-31

    The primary aim of this study was to determine the extent and levels of exposure to volatile organic compounds (VOCs) from automobile emissions in a group of immigration officers at a busy cross-border checkpoint. A majority (80%) of the workers monitored were exposed to benzene at levels between 0.01 and 0.5 ppm, with only 1.2% exceeding the current Occupational Safety and Health Administration occupational exposure limit of 1 ppm. The geometric mean (GM) concentrations of 8-hr time-weighted average exposure were 0.03 ppm, 0.9 ppm, and 2.46 ppm for methyl-tert-butyl ether (MTBE), benzene, and total hydrocarbons (THC), respectively. The highest time-weighted average concentrations measured were 1.05 ppm for MTBE, 2.01 ppm for benzene, and 34 ppm for THC. It was found that motorbikes emitted a more significant amount of pollutants compared with motor cars. On average, officers at the motorcycle booths were exposed to four to five times higher levels of VOCs (GMs of 0.07 ppm, 0.23 ppm, and 4.7 ppm for MTBE, benzene, and THC) than their counterparts at the motor car booths (GMs of 0.01 ppm, 0.05 ppm, and 1.5 ppm). The airborne concentrations of all three pollutants correlated with the flow of vehicle traffic. Close correlations were also noted for the concentrations in ambient air for the three pollutants measured. Benzene and MTBE had a correlation coefficient of 0.97. The overall findings showed that the concentrations of various VOCs were closely related to the traffic density, suggesting that they were from a common source, such as exhaust emissions from the vehicles. The results also indicated that although benzene, MTBE, and THC are known to be volatile, a significant amount could still be detected in the ambient environment, thus contributing to our exposure to these compounds. 4 refs., 6 figs.

  8. Manipulation of the HIF–Vegf pathway rescues methyl tert-butyl ether (MTBE)-induced vascular lesions

    SciTech Connect (OSTI)

    Bonventre, Josephine A.; Kung, Tiffany S.; White, Lori A.; Cooper, Keith R.

    2013-12-15

    Methyl tert-butyl ether (MTBE) has been shown to be specifically anti-angiogenic in piscine and mammalian model systems at concentrations that appear non-toxic in other organ systems. The mechanism by which MTBE targets developing vascular structures is unknown. A global transcriptome analysis of zebrafish embryos developmentally exposed to 0.00625–5 mM MTBE suggested that hypoxia inducible factor (HIF)-regulated pathways were affected. HIF-driven angiogenesis via vascular endothelial growth factor (vegf) is essential to the developing vasculature of an embryo. Three rescue studies were designed to rescue MTBE-induced vascular lesions: pooled blood in the common cardinal vein (CCV), cranial hemorrhages (CH), and abnormal intersegmental vessels (ISV), and test the hypothesis that MTBE toxicity was HIF–Vegf dependent. First, zebrafish vegf-a over-expression via plasmid injection, resulted in significantly fewer CH and ISV lesions, 46 and 35% respectively, in embryos exposed to 10 mM MTBE. Then HIF degradation was inhibited in two ways. Chemical rescue by N-oxaloylglycine significantly reduced CCV and CH lesions by 30 and 32% in 10 mM exposed embryos, and ISV lesions were reduced 24% in 5 mM exposed zebrafish. Finally, a morpholino designed to knock-down ubiquitin associated von Hippel–Lindau protein, significantly reduced CCV lesions by 35% in 10 mM exposed embryos. In addition, expression of some angiogenesis related genes altered by MTBE exposure were rescued. These studies demonstrated that MTBE vascular toxicity is mediated by a down regulation of HIF–Vegf driven angiogenesis. The selective toxicity of MTBE toward developing vasculature makes it a potentially useful chemical in the designing of new drugs or in elucidating roles for specific angiogenic proteins in future studies of vascular development. - Highlights: • Global gene expression of MTBE exposed zebrafish suggested altered HIF1 signaling. • Over expression of zebrafish vegf-a rescues MTBE

  9. Cytotoxic and DNA-damaging effects of methyl tert-butyl ether and its metabolites on HL-60 cells in vitro

    SciTech Connect (OSTI)

    Tang, G.H.; Shen, Y.; Shen, H.M.

    1996-12-31

    Methyl tert-butyl ether (MTBE) is a widely used oxygenate in unleaded gasoline; however, few studies have been conducted on the toxicity of this compound. This study evaluates the cytotoxic and DNA-damaging effects of MTBE and its metabolites in a human haemopoietic cell line, HL-60. The metabolites of MTBE studied include tertiary butyl alcohol (TBA), {alpha}-hydroxyisobutyric acid (HIBA), and formaldehyde. Comet assay is used to assess DNA damage, and the cytotoxicity is investigated by lactate dehydrogenease (LDH) release. The results show no significant cytotoxic effects of MTBE, TBA, and HIBA over a concentration ranging from 1 to 30 mM. Formaldehyde, in contrast, causes a substantial LDH release at a concentration of 5 {mu}M. Hydrogen peroxide, a known oxidative agent, at concentrations ranging from 10 to 100 {mu}M, produces a significant dose-related increase in DNA damage, whereas a much higher concentration of MTBE (1 to 30 mM) is required to produce a similar observation. The genotoxic effects of TBA and HIBA appear to be identical to that of MTBE. Conversely, DNA damage is observed for formaldehyde at a relatively low concentration range (5 to 100 {mu}M). These findings suggest that MTBE and its metabolites, except formaldehyde, have relatively low cytotoxic and genotoxic effects. 16 refs., 4 figs.

  10. {gamma}-aminobutyric acid{sub A} (GABA{sub A}) receptor regulates ERK1/2 phosphorylation in rat hippocampus in high doses of Methyl Tert-Butyl Ether (MTBE)-induced impairment of spatial memory

    SciTech Connect (OSTI)

    Zheng Gang; Zhang Wenbin; Zhang Yun; Chen Yaoming; Liu Mingchao; Yao Ting; Yang Yanxia; Zhao Fang; Li Jingxia; Huang Chuanshu; Luo Wenjing Chen Jingyuan

    2009-04-15

    Experimental and occupational exposure to Methyl Tert-Butyl Ether (MTBE) has been reported to induce neurotoxicological and neurobehavioral effects, such as headache, nausea, dizziness, and disorientation, etc. However, the molecular mechanisms involved in MTBE-induced neurotoxicity are still not well understood. In the present study, we investigated the effects of MTBE on spatial memory and the expression and function of GABA{sub A} receptor in the hippocampus. Our results demonstrated that intraventricular injection of MTBE impaired the performance of the rats in a Morris water maze task, and significantly increased the expression of GABA{sub A} receptor {alpha}1 subunit in the hippocampus. The phosphorylation of ERK1/2 decreased after the MTBE injection. Furthermore, the decreased ability of learning and the reduction of phosphorylated ERK1/2 level of the MTBE-treated rats was partly reversed by bicuculline injected 30 min before the training. These results suggested that MTBE exposure could result in impaired spatial memory. GABA{sub A} receptor may play an important role in the MTBE-induced impairment of learning and memory by regulating the phosphorylation of ERK in the hippocampus.

  11. Solvent Modification in Ion-Pair Extraction: Effect on Sodium Nitrate Transport in Nitrobenzene Using a Crown Ether

    SciTech Connect (OSTI)

    Levitskaia, Tatiana G.; Lumetta, Gregg J.

    2005-10-31

    A comparative quantitative analysis of the effect of solvent modifiers on an ion-pair extraction of an inorganic salt by a crown ether was conducted. Two classes of the solvent modifiers that possess electron-pair donor (EPD) or hydrogen-bond donor (HBD) groups were investigated. The equilibrium constants corresponding to the extraction of sodium nitrate into nitrobenzene (NB) employing model neutral host cis-syn-cis-dicyclohexano-18-crown-6 (1) with and without solvent modifier were determined using the SXLSQI computer model. For a series of EPD modifiers—including tri-n-butyl- and tri-phenylphosphate, tri-n-butyl- and tri-phenylphosphine oxide, N,N-di-n-butyl- and N,N-di-phenyl acetamide—the enhancement of the NaNO3 extraction by 1 was found to be dependent on the hydrogen-bond acceptance ability of the modifier quantified by the b solvatochromic parameter. Application of the solvent EPD modifier improved solvation of the sodium ion, lowering the large energy barrier of Na+ partitioning into the extraction phase. A HBD modifier 3,5-di-t-butylphenol 8 that forms strong hydrogen bonds with nitrate anion in NB, exhibited even greater enhancement of the NaNO3 extraction by 1. The determined extraction constants were correlated with the b or a solvatochromic parameters of the solvent modifiers and linear trends were observed. Hydrogen bond interaction between 3,5-di-t-butylphenol 8 and nitrate anion in the presence of the sodium-loaded crown ether in the extraction phases was studied by vibrational spectroscopy. Formation of the simple 1:1 adduct was demonstrated.

  12. SYNTHESIS OF NOVEL CROWN ETHERS BEARING THE exo-cis-2,3-NORBORNYL GROUP AS POTENTIAL Na+ AND K+ EXTRACTANTS

    SciTech Connect (OSTI)

    Robeson, R.M.; Bonnesen, P.

    2007-01-01

    The synthesis of a series of novel dinorbornyl-16-crown-5 and dinorbornyl-18-crown-6 ethers that incorporate the exo-cis-2,3-norbornyl moiety within the macrocycle framework is described. The key starting material for the crown ethers, exo-cis-2,3-norbornanediol, was successfully prepared on a large (>30g) scale in 88% yield from norbornylene by osmium tetroxide-catalyzed hydroxylation. The syn and anti isomers of the dinorbornyl-16-crown-5 ether family were prepared using diethylene glycol with ring closure achieved using a methallyl linkage. The isomers cis-syn-cis and cis-anti-cis di-norbornano-15-methyleno-16-crown-5 (6A and 6B) could be separated using column chromatography, and a single crystal of the syn isomer 6A suitable for X-ray crystal structure analysis was obtained, thereby confi rming the syn orientation. The syn and anti isomers of the dinorbornyl-18-crown-6 ether family were successfully prepared employing a different synthetic strategy, involving the potassium–templated cyclization of two bis-hydroxyethoxy-substituted exo-cis-2,3-norbornyl groups under high dilution conditions. Attempts to fully separate cis-syn-cis di-norbornano-18-crown-6 (10A) and cis-anti-cis di-norbornano-18-crown-6 (10B) from one another using column chromatography were unsuccessful. All intermediates and products were checked for purity using either thin layer chromatography or gas chromatography, and characterized by proton and carbon NMR. Crown ethers 6AB and 10AB are to our knowledge the fi rst crown ethers to incorporate the exo-cis-2,3-norbornyl moiety into the crown ring to be successfully synthesized and characterized.

  13. Determination of Methyl tert-Butyl Ether and tert-Butyl Alcohol...

    Office of Scientific and Technical Information (OSTI)

    ... Authors: Oh, Keun-Chan ; Stringfellow, William T. Publication Date: 2003-10-02 OSTI Identifier: 820662 Report Number(s): LBNL--53866 R&D Project: G41101; TRN: US200405%%70 DOE ...

  14. Radiation chemistry of alternative fuel oxygenates -- Substituted ethers

    SciTech Connect (OSTI)

    Mezyk, S. P.; Cooper, W. J.; Bartels, D. M.; Tobien, T.; O'Shea, K. E.

    1999-11-15

    The electron beam process, an advanced oxidation and reduction technology, is based in the field of radiation chemistry. Fundamental to the development of treatment processes is an understanding of the underlying chemistry. The authors have previously evaluated the bimolecular rate constants for the reactions of methyl tert-butyl ether (MTBE) and with this study have extended their studies to include ethyl tert-butyl ether (ETBE), di-isopropyl ether (DIPE) and tert-amyl methyl ether (TAME) with the hydroxyl radical, hydrogen atom and solvated electron using pulse radiolysis. For all of the oxygenates the reaction with the hydroxyl radical appears to be of primary interest in the destruction of the compounds in water. The rates with the solvated electron are limiting values as the rates appear to be relatively low. The hydrogen atom rate constants are relatively low, coupled with the low yield in radiolysis, they concluded that these are of little significance in the destruction of the alternative fuel oxygenates (and MTBE).

  15. Crown ethers in graphene

    SciTech Connect (OSTI)

    Guo, Junjie; Lee, Jaekwang; Contescu, Cristian I; Gallego, Nidia C; Pantelides, Sokrates T.; Pennycook, Stephen J; Moyer, Bruce A; Chisholm, Matthew F

    2014-01-01

    Crown ethers, introduced by Pedersen1, are at their most basic level neutral rings constructed of oxygen atoms linked by two- or three-carbon chains. They have attracted special attention for their ability to selectively incorporate various atoms2 or molecules within the cavity formed by the ring3-6. This property has led to the use of crown ethers and their compounds in a wide range of chemical and biological applications7,8. However, crown ethers are typically highly flexible, frustrating efforts to rigidify them for many uses that demand higher binding affinity and selectivity9,10. In this Letter, we report atomic-resolution images of the same basic structures of the original crown ethers embedded in graphene. This arrangement constrains the crown ethers to be rigid and planar and thus uniquely suited for the many applications that crown ethers are known for. First-principles calculations show that the close similarity of the structures seen in graphene with those of crown ether molecules also extends to their selectivity towards specific metal cations depending on the ring size. Atoms (or molecules) incorporated within the crown ethers in graphene offer a simple environment that can be easily and systematically probed and modeled. Thus, we expect that this discovery will introduce a new wave of investigations and applications of chemically functionalized graphene.

  16. Reaction Pathways and Energetics of Etheric C−O Bond Cleavage Catalyzed by Lanthanide Triflates

    SciTech Connect (OSTI)

    Assary, Rajeev S.; Atesin, Abdurrahman C.; Li, Zhi; Curtiss, Larry A.; Marks, Tobin J.

    2013-07-15

    Efficient and selective cleavage of etheric C−O bonds is crucial for converting biomass into platform chemicals and liquid transportation fuels. In this contribution, computational methods at the DFT B3LYP level of theory are employed to understand the efficacy of lanthanide triflate catalysts (Ln(OTf)3, Ln = La, Ce, Sm, Gd, Yb, and Lu) in cleaving etheric C−O bonds. In agreement with experiment, the calculations indicate that the reaction pathway for C−O cleavage occurs via a C−H → O−H proton transfer in concert with weakening of the C−O bond of the coordinated ether substrate to ultimately yield a coordinated alkenol. The activation energy for this process falls as the lanthanide ionic radius decreases, reflecting enhanced metal ion electrophilicity. Details of the reaction mechanism for Yb(OTf)3-catalyzed ring opening are explored in depth, and for 1-methyl-d3-butyl phenyl ether, the computed primary kinetic isotope effect of 2.4 is in excellent agreement with experiment (2.7), confirming that etheric ring-opening pathway involves proton transfer from the methyl group alpha to the etheric oxygen atom, which is activated by the electrophilic lanthanide ion. Calculations of the catalytic pathway using eight different ether substrates indicate that the more rapid cleavage of acyclic versus cyclic ethers is largely due to entropic effects, with the former C−O bond scission processes increasing the degrees of freedom/particles as the transition state is approached.

  17. Alternative Fuels Data Center: Dimethyl Ether

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Dimethyl Ether to someone by E-mail Share Alternative Fuels Data Center: Dimethyl Ether on Facebook Tweet about Alternative Fuels Data Center: Dimethyl Ether on Twitter Bookmark Alternative Fuels Data Center: Dimethyl Ether on Google Bookmark Alternative Fuels Data Center: Dimethyl Ether on Delicious Rank Alternative Fuels Data Center: Dimethyl Ether on Digg Find More places to share Alternative Fuels Data Center: Dimethyl Ether on AddThis.com... More in this section... Biobutanol Dimethyl Ether

  18. Butyl Fuel LLC formerly Environmental Energy Inc | Open Energy...

    Open Energy Info (EERE)

    Butyl Fuel LLC formerly Environmental Energy Inc Jump to: navigation, search Name: Butyl Fuel LLC (formerly Environmental Energy Inc) Place: Ohio Zip: 43004 Product:...

  19. Propenyl ether monomers for photopolymerization

    DOE Patents [OSTI]

    Crivello, J.V.

    1996-10-22

    Propenyl ether monomers of formula A(OCH{double_bond}CHCH{sub 3}){sub n} wherein n is an integer from one to six and A is selected from cyclic ethers, polyether and alkanes are disclosed. The monomers are readily polymerized in the presence of cationic photoinitiators, when exposed to actinic radiation, to form poly(propenyl ethers) that are useful for coatings, sealants, varnishes and adhesives. Compositions for preparing polymeric coatings comprising the compounds of the above formula together with particular cationic photoinitiators are also disclosed, as are processes for making the monomers from allyl halides and readily available alcohols. The process involves rearranging the resulting allyl ethers to propenyl ethers.

  20. Propenyl ether monomers for photopolymerization

    DOE Patents [OSTI]

    Crivello, James V.

    1996-01-01

    Propenyl ether monomers of formula V A(OCH.dbd.CHCH.sub.3).sub.n wherein n is an integer from one to six and A is selected from cyclic ethers, polyether and alkanes are disclosed. The monomers are readily polymerized in the presence of cationic photoinitiators, when exposed to actinic radiation, to form poly(propenyl ethers) that are useful for coatings, sealants, varnishes and adhesives. Compositions for preparing polymeric coatings comprising the compounds of formula V together with particular cationic photoinitiators are also disclosed, as are processes for making the monomers from allyl halides and readily available alcohols. The process involves rearranging the resulting allyl ethers to propenyl ethers.

  1. Process for producing high purity isoolefins and dimers thereof by dissociation of ethers

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A.; Jones, Jr., Edward M.; Hearn, Dennis

    1984-01-01

    Alkyl tertiary butyl ether or alkyl tertiary amyl ether is dissociated by vapor phase contact with a cation acidic exchange resin at temperatures in the range of 150.degree. to 250.degree. F. at LHSV of 0.1 to 20 to produce a stream consisting of unreacted ether, isobutene or isoamylene and an alcohol corresponding to the alkyl radical. After the alcohol is removed, the ether/isoolefin stream may be fractionated to obtain a high purity isoolefin (99+%) or the ether/isoolefin stream can be contacted in liquid phase with a cation acidic exchange resin to selectively dimerize the isoolefin in a highly exothermic reaction, followed by fractionation of the dimerization product to produce high purity diisoolefin (97+%). In the case where the alkyl is C.sub.3 to C.sub.6 and the corresponding alcohol is produced on dissociation of the ether, combined dissociation-distillation may be carried out such that isoolefin is the overhead product and alcohol the bottom.

  2. Process for producing high purity isoolefins and dimers thereof by dissociation of ethers

    DOE Patents [OSTI]

    Smith, L.A. Jr.; Jones, E.M. Jr.; Hearn, D.

    1984-05-08

    Alkyl tertiary butyl ether or alkyl tertiary amyl ether is dissociated by vapor phase contact with a cation acidic exchange resin at temperatures in the range of 150 to 250 F at LHSV of 0.1 to 20 to produce a stream consisting of unreacted ether, isobutene or isoamylene and an alcohol corresponding to the alkyl radical. After the alcohol is removed, the ether/isoolefin stream may be fractionated to obtain a high purity isoolefin (99+%) or the ether/isoolefin stream can be contacted in liquid phase with a cation acidic exchange resin to selectively dimerize the isoolefin in a highly exothermic reaction, followed by fractionation of the dimerization product to produce high purity diisoolefin (97+%). In the case where the alkyl is C[sub 3] to C[sub 6] and the corresponding alcohol is produced on dissociation of the ether, combined dissociation-distillation may be carried out such that isoolefin is the overhead product and alcohol the bottom. 2 figs.

  3. Sulfonimide-containing poly(arylene ether)s and poly(arylene ether sulfone)s, methods for producing the same, and uses thereof

    DOE Patents [OSTI]

    Hofmann, Michael A.

    2006-11-14

    The present invention is directed to sulfonimide-containing polymers, specifically sulfonimide-containing poly(arylene ether)s and sulfonimide-containing poly(arylene ether sulfone)s, and processes for making the sulfonimide-containing poly(arylene ether)s and sulfonimide-containing poly(arylene ether sulfone)s, for use conductive membranes and fuel cells.

  4. Aza crown ether compounds as anion receptors

    DOE Patents [OSTI]

    Lee, Hung Sui; Yang, Xiao-Oing; McBreen, James

    1998-08-04

    A family of aza-ether based compounds including linear, multi-branched and aza-crown ethers is provided. When added to non-aqueous battery electrolytes, the new family of aza-ether based compounds acts as neutral receptors to complex the anion moiety of the electrolyte salt thereby increasing the conductivity and the transference number of LI.sup.+ ion in alkali metal batteries.

  5. Aza crown ether compounds as anion receptors

    DOE Patents [OSTI]

    Lee, H.S.; Yang, X.O.; McBreen, J.

    1998-08-04

    A family of aza-ether based compounds including linear, multi-branched and aza-crown ethers is provided. When added to non-aqueous battery electrolytes, the new family of aza-ether based compounds acts as neutral receptors to complex the anion moiety of the electrolyte salt thereby increasing the conductivity and the transference number of LI{sup +} ion in alkali metal batteries. 3 figs.

  6. Crown ethers in graphene (Journal Article) | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Crown ethers in graphene Prev Next Title: Crown ethers in graphene Crown ethers, ... them for many uses that demand higher binding affinity and selectivity9,10. In this ...

  7. Alternative Fuels lDimethyl Ether Rheology and Materials Studies...

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

    Fuels lDimethyl Ether Rheology and Materials Studies Alternative Fuels lDimethyl Ether Rheology and Materials Studies 2004 Diesel Engine Emissions Reduction (DEER) Conference ...

  8. Conversion of Lignocellulosic Biomass to Ethanol and Butyl Acrylate

    SciTech Connect (OSTI)

    Binder, Thomas; Erpelding, Michael; Schmid, Josef; Chin, Andrew; Sammons, Rhea; Rockafellow, Erin

    2015-04-10

    Conversion of Lignocellulosic Biomass to Ethanol and Butyl Acrylate. The purpose of Archer Daniels Midlands Integrated Biorefinery (IBR) was to demonstrate a modified acetosolv process on corn stover. It would show the fractionation of crop residue to distinct fractions of cellulose, hemicellulose, and lignin. The cellulose and hemicellulose fractions would be further converted to ethanol as the primary product and a fraction of the sugars would be catalytically converted to acrylic acid, with butyl acrylate the final product. These primary steps have been demonstrated.

  9. Crown ethers in graphene (Journal Article) | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Crown ethers in graphene Prev Next Title: Crown ethers in graphene You are ... them for many uses that demand higher binding affinity and selectivity9,10. In this ...

  10. Crown ethers in graphene (Journal Article) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Crown ethers in graphene Citation Details In-Document Search Title: Crown ethers in ... them for many uses that demand higher binding affinity and selectivity9,10. In this ...

  11. Process for making propenyl ethers and photopolymerizable compositions containing them

    DOE Patents [OSTI]

    Crivello, J.V.

    1996-01-23

    Propenyl ether monomers of formula A(OCH{double_bond}CHCH{sub 3}){sub n} (V) wherein n is an integer from one to six and A is selected from cyclic ethers, polyether, and alkanes are disclosed. The monomers are readily polymerized in the presence of cationic photoinitiators, when exposed to actinic radiation, to form poly(propenyl ethers) that are useful for coatings, sealants, varnishes and adhesives. Compositions for preparing polymeric coatings comprising the compounds of formula V together with particular cationic photoinitiators are also disclosed, as are processes for making the monomers from allyl halides and readily available alcohols. The process involves rearranging the resulting allyl ethers to propenyl ethers.

  12. Process for making propenyl ethers and photopolymerizable compositions containing them

    DOE Patents [OSTI]

    Crivello, James V.

    1996-01-01

    Propenyl ether monomers of formula V A(OCH.dbd.CHCH.sub.3).sub.n wherein n is an integer from one to six and A is selected from cyclic ethers, polyether and alkanes are disclosed. The monomers are readily polymerized in the presence of cationic photoinitiators, when exposed to actinic radiation, to form poly(propenyl ethers) that are useful for coatings, sealants, varnishes and adhesives. Compositions for preparing polymeric coatings comprising the compounds of formula V together with particular cationic photoinitiators are also disclosed, as are processes for making the monomers from allyl halides and readily available alcohols. The process involves rearranging the resulting allyl ethers to propenyl ethers.

  13. Conversion of Lignocellulosic Biomass to Ethanol Butyl Acrylate

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

    Conversion of Lignocellulosic Biomass to Ethanol and Butyl Acrylate March 25, 2015 Principal Investigator Thomas P. Binder ARCHER DANIELS MIDLAND COMPANY 2 Where does ADM fit with the IBR? * Ensuring a supply of technology for future growth is a priority for ADM Research * Corn stover utilization may enable continued growth in starch supply while starting a new industry around a currently underutilized material James R Randall Research Center Decatur, IL ARCHER DANIELS MIDLAND COMPANY 3 Quad

  14. TABLE33.CHP:Corel VENTURA

    Gasoline and Diesel Fuel Update (EIA)

    ethyl tertiary butyl ether (ETBE), tertiary amyl methyl ether (TAME), tertiary butyl alcohol (TBA), and other aliphatic alcohols and ethers intended for motor gasoline blending...

  15. TABLE34.CHP:Corel VENTURA

    Gasoline and Diesel Fuel Update (EIA)

    ethyl tertiary butyl ether (ETBE), tertiary amyl methyl ether (TAME), tertiary butyl alcohol (TBA), and other aliphatic alcohols and ethers intended for motor gasoline blending...

  16. Alternative Fuels lDimethyl Ether Rheology and Materials Studies |

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

    Department of Energy Alternative Fuels lDimethyl Ether Rheology and Materials Studies Alternative Fuels lDimethyl Ether Rheology and Materials Studies 2004 Diesel Engine Emissions Reduction (DEER) Conference Presentation: The Pennsylvania State University 2004_deer_perez.pdf (548.66 KB) More Documents & Publications Research on Fuels & Lubricants Development of a Dimethyl Ether (DME)-Fueled Shuttle Bus Ionic Liquids as Multifunctional Ashless Additives for Engine Lubrication

  17. Divinyl ether synthase gene, and protein and uses thereof

    DOE Patents [OSTI]

    Howe, Gregg A.; Itoh, Aya

    2006-12-26

    The present invention relates to divinyl ether synthase genes, proteins, and methods of their use. The present invention encompasses both native and recombinant wild-type forms of the synthase, as well as mutants and variant forms, some of which possess altered characteristics relative to the wild-type synthase. The present invention also relates to methods of using divinyl ether synthase genes and proteins, including in their expression in transgenic organisms and in the production of divinyl ether fatty acids, and to methods of suing divinyl ether fatty acids, including in the protection of plants from pathogens.

  18. Divinyl ether synthase gene and protein, and uses thereof

    SciTech Connect (OSTI)

    Howe, Gregg A.; Itoh, Aya

    2011-09-13

    The present invention relates to divinyl ether synthase genes, proteins, and methods of their use. The present invention encompasses both native and recombinant wild-type forms of the synthase, as well as mutants and variant forms, some of which possess altered characteristics relative to the wild-type synthase. The present invention also relates to methods of using divinyl ether synthase genes and proteins, including in their expression in transgenic organisms and in the production of divinyl ether fatty acids, and to methods of suing divinyl ether fatty acids, including in the protection of plants from pathogens.

  19. Arylations of coal model systems. [Benzyl phenyl ether and l-naphthylmethyl phenyl ether

    SciTech Connect (OSTI)

    Smith, B.F.; Venier, C.G.; Squires, T.G.

    1984-01-01

    Currently, coal is converted to clean liquids or low melting solids by processes which utilize high temperature, high pressure, or both. These processes occur by thermal bond cleavages and involve the intermediacy of free radicals. In a search for chemistry which could liquefy coal under milder conditions, the authors have focussed on thermally less demanding ionic reactions. Of the functional groups which commonly occur in coals, ethers are the easiest to cleave under acid conditions. Depending on the density of these linkages and their importance as crosslinks in the macromolecular structure of coals, solubilization might be greatly enhanced solely by cleaving and capping either bonds. Benzylic ethers are particularly reactive and have been implicated in the initiation of coal pyrolysis and hydropyrolysis. Arylation, the use of acids to cleave bonds in coals in the presence of aromatic rings to trap the consequent incipient carbonium ions, has a long history. This paper discusses the use of benzyl phenyl ether and l-naphthylmethyl phenyl ether and polymers related to them as models to develop and evaluate the chemistry involved in the arylations. 9 references, 1 figure, 4 tables.

  20. N-butyl Cyanoacrylate Glue Embolization of Arterial Networks to Facilitate

    Office of Scientific and Technical Information (OSTI)

    Hepatic Arterial Skeletonization before Radioembolization (Journal Article) | SciTech Connect N-butyl Cyanoacrylate Glue Embolization of Arterial Networks to Facilitate Hepatic Arterial Skeletonization before Radioembolization Citation Details In-Document Search Title: N-butyl Cyanoacrylate Glue Embolization of Arterial Networks to Facilitate Hepatic Arterial Skeletonization before Radioembolization Purpose. Avoidance of nontarget microsphere deposition via hepatoenteric anastomoses is

  1. Development of a Dimethyl Ether (DME)-Fueled Shuttle Bus | Department...

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

    Development of a Dimethyl Ether (DME)-Fueled Shuttle Bus Chapter 7 - Advancing Systems and Technologies to Produce Cleaner Fuels Alternative Fuels lDimethyl Ether Rheology and ...

  2. Degradation of Imidazolium- and Quaternary Ammonium-Functionalized Poly(fluorenyl ether ketone sulfone) Anion Exchange Membranes

    SciTech Connect (OSTI)

    Chen, DY; Hickner, MA

    2012-11-01

    Imidazolium and quaternary ammonium-functionalized poly(fluorenyl ether ketone sulfone)s were synthesized successfully with the same degree of cationic functionalization and identical polymer backbones for a comparative study of anion exchange membranes (AEMs) for solid-state alkaline membrane fuel cells (AMFCs). Both anion exchange membranes were synthesized using a new methyl-containing monomer that avoided the use of toxic chloromethylation reagents. The polymer chemical structures were confirmed by H-1 NMR and FTIR. The derived AEMs were fully characterized by water uptake, anion conductivity, stability under aqueous basic conditions, and thermal stability. Interestingly, both the cationic groups and the polymer backbone were found to be degraded in 1 M NaOH solution at 60 degrees C over 48 h as measured by changes of ion exchange capacity and intrinsic viscosity. Imidazolium-functionalized poly(fluorenyl ether ketone sulfone)s had similar aqueous alkaline stability to quaternary ammonium-functionalized materials at 60 degrees C but much lower stability at 80 degrees C. This work demonstrates that quaternary ammonium and imidazolium cationic groups are not stable on poly(arylene ether sulfone) backbones under relatively mild conditions. Additionally, the poly(arylene ether sulfone) backbone, which is one of the most common polymers used in ion exchange membrane applications, is not stable in the types of molecular configurations analyzed.

  3. Process for producing dimethyl ether from synthesis gas

    DOE Patents [OSTI]

    Pierantozzi, R.

    1985-06-04

    This invention pertains to a Fischer Tropsch process for converting synthesis gas to an oxygenated hydrocarbon with particular emphasis on dimethyl ether. Synthesis gas comprising carbon monoxide and hydrogen are converted to dimethyl ether by carrying out the reaction in the presence of an alkali metal-manganese-iron carbonyl cluster incorporated onto a zirconia-alumina support.

  4. Process for producing dimethyl ether form synthesis gas

    DOE Patents [OSTI]

    Pierantozzi, Ronald

    1985-01-01

    This invention pertains to a Fischer Tropsch process for converting synthesis gas to an oxygenated hydrocarbon with particular emphasis on dimethyl ether. Synthesis gas comprising carbon monoxide and hydrogen are converted to dimethyl ether by carrying out the reaction in the presence of an alkali metal-manganese-iron carbonyl cluster incorporated onto a zirconia-alumina support.

  5. Hydrogen Atom Reactivity toward Aqueous tert-Butyl Alcohol

    SciTech Connect (OSTI)

    Lymar S. V.; Schwarz, H.A.

    2012-02-09

    Through a combination of pulse radiolysis, purification, and analysis techniques, the rate constant for the H + (CH{sub 3}){sub 3}COH {yields} H{sub 2} + {sm_bullet}CH{sub 2}C(CH{sub 3}){sub 2}OH reaction in aqueous solution is definitively determined to be (1.0 {+-} 0.15) x 10{sup 5} M{sup -1} s{sup -1}, which is about half of the tabulated number and 10 times lower than the more recently suggested revision. Our value fits on the Polanyi-type, rate-enthalpy linear correlation ln(k/n) = (0.80 {+-} 0.05){Delta}H + (3.2 {+-} 0.8) that is found for the analogous reactions of other aqueous aliphatic alcohols with n equivalent abstractable H atoms. The existence of such a correlation and its large slope are interpreted as an indication of the mechanistic similarity of the H atom abstraction from {alpha}- and {beta}-carbon atoms in alcohols occurring through the late, product-like transition state. tert-Butyl alcohol is commonly contaminated by much more reactive secondary and primary alcohols (2-propanol, 2-butanol, ethanol, and methanol), whose content can be sufficient for nearly quantitative scavenging of the H atoms, skewing the H atom reactivity pattern, and explaining the disparity of the literature data on the H + (CH{sub 3}){sub 3}COH rate constant. The ubiquitous use of tert-butyl alcohol in pulse radiolysis for investigating H atom reactivity and the results of this work suggest that many other previously reported rate constants for the H atom, particularly the smaller ones, may be in jeopardy.

  6. Origin of mechanical modifications in poly (ether ether ketone)/carbon nanotube composite

    SciTech Connect (OSTI)

    Pavlenko, Ekaterina; Puech, Pascal; Bacsa, Wolfgang; Boyer, François; Olivier, Philippe; Sapelkin, Andrei; King, Stephen; Heenan, Richard; Pons, François; Gauthier, Bénédicte; Cadaux, Pierre-Henri

    2014-06-21

    Variations in the hardness of a poly (ether ether ketone) beam electrically modified with multi-walled carbon nanotubes (MWCNT, 0.5%-3%) are investigated. It is shown that both rupture and hardness variations correlate with the changes in carbon nanotube concentration when using micro indentation and extended Raman imaging. Statistical analysis of the relative spectral intensities in the Raman image is used to estimate local tube concentration and polymer crystallinity. We show that the histogram of the Raman D band across the image provides information about the amount of MWCNTs and the dispersion of MWCNTs in the composite. We speculate that we have observed a local modification of the ordering between pure and modified polymer. This is partially supported by small angle neutron scattering measurements, which indicate that the agglomeration state of the MWCNTs is the same at the concentrations studied.

  7. Development of specialty chemicals from dimethyl ether

    SciTech Connect (OSTI)

    Tartamella, T.L.; Lee, S.

    1996-12-31

    Dimethyl ether (DME) may be efficiently produced from coal-bases syngas in a high pressure, mechanically agitated slurry reactor. DME synthesis occurs in the liquid phase using a dual catalyst. By operating in a dual catalyst mode, DME may be converted from in-situ produced methanol resulting in higher methyl productivities and syngas conversions over methanol conversion alone. The feasibility of utilizing DME as a building block for more valuable specialty chemicals has been examined. A wide variety of petrochemicals may be produced from DME including light olefins, gasoline range hydrocarbons, oxygenates, and glycol precursors. These chemicals represent an important part of petroleum industries inventory of fine chemicals. Carbonylation, hydrocarbonylation, and oxidative dimerization are but a few of the reactions in which DME may undergo conversion. DME provides an additional route for the production of industrially important petrochemicals.

  8. High pressure injection of dimethyl ether

    SciTech Connect (OSTI)

    Glensvig, M.; Sorenson, S.C.; Abata, D.

    1996-12-31

    Partially oxygenated hydrocarbons produced from natural gas have been shown to be viable alternate fuels for the diesel engine, showing favorable combustion characteristics similar to that of diesel fuel but without exhaust particulates and with significantly reduced NO{sub x} emissions and lower engine noise. Further, engine studies have demonstrated that such compounds, like dimethyl ether (DME), can be injected at much lower pressures than conventional diesel fuel with better overall performance. This experimental study compares the injection of DME to that of conventional diesel fuel. Both fuels were injected into a quiescent high pressure chamber containing Nitrogen at pressures up to 25 atmospheres at room temperature with a pintle nozzle and jerk pump. Comparisons were obtained with high speed photography using a Hycam camera. Results indicate that there are significant differences in spray geometry and penetration which are not predictable with analytical models currently used for diesel fuels.

  9. 20Na

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

    Na β+-Decay Evaluated Data Measurements 1951SH38: 20Na; measured T1/2. 1953HO01: 20Na; measured T1/2. 1964MA44, 1969MAZT: 20Na; measured T1/2, α-spectrum; deduced β-branching. 20Ne deduced levels α-width. 1967SU05: 20Na; measured T1/2; deduced nuclear properties. 1970OA01: 20Na; measured T1/2, βα-coin, βα(θ). 1971GO18: 20Na; measured T1/2; deduced mass excess. 1971MA09: 20Na; measured β-delayed α-spectra; deduced βν anisotropy coefficients. 1971WI07: 20Na; measured T1/2; deduced ft

  10. 18Na

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

    Na Ground-State Decay Evaluated Data Measured Ground-State Γcm(T1/2) for 18Na Adopted value: < 200 keV (2012MU05) Measured Mass Excess for 18Na Adopted value: 25040 ± 110 keV (2012WA38) Measurements 2004ZE05: 9Be(20Mg, 18NaX), E = 43 MeV/nucleon; measured particle spectra, angular correlations, invariant mass following fragment proton decay. 18Na; deduced excited states proton decay features. 2011AS07: 1H(17Ne, 17Ne), 1H(17Ne, X)18Na, E = 4 MeV/nucleon; measured reaction products, proton

  11. 19Na

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

    Na Ground-State Decay Evaluated Data Measured Ground-State Γcm(T1/2) for 19Na Adopted value: < 40 ns (2003AU02) Measured Mass Excess for 19Na Adopted value: 12927 ± 12 keV (2003AU02) Measurements 1969CE01: 24Mg(p, 6He), E = 54.7 MeV; measured σ(E(6He)); deduced Q. 19Na deduced nuclear mass. 1975BE38: 24Mg(3He, 8Li), E = 76.8 MeV; measured σ(E(8Li)); deduced Q. 19Na deduced mass excess. 19Na deduced level. 1975BEZD: 24Mg(3He, 8Li), E = 76.3 MeV; measured σ(E(8Li)). 19Na deduced mass

  12. Atmospheric and combustion chemistry of dimethyl ether

    SciTech Connect (OSTI)

    Nielsen, O.J.; Egsgaard, H.; Larsen, E.; Sehested, J.; Wallington, T.J.

    1997-12-31

    It has been demonstrated that dimethyl ether (DME) is an ideal diesel fuel alternative. DME, CH{sub 3}OCH{sub 3}, combines good fuel properties with low exhaust emissions and low combustion noise. Large scale production of this fuel can take place using a single step catalytic process converting CH{sub 4} to DME. The fate of DME in the atmosphere has previously been studied. The atmospheric degradation is initiated by the reaction with hydroxyl radicals, which is also a common feature of combustion processes. Spectrokinetic investigations and product analysis were used to demonstrate that the intermediate oxy radical, CH{sub 3}OCH{sub 2}O, exhibits a novel reaction pathway of hydrogen atom ejection. The application of tandem mass spectrometry to chemi-ions based on supersonic molecular beam sampling has recently been demonstrated. The highly reactive ionic intermediates are sampled directly from the flame and identified by collision activation mass spectrometry and ion-molecule reactions. The mass spectrum reflects the distribution of the intermediates in the flame. The atmospheric degradation of DME as well as the unique fuel properties of a oxygen containing compound will be discussed.

  13. Tropospheric oxidation mechanism of dimethyl ether and methyl formate

    SciTech Connect (OSTI)

    Good, D.A.; Francisco, J.S.

    2000-02-17

    The oxidation mechanism of dimethyl ether is investigated using ab initio methods. The structure and energetics of reactants, products, and transition structures are determined for all pathways involved in the oxidation mechanism. The detailed pathways leading to the experimentally observed products of dimethyl ether oxidation are presented. The energetics of over 50 species and transition structures involved in the oxidation process are calculated with G2 and G2(MP2) energies. The principal pathway following the initial attack of dimethyl ether (CH{sub 3}OCH{sub 3}) by the OH radical is the formation of the methoxymethyl radical (CH{sub 2}OCH{sub 3}). Oxidation steps lead to the formation of methyl formate, which is consistent with the experimentally observed products. Oxidation pathways of methyl formate are also considered.

  14. Mechanisms of Selective Cleavage of C-O Bonds in Di-aryl Ethers...

    Office of Scientific and Technical Information (OSTI)

    Selective Cleavage of C-O Bonds in Di-aryl Ethers in Aqueous Phase Citation Details In-Document Search Title: Mechanisms of Selective Cleavage of C-O Bonds in Di-aryl Ethers in ...

  15. Li-air batteries having ether-based electrolytes

    DOE Patents [OSTI]

    Amine, Khalil; Curtiss, Larry A; Lu, Jun; Lau, Kah Chun; Zhang, Zhengcheng; Sun, Yang-Kook

    2015-03-03

    A lithium-air battery includes a cathode including a porous active carbon material, a separator, an anode including lithium, and an electrolyte including a lithium salt and polyalkylene glycol ether, where the porous active carbon material is free of a metal-based catalyst.

  16. CATALYSTS FOR HIGH CETANE ETHERS AS DIESEL FUELS

    SciTech Connect (OSTI)

    Kamil Klier; Richard G. Herman; James G.C. Shen; Qisheng Ma

    2000-08-31

    A novel 1,2-ethanediol, bis(hydrogen sulfate), disodium salt precursor-based solid acid catalyst with a zirconia substrate was synthesized and demonstrated to have significantly enhanced activity and high selectivity in producing methyl isobutyl ether (MIBE) or isobutene from methanol-isobutanol mixtures. The precursor salt was synthesized and provided by Dr. T. H. Kalantar of the M.E. Pruitt Research Center, Dow Chemical Co., Midland, MI 48674. Molecular modeling of the catalyst synthesis steps and of the alcohol coupling reaction is being carried out. A representation of the methyl transfer from the surface activated methanol molecule (left) to the activated oxygen of the isobutanol molecule (right) to form an ether linkage to yield MIBE is shown.

  17. Ether and ester derivatives of the perborate icosahedron

    DOE Patents [OSTI]

    Hawthorne, M. Frederick; Peymann, Toralf; Maderna, Andreas

    2003-12-16

    New boron icosahedral ethers and esters formed from Cs.sub.2 [closo-B.sub.12 (OH).sub.12 ],; Cs[closo-1-H-1-CB.sub.11 (OH).sub.11 ]; and closo-1,12-H.sub.2 -1,12-C.sub.2 B.sub.10 (OH).sub.10 are disclosed. Also set forth are their preparation by reacting the icosahedral boranes [closo-B.sub.12 H.sub.12 ].sup.2-, [closo-1-CB.sub.11 H.sub.12 ].sup.- and closo-1,12-(CH.sub.2 OH).sub.2 -1,12-C.sub.2 B.sub.10 H.sub.10 with an acid anhdride or acid chloride to form the ester or an alkylating agent to form the ether.

  18. 2' and 3' Carboranyl uridines and their diethyl ether adducts

    DOE Patents [OSTI]

    Soloway, Albert H.; Barth, Rolf F.; Anisuzzaman, Abul K.; Alam, Fazlul; Tjarks, Werner

    1992-01-01

    There is disclosed a process for preparing carboranyl uridine nucleoside compounds and their diethyl ether adducts, which exhibit a tenfold increase in boron content over prior art boron containing nucleoside compounds. Said carboranyl uridine nucleoside compounds exhibit enhanced lipophilicity and hydrophilic properties adequate to enable solvation in aqueous media for subsequent incorporation of said compounds in methods for boron neutron capture therapy in mammalian tumor cells.

  19. High octane ethers from synthesis gas-derived alcohol

    SciTech Connect (OSTI)

    Klier, K.; Herman, R.G.; Bastian, R.D.; DeTavernier, S. . Dept. of Chemistry Lehigh Univ., Bethlehem, PA . Zettlemoyer Center for Surface Studies)

    1991-01-01

    The objective of the proposed research is to synthesize high octane ethers directly from coal-derived synthesis gas via alcohol mixtures that are rich in methanol and isobutanol. The overall scheme involves gasification of coal, purification and shifting of the synthesis gas, higher alcohol synthesis, and direct synthesis of ethers. Commercial acid and superacid resin catalysts were obtained and tested under one set of conditions to compare the activities and selectivities for forming the unsymmetric methylisobutylether (MIBE) by coupling methanol with isobutanol. It was found that both Nafion-H microsaddles and Amberlyst-15 resins are active for this synthesis reaction. While and the Nafion-H catalyst does form the MIBE product fairly selectively under the reaction conditions utilized, the Amberlyst-15 catalyst formed dimethylether (DME) as the major product. In addition, significantly larger quantities of the C{sub 4} hydrocarbon products were observed over the Amberlyst-15 catalyst at 123{degree}C and 13.6 atm. It has been demonstrated that methyltertiarybutylether (MTBE) MIBE, DME and diisobutylether (DIBE) are separated and quantitatively determined by using the proper analytical conditions. In order to gain insight into the role of superacidity in promoting the selective coupling of the alcohols to form the unsymmetric ether, the strengths of the acid sites on the catalysts are being probed by thermometric titrations in non-aqueous solutions. 18 refs., 20 figs., 4 tabs.

  20. Methyl aryl ethers from coal liquids as gasoline extenders and octane improvers

    SciTech Connect (OSTI)

    Singerman, G.M.

    1980-11-01

    A mixture of methyl aryl ethers derived from the phenols present in direct liquefaction coal liquids shows considerable promise as a gasoline blending agent and octane improver. The mixture of methyl aryl ethers was blended at five volume percent with a commercial, unleaded gasoline. The properties and performance of the blend in a variety of laboratory and automotive tests is reported. The tests show that the mixture of methyl aryl ethers improves gasoline octane without degrading other gasoline properties.

  1. Thermodynamics of Hydrogen Production from Dimethyl Ether Steam Reforming and Hydrolysis

    SciTech Connect (OSTI)

    T.A. Semelsberger

    2004-10-01

    The thermodynamic analyses of producing a hydrogen-rich fuel-cell feed from the process of dimethyl ether (DME) steam reforming were investigated as a function of steam-to-carbon ratio (0-4), temperature (100 C-600 C), pressure (1-5 atm), and product species: acetylene, ethanol, methanol, ethylene, methyl-ethyl ether, formaldehyde, formic acid, acetone, n-propanol, ethane and isopropyl alcohol. Results of the thermodynamic processing of dimethyl ether with steam indicate the complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide for temperatures greater than 200 C and steam-to-carbon ratios greater than 1.25 at atmospheric pressure (P = 1 atm). Increasing the operating pressure was observed to shift the equilibrium toward the reactants; increasing the pressure from 1 atm to 5 atm decreased the conversion of dimethyl ether from 99.5% to 76.2%. The order of thermodynamically stable products in decreasing mole fraction was methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol, methyl-ethyl ether and methanol--formaldehyde, formic acid, and acetylene were not observed. The optimal processing conditions for dimethyl ether steam reforming occurred at a steam-to-carbon ratio of 1.5, a pressure of 1 atm, and a temperature of 200 C. Modeling the thermodynamics of dimethyl ether hydrolysis (with methanol as the only product considered), the equilibrium conversion of dimethyl ether is limited. The equilibrium conversion was observed to increase with temperature and steam-to-carbon ratio, resulting in a maximum dimethyl ether conversion of approximately 68% at a steam-to-carbon ratio of 4.5 and a processing temperature of 600 C. Thermodynamically, dimethyl ether processed with steam can produce hydrogen-rich fuel-cell feeds--with hydrogen concentrations exceeding 70%. This substantiates dimethyl ether as a viable source of hydrogen for PEM fuel cells.

  2. Supply Impacts of an MTBE Ban

    Reports and Publications (EIA)

    2002-01-01

    This paper analyzes the supply impacts of removing methyl tertiary butyl ether (MTBE) from gasoline.

  3. On the radiation stability of crown ethers in ionic liquids.

    SciTech Connect (OSTI)

    Shkrob, I.; Marin, T.; Dietz, M.

    2011-04-14

    Crown ethers (CEs) are macrocyclic ionophores used for the separation of strontium-90 from acidic nuclear waste streams. Room temperature ionic liquids (ILs) are presently being considered as replacements for traditional molecular solvents employed in such separations. It is desirable that the extraction efficacy obtained with such solvents should not deteriorate in the strong radiation fields generated by decaying radionuclides. This deterioration will depend on the extent of radiation damage to both the IL solvent and the CE solute. While radiation damage to ILs has been extensively studied, the issue of the radiation stability of crown ethers, particularly in an IL matrix, has not been adequately addressed. With this in mind, we have employed electron paramagnetic resonance (EPR) spectroscopy to study the formation of CE-related radicals in the radiolysis of selected CEs in ILs incorporating aromatic (imidazolium and pyridinium) cations. The crown ethers have been found to yield primarily hydrogen loss radicals, H atoms, and the formyl radical. In the low-dose regime, the relative yield of these radicals increases linearly with the mole fraction of the solute, suggesting negligible transfer of the excitation energy from the solvent to the solute; that is, the solvent has a 'radioprotective' effect. The damage to the CE in the loading region of practical interest is relatively low. Under such conditions, the main chemical pathway leading to decreased extraction performance is protonation of the macrocycle. At high radiation doses, sufficient to increase the acidity of the IL solvent significantly, such proton complexes compete with the solvent cations as electron traps. In this regime, the CEs will rapidly degrade as the result of H abstraction from the CE ring by the released H atoms. Thus, the radiation dose to which a CE/IL system is exposed must be maintained at a level sufficiently low to avoid this regime.

  4. An aging study of wire chambers with dimethyl ether

    SciTech Connect (OSTI)

    Jibaly, M.; Chrusch, P. Jr.; Hilgenberg, G.; Majewski, S.; Wojcik, R.; Sauli, F.; Gaudaen, J.

    1989-02-01

    The authors report results on the aging of different types of resistive and non-resistive wires in wire chambers filled with dimethyl ether (DME) of varying degrees of purity. Among the Freon impurities detected in our DME batches, only Freon-11 was found to contribute to the aging process. Of the resistive wires, Nicotin and Stablohm produced fast aging, whereas stainless steel withstood extended irradiation in purified DME (up to 1 C/cm) without any apparent damage. Gold-plated tungsten and molybdenum wires produced results comparable to those of the stainless steel.

  5. Dimethyl ether production from methanol and/or syngas

    DOE Patents [OSTI]

    Dagle, Robert A; Wang, Yong; Baker, Eddie G; Hu, Jianli

    2015-02-17

    Disclosed are methods for producing dimethyl ether (DME) from methanol and for producing DME directly from syngas, such as syngas from biomass. Also disclosed are apparatus for DME production. The disclosed processes generally function at higher temperatures with lower contact times and at lower pressures than conventional processes so as to produce higher DME yields than do conventional processes. Certain embodiments of the processes are carried out in reactors providing greater surface to volume ratios than the presently used DME reactors. Certain embodiments of the processes are carried out in systems comprising multiple microchannel reactors.

  6. DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT

    SciTech Connect (OSTI)

    Elana M. Chapman; Shirish Bhide; Andre L. Boehman; David Klinikowski

    2003-04-01

    The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethyl ether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. The strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. Within the Combustion Laboratory of the Penn State Energy Institute, they have installed and equipped a Navistar V-8 direct-injection turbodiesel engine for measurement of gaseous and particulate emissions and examination of the impact of fuel composition on diesel combustion. They have also reconfigured a high-pressure viscometer for studies of the viscosity, bulk modulus (compressibility) and miscibility of blends of diesel fuel, dimethyl ether and lubricity additives. The results include baseline emissions, performance and combustion measurements on the Navistar engine for operation on a federal low sulfur diesel fuel (300 ppm S). Most recently, they have examined blends of an oxygenated fuel additive (a liquid fuel called CETANER{trademark}) produced by Air Products, for comparison with dimethyl ether blended at the same weight of oxygen addition, 2 wt.%. While they have not operated the engine on DME yet, they are now preparing to do so. A fuel system for delivery of DME/Diesel blends has been configured

  7. Structure and Reactivity of Alkyl Ethers Adsorbed on CeO2(111) Model Catalysts

    SciTech Connect (OSTI)

    F Calaza; T Chen; D Mullins; S Overbury

    2011-12-31

    The effect of surface hydroxyls on the adsorption of ether on ceria was explored. Adsorption of dimethyl ether (DME) and diethyl ether (DEE) on oxidized and reduced CeO{sub 2}(111) films was studied and compared with Ru(0001) using RAIRS and sXPS within a UHV environment. On Ru(0001) the ethers adsorb weakly with the molecular plane close to parallel to the surface plane. On the ceria films, the adsorption of the ethers was stronger than on the metal surface, presumably due to stronger interaction of the ether oxygen lone pair electrons with a cerium cation. This interaction causes the ethers to tilt away from the surface plane compared to the Ru(0001) surface. No pronounced differences were found between oxidized (CeO{sub 2}) and reduced (CeOx) films. The adsorption of the ethers was found to be perturbed by the presence of OH groups on hydroxylated CeOx. In the case of DEE, the geometry of adsorption resembles that found on Ru, and in the case of dimethyl ether DME is in between that one found on clean CeOx and the metal surface. Decomposition of the DEE was observed on the OH/CeOx surface following high DEE exposure at 300 K and higher temperatures. Ethoxides and acetates were identified as adsorbed species on the surface by means of RAIRS and ethoxides and formates by s-XPS. No decomposition of dimethyl ether was observed on the OH/CeOx at these higher temperatures, implying that the dissociation of the C-O bond from ethers requires the presence of {beta}-hydrogen.

  8. Structure and Reactivity of Alkyl Ethers Adsorbed on CeO(2)(111) Model Catalysts

    SciTech Connect (OSTI)

    Calaza, Florencia C; Chen, Tsung-Liang; Mullins, David R; Overbury, Steven {Steve} H

    2011-01-01

    The effect of surface hydroxyls on the adsorption of ether on ceria was explored. Adsorption of dimethyl ether (DME) and diethyl ether (DEE) on oxidized and reduced CeO{sub 2}(111) films was studied and compared with Ru(0001) using RAIRS and sXPS within a UHV environment. On Ru(0001) the ethers adsorb weakly with the molecular plane close to parallel to the surface plane. On the ceria films, the adsorption of the ethers was stronger than on the metal surface, presumably due to stronger interaction of the ether oxygen lone pair electrons with a cerium cation. This interaction causes the ethers to tilt away from the surface plane compared to the Ru(0001) surface. No pronounced differences were found between oxidized (CeO{sub 2}) and reduced (CeOx) films. The adsorption of the ethers was found to be perturbed by the presence of OH groups on hydroxylated CeOx. In the case of DEE, the geometry of adsorption resembles that found on Ru, and in the case of dimethyl ether DME is in between that one found on clean CeOx and the metal surface. Decomposition of the DEE was observed on the OH/CeOx surface following high DEE exposure at 300 K and higher temperatures. Ethoxides and acetates were identified as adsorbed species on the surface by means of RAIRS and ethoxides and formates by s-XPS. No decomposition of dimethyl ether was observed on the OH/CeOx at these higher temperatures, implying that the dissociation of the C-O bond from ethers requires the presence of {beta}-hydrogen.

  9. Dimethyl ether synthesis from syngas in slurry phase

    SciTech Connect (OSTI)

    Han, Y.Z.; Fujimoto, K.; Shikata, T.

    1997-12-31

    Dimethyl ether (DME) is one of the important chemicals derived from synthesis gas. It can be widely used in syngas conversion, production of olefins, or MTG gasoline. Recently, is has been noticed as a substitute of LPG used as home fuel. In the present study, dimethyl ether was effectively synthesized from CO rich syngas (H{sub 2}/CO=1/1) over hybrid catalyst containing a Cu-Zn-Al(O) based methanol synthesis catalyst and {gamma}-alumina in an agitated slurry reactor under relatively mild reaction conditions: temperature 230--300 C, pressure 2.0--5.0 MPa, contact time 2.0--10 gram-cat.-h/mol. The catalysts used as the methanol active components were commercially available Cu-Zn-Al(O) based catalysts, BASF S385 and ICI 51-2. Two kinds of {gamma}-alumina ALO4 (standard catalyst of the Catalysis Society of Japan) and N612N (NIKKI Co., Japan) were used as the methanol dehydration components. The slurry was prepared by mixing the fine powder (<100 mesh) of catalyst components with purified n-hexadecane. The catalysts were reduced by a mixing gas containing 20% syngas and 80% nitrogen with a three-hour programmed temperature raising from room temperature to the final temperature. All products were analyzed by gas chromatographs. Results are given and discussed.

  10. Rational Design of Cesium-Selective Ionophores and Chemosensors: Dihydrocalix[4]arene Crown-6 Ethers

    SciTech Connect (OSTI)

    Sachleben, Richard A.; Bryan, Jeffrey C.; Brown, Gilbert M.; Engle, Nancy L.; Haverlock, Tamara J.; Hay, Benjamin P.; Urvoas, Agathe; Moyer, Bruce A.

    2003-12-15

    Molecular mechanics calculations performed on calix[4]arene crown-6 ethers predict that the 1,3-dihydro derivatives will exhibit greater complementarity for potassium and cesium ions than the parent 1,3-dialkoxy calix crowns. The X-ray crystal structures of 1,3-alt bis-octyloxycalix[4]arene benzocrown-6 ether, dihydrocalix[4]arene benzocrown-6 ether, and the cesium nitrate complex of dihydrocalix[4]arene benzocrown-6 ether were determined. The cesium complex structure corresponds closely to the structure predicted by molecular mechanics. The dihydrocalix[4]arene crown-6 ethers exhibit enhanced cesium selectivity in the extraction of alkali metal salts and provide a platform for a highly sensitive and selective cesium chemosensor.

  11. Photoresponsive Release from Azobenzene-Modified Single Cubic Crystal NaCl/Silica Particles

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

    Jiang, Xingmao; Liu, Nanguo; Assink, Roger A.; Jiang, Yingbing; Brinker, C. Jeffrey

    2011-01-01

    Azobenzene ligands were uniformly anchored to the pore surfaces of nanoporous silica particles with single crystal NaCl using 4-(3-triethoxysilylpropylureido)azobenzene (TSUA). The functionalization delayed the release of NaCl significantly. The modified particles demonstrated a photocontrolled release by trans/cis isomerization of azobenzene moieties. The addition of amphiphilic solvents, propylene glycol (PG), propylene glycol propyl ether (PGPE), and dipropylene glycol propyl ether (DPGPE) delayed the release in water, although the wetting behavior was improved and the delay is the most for the block molecules with the longest carbon chain. The speedup by UV irradiation suggests a strong dependence of diffusion on the switchablemore » pore size. TGA, XRD, FTIR, and NMR techniques were used to characterize the structures.« less

  12. Role of acid catalysis in dimethyl ether conversion processes

    SciTech Connect (OSTI)

    Tartamella, T.L.; Lee, S.

    1996-12-31

    Acidity plays an important role in the conversion of methanol and dimethyl ether (DME) to hydrocarbons and oxygenates. In the conversion to hydrocarbons over zeolite catalyst, Broensted acidity is the main contributor to the first hydrocarbon formed. Here, acidity is also an important factor in determining olefin, paraffin, and aromatic content in the final product distribution. Catalyst life has also been found to be related to acidity content in zeolites. DME conversion to oxygenates is especially dependent on high acidity catalysts. Superacids like BF{sub 3}, HF-BF{sub 3}, and CF{sub 3}COOH have been used in the past for conversion of DME in carbonylation reactions to form methyl acetate and acetic acid at high pressures. Recently, heteropoly acids and their corresponding metal substituted salts have been used to convert DME to industrially important petrochemicals resulting in shorter reaction times and without the use of harsh operating conditions.

  13. Dimethyl ether fuel proposed as an alternative to LNG

    SciTech Connect (OSTI)

    Kikkawa, Yoshitsugi; Aoki, Ichizo

    1998-04-06

    To cope with the emerging energy demand in Asia, alternative fuels to LNG must be considered. Alternative measures, which convert the natural gas to liquid fuel, include the Fischer-Tropsch conversion, methanol synthesis, and dimethyl ether (DME) synthesis. Comparisons are evaluated based on both transportation cost and feed-gas cost. The analysis will show that DME, one alternative to LNG as transportation fuel, will be more economical for longer distances between the natural-gas source and the consumer. LNG requires a costly tanker and receiving terminal. The break-even distance will be around 5,000--7,000 km and vary depending on the transported volume. There will be risk, however, since there has never been a DME plant the size of an LNG-equivalent plant [6 million metric tons/year (mty)].

  14. Shape-selective catalysis in dimethyl ether conversion

    SciTech Connect (OSTI)

    Sardesai, A.; Lee, S.

    1999-07-01

    Coal-derived syngas can be effectively converted to dimethyl ether (DME) in a single-stage, liquid-phase process. This Liquid Phase Dimethyl Ether (LPDME) process utilizes a dual catalytic system, which comprises of a physical blend between the methanol synthesis and the methanol dehydration catalyst slurried in an inert mineral oil. Such produced DME has vast potential as a building block chemical in the petrochemical industry to produce value-added specialty chemicals. The current research efforts are made to exploit the utilization of shape-selective catalysis using zeolites to produce targeted petrochemicals, including lower olefinic hydrocarbons. The catalysts probed in this investigation include zeolites of different physical, morphological, and chemical configurations. The effect of acidity of ZSM-5 type zeolites as well as the effect of the different channel size and orientation of the zeolites on product selectivity and catalyst deactivation are examined. Results obtained from experimentation of this study show that ZSM-5 type zeolite with low acidity (high SiO{sub 2}/Al{sub 2}O{sub 3} ratio, in this case 150) exhibits the highest selectivity towards lower (C{sub 2}-C{sub 4}) olefins in general. Controlled selectivity toward targeted olefinic species can be accomplished via devising catalytic reaction systems in such a way that the structural property of the catalyst and reactive interaction between molecules in the pores are geared toward formation of targeted molecular species which also at the same time prevent the formation of less desirable products. The internal morphology of the catalyst also has a pronounced effect on the deactivation phenomenon, where it is observed that zeolites possessing high acidity and a unidimensional channel structure are prone towards catalyst deactivation by coking and pore blockage.

  15. DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT

    SciTech Connect (OSTI)

    Elana M. Chapman; Shirish Bhide; Jennifer Stefanik; Andre L. Boehman; David Klinikowski

    2003-04-01

    The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as, field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethyl ether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. The strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. The laboratory studies have included work with a Navistar V-8 turbodiesel engine, demonstration of engine operation on DME-diesel blends and instrumentation for evaluating fuel properties. The field studies have involved performance, efficiency and emissions measurements with the Champion Motorcoach ''Defender'' shuttle bus which will be converted to DME-fueling. The results include baseline emissions, performance and combustion measurements on the Navistar engine for operation on a federal low sulfur diesel fuel (300 ppm S). Most recently, they have completed engine combustion studies on DME-diesel blends up to 30 wt% DME addition.

  16. Conversion of dimethyl ether--boron trifluoride complex to potassium fluoborate

    DOE Patents [OSTI]

    Eberle, A.R.

    1957-06-18

    A method of preparing KBF/sub 4/ from the dimethyl ether complex of BF/sub 3/ is given. This may be accomplished by introducing the dimethyl ether complex of BF/sub 3/ into an aqueous solution of KF and alcohol, expelling the ether liberated from the complex by heating or stirring and recovering the KBF/sub 4/ so formed. The KBF/sub 4/ is then filtered from the alcohol-water solution, which may be recycled, to reduce the loss of KBF/sub 4/ which is not recovered by filtration.

  17. CONVERSION OF DIMETHYL ETHER-BORON TRIFLUORIDE COMPLEX TO POTASSIUM FLUOBORATE

    DOE Patents [OSTI]

    Eberle, A.R.

    1957-06-18

    A method of preparing KBF/sub 4/ from the dimethyl ether complex of BF/sub 3/ is given. This may be accomplished by introducing the dimethyl ether complex of BF/sub 3/ into an aqueous solution of KF and alcohol, expelling the ether liberated from the complex by heating or stirring and recovering the KBF/sub 4/ so formed. The KBF/sub 4/ is then filtered from the alcohol-water solution, which may be recycled, to reduce the loss of KBF/sub 4/ which is not recovered by filtration.

  18. Green polymer electrolytes based on chitosan and 1-butyl-3-methylimidazolium acetate

    SciTech Connect (OSTI)

    Shamsudin, Intan Juliana; Ahmad, Azizan; Hassan, Nur Hasyareeda

    2014-09-03

    Green polymer electrolytes based on chitosan as the polymer matrix and ionic liquid 1-butyl-3-methylimidazolium acetate [Bmim][OAc] as charge carriers were prepared by solution casting technique. Complexes with various amount of ionic liquid loading were investigated as possible ionic conducting polymers. The ionic conductivity was found to increase with increasing weight percent of ionic liquid. The highest ionic conductivity of the charged chitosan-[Bmim][OAc] was 2.44 × 10{sup −3} S cm{sup −1} at 90 wt.% of [Bmim][OAc] content at ambient temperature. Attenuated Total Reflection Fourier Transform infrared (ATR-FTIR) spectroscopy has proven the interaction between chitosan and [Bmim][OAc]. X-ray Diffraction (XRD) has shown that the amorphosity of the complexes increase as the amount of [Bmim][OAc] increase.

  19. Photochemical dimerization and functionalization of alkanes, ethers, primary alcohols and silanes

    DOE Patents [OSTI]

    Crabtree, Robert H. (Bethany, CT); Brown, Stephen H. (East Haven, CT)

    1988-01-01

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary alcohols and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  20. Metal ion complexation by ionizable crown ethers. Final report, January 1, 1988--June 30, 1994

    SciTech Connect (OSTI)

    Bartsch, R.A.

    1994-12-31

    During the report period a variety of new lipophilic ionizable crown ethers with pendent proton-ionizable groups has been synthesized. The ligands possess one or more ionizable group (carboxylic acid, phosphonic acid monoethyl ester, para-nitrophenol, phosphonic acid) attached to crown ether, monoazacrown ether or diazacrown ether frameworks. These novel chelating agents have either pendent or inward-facing proton-ionizable groups. Such lipophilic proton-ionizable crown ethers are designed for use in multiphase metal ion separations (solvent extraction, liquid membrane transport). In addition a series of proton-ionizable crown ethers without lipophilic groups was prepared to study how structural variations within the ligand influence metal ion complexation in homogeneous media as assessed by NMR spectroscopy or titration calorimetry. A third class of new metal ion-complexing agents is a series of lipophilic acyclic polyether dicarboxylic acids. Competitive solvent extractions of alkali metal and alkaline earth cations and of the mixed species have been conducted to reveal the influence of ring size, nature and attachment site of the lipophilic group, sidearm length, and proton-ionizable group identity and location upon the selectivity and efficiency of metal ion complexation. In addition to such studies of structural variation within the lipophilic proton-ionizable crown ether, the effect of changing the organic solvent and variation of the stripping conditions have been assessed. The influence of structural variations within lipophilic acyclic polyether dicarboxylic acids upon competitive solvent extraction of alkaline earth cations has been probed. Also a new chromogenic, di-ionizable crown ether with extremely high selectivity for Hg{sup 2+} has been discovered.

  1. Photochemical dimerization and functionalization of alkanes, ethers, primary alcohols and silanes

    DOE Patents [OSTI]

    Crabtree, R.H.; Brown, S.H.

    1988-02-16

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary alcohols and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  2. Wide range modeling study of dimethyl ether oxidation

    SciTech Connect (OSTI)

    Pitz, W.J.; Marinov, N.M.; Westbrook, C.K.; Dagaut, P.; Boettner, J-C; Cathonnet, M.

    1997-04-01

    A detailed chemical kinetic model has been used to study dimethyl ether (DME) oxidation over a wide range of conditions. Experimental results obtained in a jet-stirred reactor (JSR) at I and 10 atm, 0.2 < 0 < 2.5, and 800 < T < 1300 K were modeled, in addition to those generated in a shock tube at 13 and 40 bar, 0 = 1.0 and 650 :5 T :5 1300 K. The JSR results are particularly valuable as they include concentration profiles of reactants, intermediates and products pertinent to the oxidation of DME. These data test the Idnetic model severely, as it must be able to predict the correct distribution and concentrations of intermediate and final products formed in the oxidation process. Additionally, the shock tube results are very useful, as they were taken at low temperatures and at high pressures, and thus undergo negative temperature dependence (NTC) behavior. This behavior is characteristic of the oxidation of saturated hydrocarbon fuels, (e.g. the primary reference fuels, n-heptane and iso- octane) under similar conditions. The numerical model consists of 78 chemical species and 336 chemical reactions. The thermodynamic properties of unknown species pertaining to DME oxidation were calculated using THERM.

  3. DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT

    SciTech Connect (OSTI)

    Elana M. Chapman; Shirish Bhide; Jennifer Stefanik; Howard Glunt; Andre L. Boehman; Allen Homan; David Klinikowski

    2003-04-01

    The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as, field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethyl ether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. Their strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. The bulk of the efforts over the past year were focused on the conversion of the campus shuttle bus. This process, started in August 2001, took until April 2002 to complete. The process culminated in an event to celebrate the launching of the shuttle bus on DME-diesel operation on April 19, 2002. The design of the system on the shuttle bus was patterned after the system developed in the engine laboratory, but also was subjected to a rigorous failure modes effects analysis (FMEA, referred to by Air Products as a ''HAZOP'' analysis) with help from Dr. James Hansel of Air Products. The result of this FMEA was the addition of layers of redundancy and over-pressure protection to the system on the shuttle bus. The system became operational in February 2002. Preliminary emissions tests and basic operation of the shuttle bus took place at the Pennsylvania Transportation Institute's test track facility near the University Park airport. After modification and optimization of the system on the bus, operation on the

  4. Comparison of SPME headspace analysis to U.S. EPA method5030/8260B for MTBE monitoring

    SciTech Connect (OSTI)

    Stringfellow, William T.; Oh, Kuen-Chan

    2005-02-01

    A novel method for analysis of methyl tert-butyl ether andtert-butyl alcohol using solid phase microextraction is described andcompared to a standard method.

  5. Features of the spectral dependences of transmittance of organic semiconductors based on tert-butyl substituted lutetium phthalocyanine molecules

    SciTech Connect (OSTI)

    Belogorokhov, I. A.; Tikhonov, E. V.; Dronov, M. A.; Belogorokhova, L. I.; Ryabchikov, Yu. V.; Tomilova, L. G.; Khokhlov, D. R.

    2011-11-15

    Vibronic properties of organic semiconductors based on tert-butyl substituted phthalocyanine lutetium diphthalocyanine molecules are studied by IR and Raman spectroscopy. It is shown that substitution of several carbon atoms in initial phthalocyanine (Pc) ligands with {sup 13}C isotope atoms causes a spectral shift in the main absorption lines attributed to benzene, isoindol, and peripheral C-H groups. A comparison of spectral characteristics showed that the shift can vary from 3 to 1 cm{sup -1}.

  6. Method for photochemical reduction of uranyl nitrate by tri-N-butyl phosphate and application of this method to nuclear fuel reprocessing

    DOE Patents [OSTI]

    De Poorter, Gerald L.; Rofer-De Poorter, Cheryl K.

    1978-01-01

    Uranyl ion in solution in tri-n-butyl phosphate is readily photochemically reduced to U(IV). The product U(IV) may effectively be used in the Purex process for treating spent nuclear fuels to reduce Pu(IV) to Pu(III). The Pu(III) is readily separated from uranium in solution in the tri-n-butyl phosphate by an aqueous strip.

  7. N-butyl Cyanoacrylate Glue Embolization of Arterial Networks to Facilitate Hepatic Arterial Skeletonization before Radioembolization

    SciTech Connect (OSTI)

    Samuelson, Shaun D.; Louie, John D.; Sze, Daniel Y.

    2013-06-15

    Purpose. Avoidance of nontarget microsphere deposition via hepatoenteric anastomoses is essential to the safety of yttrium-90 radioembolization (RE). The hepatic hilar arterial network may remain partially patent after coil embolization of major arteries, resulting in persistent risk. We retrospectively reviewed cases where n-butyl cyanoacrylate (n-BCA) glue embolization was used to facilitate endovascular hepatic arterial skeletonization before RE. Methods. A total of 543 RE procedures performed between June 2004 and March 2012 were reviewed, and 10 were identified where n-BCA was used to embolize hepatoenteric anastomoses. Arterial anatomy, prior coil embolization, and technical details were recorded. Outcomes were reviewed to identify subsequent complications of n-BCA embolization or nontarget RE. Results. The rate of complete technical success was 80 % and partial success 20 %, with one nontarget embolization complication resulting in a minor change in treatment plan. No evidence of gastrointestinal or biliary ischemia or infarction was identified, and no microsphere-related gastroduodenal ulcerations or other evidence of nontarget RE were seen. Median volume of n-BCA used was <0.1 ml. Conclusion. n-BCA glue embolization is useful to eliminate hepatoenteric networks that may result in nontarget RE, especially in those that persist after coil embolization of major vessels such as the gastroduodenal and right gastric arteries.

  8. MOF-based catalysts for selective hydrogenolysis of carbon–oxygen ether bonds

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

    Stavila, Vitalie; Parthasarathi, Ramakrishnan; Davis, Ryan W.; El Gabaly, Farid; Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema; Allendorf, Mark D.

    2015-11-23

    We demonstrate that metal–organic frameworks (MOFs) can catalyze hydrogenolysis of aryl ether bonds under mild conditions. Mg-IRMOF-74(I) and Mg-IRMOF-74(II) are stable under reducing conditions and can cleave phenyl ethers containing β-O-4, α-O-4, and 4-O-5 linkages to the corresponding hydrocarbons and phenols. Reaction occurs at 10 bar H2 and 120 °C without added base. DFT-optimized structures and charge transfer analysis suggest that the MOF orients the substrate near Mg2+ ions on the pore walls. Ti and Ni doping further increase conversions to as high as 82% with 96% selectivity for hydrogenolysis versus ring hydrogenation. Thus repeated cycling induces no loss ofmore » activity, making this a promising route for mild aryl-ether bond scission.« less

  9. MOF-based catalysts for selective hydrogenolysis of carbon–oxygen ether bonds

    SciTech Connect (OSTI)

    Stavila, Vitalie; Parthasarathi, Ramakrishnan; Davis, Ryan W.; El Gabaly, Farid; Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema; Allendorf, Mark D.

    2015-11-23

    We demonstrate that metal–organic frameworks (MOFs) can catalyze hydrogenolysis of aryl ether bonds under mild conditions. Mg-IRMOF-74(I) and Mg-IRMOF-74(II) are stable under reducing conditions and can cleave phenyl ethers containing β-O-4, α-O-4, and 4-O-5 linkages to the corresponding hydrocarbons and phenols. Reaction occurs at 10 bar H2 and 120 °C without added base. DFT-optimized structures and charge transfer analysis suggest that the MOF orients the substrate near Mg2+ ions on the pore walls. Ti and Ni doping further increase conversions to as high as 82% with 96% selectivity for hydrogenolysis versus ring hydrogenation. Thus repeated cycling induces no loss of activity, making this a promising route for mild aryl-ether bond scission.

  10. DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT

    SciTech Connect (OSTI)

    Elana M. Chapman; Shirish Bhide; Jennifer Stefanik; Howard Glunt; Andre L. Boehman; Allen Homan; David Klinikowski

    2003-04-01

    The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as, field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethylether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. The strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. The bulk of the efforts over the past year were focused on the conversion of the campus shuttle bus. This process, started in August 2001, took until April 2002 to complete. The process culminated in an event to celebrate the launching of the shuttle bus on DME-diesel operation on April 19, 2002. The design of the system on the shuttle bus was patterned after the system developed in the engine laboratory, but also was subjected to a rigorous failure modes effects analysis with help from Dr. James Hansel of Air Products. The result of this FMEA was the addition of layers of redundancy and over-pressure protection to the system on the shuttle bus. The system became operation in February 2002. Preliminary emissions tests and basic operation of the shuttle bus took place at the Pennsylvania Transportation institute's test track facility near the University Park airport. After modification and optimization of the system on the bus, operation on the campus shuttle route began in early June 2002. However, the work

  11. Photochemical dimerization and functionalization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and silanes

    DOE Patents [OSTI]

    Crabtree, Robert H. (Bethany, CT); Brown, Stephen H. (East Haven, CT)

    1989-01-01

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and primary, secondary and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  12. Catalyst system and process for benzyl ether fragmentation and coal liquefaction

    DOE Patents [OSTI]

    Zoeller, Joseph Robert (Kingsport, TN)

    1998-04-28

    Dibenzyl ether can be readily cleaved to form primarily benzaldehyde and toluene as products, along with minor amounts of bibenzyl and benzyl benzoate, in the presence of a catalyst system comprising a Group 6 metal, preferably molybdenum, a salt, and an organic halide. Although useful synthetically for the cleavage of benzyl ethers, this cleavage also represents a key model reaction for the liquefaction of coal; thus this catalyst system and process should be useful in coal liquefaction with the advantage of operating at significantly lower temperatures and pressures.

  13. Photochemical dimerization and functionalization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and silanes

    DOE Patents [OSTI]

    Crabtree, R.H.; Brown, S.H.

    1989-10-17

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and primary, secondary and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  14. Mechanisms of Selective Cleavage of C-O Bonds in Di-aryl Ethers in Aqueous Phase

    SciTech Connect (OSTI)

    He, Jiayue; Zhao, Chen; Mei, Donghai; Lercher, Johannes A.

    2014-01-02

    A novel route for cleaving the C-O aryl ether bonds of p-substituted H-, CH3-, and OH- diphenyl ethers has been explored over Ni/SiO2 catalysts at very mild conditions. The C-O bond of diphenyl ether is cleaved by parallel hydrogenolysis and hydrolysis (hydrogenolysis combined with HO* addition) on Ni. The rates as a function of H2 pressure from 0 to 10 MPa indicate that the rate-determining step is the C-O bond cleavage on Ni. H* atoms compete with the organic reactant for adsorption leading to a maximum in the rate with increasing H2 pressure. In contrast to diphenyl ether, hydrogenolysis is the exclusive route for cleaving an ether C-O bond of di-p-tolyl ether to form p-cresol and toluene. 4,4'-dihydroxydiphenyl ether undergoes sequential surface hydrogenolysis, first to phenol and HOC6H4O* (adsorbed), which is then cleaved to phenol (C6H5O* with added H*) and H2O (O* with two added H*) in a second step. Density function theory supports the operation of this pathway. Notably, addition of H* to HOC6H4O* is less favorable than a further hydrogenolytic C-O bond cleavage. The TOFs of three aryl ethers with Ni/SiO2 in water followed the order 4,4'-dihydroxydiphenyl ether (69 h-1) > diphenyl ether (26 h-1) > di-p-tolyl ether (1.3 h-1), in line with the increasing apparent activation energies, ranging from 93 kJ∙mol-1 (4,4'-dihydroxydiphenyl ether) < diphenyl ether (98 kJ∙mol-1) to di-p-tolyl ether (105 kJ∙mol-1). D.M. thanks the support from the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R

  15. Distribution of 1-Butyl-3-methylimidazolium Bistrifluoromethylsulfonimide in Mesoporous Silica as a Function of Pore Filling

    SciTech Connect (OSTI)

    Han, Kee Sung; Wang, Xiqing; Hagaman, Edward {Ed} W; Dai, Sheng

    2013-01-01

    Rotational dynamics of the ionic liquid (IL) 1-butyl-3-methlyimidazolium bistrifluoromethylsulfonimide, [C4mim][Tf2N], 1, as a neat liquid and confined in mesoporous silica were investigated by 1H spin-spin (T2) and spin-lattice (T1) relaxation measurements and 13C NMR spectroscopy. Translational dynamics (self-diffusion) were monitored via the diffusion coefficient, D, obtained with 1H pulsed field gradient NMR measurements. These data were used to determine the distribution of 1 in the pores of KIT-6, a mesoporous silica with a bicontinuous gyroid pore structure, as a function of filling fraction. Relaxation studies performed as a function of filling factor and temperature, reveal a dynamic heterogeneity in both translational and rotational motions for 1 at filling factors, f, = 0.2-1.0 (f = 1 corresponds to fully filled pores). Spin-lattice and spin-spin relaxation times reveal the motion of 1 in silica mesopores conform to that expected for a two-dimensional relaxation model. The relaxation dynamics are interpreted using a two-state, fast exchange model for all motions; a slow rotation (and translation) of molecules in contact with the surface and a faster motion approximated by the values for bulk relaxation and diffusion. 1 retains liquid like behavior at all filling factors and temperatures that extend to ca. 50 degrees below the bulk melting point. Translational motion in these systems, interpreted with MD-simulated diffusivity limits, confirms the high propensity of 1 to form a monolayer film on the silica surface at low filling factors.. The attractive interaction of 1 with the surface is greater than that for self-association of 1. The trends in diffusion data at short and long diffusion time suggest that the population of surface-bound 1 is in intimate contact with 1 in the pores. This condition is most easily met at higher filling fractions with successive additions of 1 increasing the layer thickness built up on the surface layer.

  16. 1

    Office of Environmental Management (EM)

    Tetrachloroethylene, Trichloroethylene, Trichloroflouromethane, Acetone, Ethyl ether, Methanol, Methyl isobutyl ketone, n-Butyl alcohol, Xylene, Cresols, Cresylic acid,...

  17. MTBE Production Economics (Released in the STEO April 2001)

    Reports and Publications (EIA)

    2001-01-01

    The purpose of this analysis is to evaluate the causes of methyl tertiary butyl ether (MTBE) price increases in 2000.

  18. Dosimetric measurements of an n-butyl cyanoacrylate embolization material for arteriovenous malformations

    SciTech Connect (OSTI)

    Labby, Zacariah E.; Chaudhary, Neeraj; Gemmete, Joseph J.; Pandey, Aditya S.; Roberts, Donald A.

    2015-04-15

    Purpose: The therapeutic regimen for cranial arteriovenous malformations often involves both stereotactic radiosurgery and endovascular embolization. Embolization agents may contain tantalum or other contrast agents to assist the neurointerventionalists, leading to concerns regarding the dosimetric effects of these agents. This study investigated dosimetric properties of n-butyl cyanoacrylate (n-BCA) plus lipiodol with and without tantalum powder. Methods: The embolization agents were provided cured from the manufacturer with and without added tantalum. Attenuation measurements were made for the samples and compared to the attenuation of a solid water substitute using a 6 MV photon beam. Effective linear attenuation coefficients (ELAC) were derived from attenuation measurements made using a portal imager and derived sample thickness maps projected in an identical geometry. Probable dosimetric errors for calculations in which the embolized regions are overridden with the properties of water were calculated using the ELAC values. Interface effects were investigated using a parallel plate ion chamber placed at set distances below fixed samples. Finally, Hounsfield units (HU) were measured using a stereotactic radiosurgery CT protocol, and more appropriate HU values were derived from the ELAC results and the CT scanners HU calibration curve. Results: The ELAC was 0.0516 0.0063 cm{sup ?1} and 0.0580 0.0091 cm{sup ?1} for n-BCA without and with tantalum, respectively, compared to 0.0487 0.0009 cm{sup ?1} for the water substitute. Dose calculations with the embolized region set to be water equivalent in the treatment planning system would result in errors of ?0.29% and ?0.93% per cm thickness of n-BCA without and with tantalum, respectively. Interface effects compared to water were small in magnitude and limited in distance for both embolization materials. CT values at 120 kVp were 2082 and 2358 HU for n-BCA without and with tantalum, respectively; dosimetrically

  19. The effect of catalyst ratio on catalytic performance in liquid phase dimethyl ether process

    SciTech Connect (OSTI)

    Guo Junwang; Niu Yuqin; Zhang Bijiang

    1997-12-31

    In the liquid phase dimethyl ether (LPDME) process, two functionally different catalysts are slurried together in an inert liquid medium. Syngas reacts on the surface of the methanol catalyst and methanol is dehydrated on the surface of the dehydration catalyst dispersed in the liquid. The process is adaptable to carbon monoxide-rich syngas derived from second generation coal gasifiers. The effect of catalyst ratio on catalytic performances of the dual catalyst was studied in liquid phase dimethyl ether synthesis from syngas at 280 C, 4.0 MPa. CO conversion, H{sub 2} conversion and DME productivity increased with an increase of catalyst ratio initially, reached their maximum at a catalyst ratio of 4.0--5.0, and then decreased. Methanol productivity and methanol equivalent productivity had a similar trend to that of DME productivity. DME selectivity and hydrocarbon selectivity increased with an increase in catalyst ratio whereas methanol selectivity decreased with catalyst ratio.

  20. Process to convert biomass and refuse derived fuel to ethers and/or alcohols

    DOE Patents [OSTI]

    Diebold, James P.; Scahill, John W.; Chum, Helena L.; Evans, Robert J.; Rejai, Bahman; Bain, Richard L.; Overend, Ralph P.

    1996-01-01

    A process for conversion of a feedstock selected from the group consisting of biomass and refuse derived fuel (RDF) to provide reformulated gasoline components comprising a substantial amount of materials selected from the group consisting of ethers, alcohols, or mixtures thereof, comprising: drying said feedstock; subjecting said dried feedstock to fast pyrolysis using a vortex reactor or other means; catalytically cracking vapors resulting from said pyrolysis using a zeolite catalyst; condensing any aromatic byproduct fraction; catalytically alkylating any benzene present in said vapors after condensation; catalytically oligomerizing any remaining ethylene and propylene to higher olefins; isomerizing said olefins to reactive iso-olefins; and catalytically reacting said iso-olefins with an alcohol to form ethers or with water to form alcohols.

  1. Process to convert biomass and refuse derived fuel to ethers and/or alcohols

    DOE Patents [OSTI]

    Diebold, J.P.; Scahill, J.W.; Chum, H.L.; Evans, R.J.; Rejai, B.; Bain, R.L.; Overend, R.P.

    1996-04-02

    A process is described for conversion of a feedstock selected from the group consisting of biomass and refuse derived fuel (RDF) to provide reformulated gasoline components comprising a substantial amount of materials selected from the group consisting of ethers, alcohols, or mixtures thereof, comprising: drying said feedstock; subjecting said dried feedstock to fast pyrolysis using a vortex reactor or other means; catalytically cracking vapors resulting from said pyrolysis using a zeolite catalyst; condensing any aromatic byproduct fraction; catalytically alkylating any benzene present in said vapors after condensation; catalytically oligomerizing any remaining ethylene and propylene to higher olefins; isomerizing said olefins to reactive iso-olefins; and catalytically reacting said iso-olefins with an alcohol to form ethers or with water to form alcohols. 35 figs.

  2. Molecular modeling of the morphology and transport properties of two direct methanol fuel cell membranes: phenylated sulfonated poly(ether ether ketone ketone) versus Nafion

    SciTech Connect (OSTI)

    Devanathan, Ramaswami; Idupulapati, Nagesh B.; Dupuis, Michel

    2012-08-14

    We have used molecular dynamics simulations to examine membrane morphology and the transport of water, methanol and hydronium in phenylated sulfonated poly ether ether ketone ketone (Ph-SPEEKK) and Nafion membranes at 360 K for a range of hydration levels. At comparable hydration levels, the pore diameter is smaller, the sulfonate groups are more closely packed, the hydronium ions are more strongly bound to sulfonate groups, and the diffusion of water and hydronium is slower in Ph-SPEEKK relative to the corresponding properties in Nafion. The aromatic carbon backbone of Ph-SPEEKK is less hydrophobic than the fluorocarbon backbone of Nafion. Water network percolation occurs at a hydration level ({lambda}) of {approx}8 H{sub 2}O/SO{sub 3}{sup -}. At {lambda} = 20, water, methanol and hydronium diffusion coefficients were 1.4 x 10{sup -5}, 0.6 x 10{sup -5} and 0.2 x 10{sup -5} cm{sup 2}/s, respectively. The pore network in Ph-SPEEKK evolves dynamically and develops wide pores for {lambda} > 20, which leads to a jump in methanol crossover and ion transport. This study demonstrates the potential of aromatic membranes as low-cost challengers to Nafion for direct methanol fuel cell applications and the need to develop innovative strategies to combat methanol crossover at high hydration levels.

  3. 2[prime] and 3[prime] Carboranyl uridines and their diethyl ether adducts

    DOE Patents [OSTI]

    Soloway, A.H.; Barth, R.F.; Anisuzzaman, A.K.; Alam, F.; Tjarks, W.

    1992-12-15

    A process is described for preparing carboranyl uridine nucleoside compounds and their diethyl ether adducts, which exhibit a tenfold increase in boron content over prior art boron containing nucleoside compounds. The carboranyl uridine nucleoside compounds exhibit enhanced lipophilicity and hydrophilic properties adequate to enable solvation in aqueous media for subsequent incorporation of the compounds in methods for boron neutron capture therapy in mammalian tumor cells. No Drawings

  4. Barrierless proton transfer across weak CH⋯O hydrogen bonds in dimethyl ether dimer

    SciTech Connect (OSTI)

    Yoder, Bruce L. West, Adam H. C.; Signorell, Ruth; Bravaya, Ksenia B.; Bodi, Andras; Sztáray, Bálint

    2015-03-21

    We present a combined computational and threshold photoelectron photoion coincidence study of two isotopologues of dimethyl ether, (DME − h{sub 6}){sub n} and (DME − d{sub 6}){sub n}n = 1 and 2, in the 9–14 eV photon energy range. Multiple isomers of neutral dimethyl ether dimer were considered, all of which may be present, and exhibited varying C–H⋯O interactions. Results from electronic structure calculations predict that all of them undergo barrierless proton transfer upon photoionization to the ground electronic state of the cation. In fact, all neutral isomers were found to relax to the same radical cation structure. The lowest energy dissociative photoionization channel of the dimer leads to CH{sub 3}OHCH{sub 3}{sup +} by the loss of CH{sub 2}OCH{sub 3} with a 0 K appearance energy of 9.71 ± 0.03 eV and 9.73 ± 0.03 eV for (DME − h{sub 6}){sub 2} and deuterated (DME − d{sub 6}){sub 2}, respectively. The ground state threshold photoelectron spectrum band of the dimethyl ether dimer is broad and exhibits no vibrational structure. Dimerization results in a 350 meV decrease of the valence band appearance energy, a 140 meV decrease of the band maximum, thus an almost twofold increase in the ground state band width, compared with DME − d{sub 6} monomer.

  5. Preparation and characterization of polymer blend based on sulfonated poly (ether ether ketone) and polyetherimide (SPEEK/PEI) as proton exchange membranes for fuel cells

    SciTech Connect (OSTI)

    Hashim, Nordiana; Ali, Ab Malik Marwan; Lepit, Ajis; Rasmidi, Rosfayanti; Subban, Ri Hanum Yahaya; Yahya, Muhd Zu Azhan

    2015-08-28

    Blends of sulfonated poly (ether ether ketone) (SPEEK) and polyetherimide (PEI) were prepared in five different weight ratios using N-methyl-2-pyrrolidone (NMP) as solvent by the solution cast technique. The degree of sulfonation (DS) of the sulfonated PEEK was determined from deuterated dimethyl sulfoxide (DMSO-d{sub 6}) solution of the purified polymer using {sup 1}H NMR method. The properties studied in the present investigation includes conductivity, water uptake, thermal stability and structure analysis of pure SPEEK as well as SPEEK-PEI polymer blend membranes. The experimental results show that the conductivity of the membranes increased with increase in temperature from 30 to 80°C, except for that of pure SPEEK membrane which increased with temperature from 30 to 60°C while its conductivity decreased with increasing temperature from 60 to 80°C. The conductivity of 70wt.%SPEEK-30wt.%PEI blend membrane at 80% relative humidity (RH) is found to be 1.361 × 10{sup −3} Scm{sup −1} at 30°C and 3.383 × 10{sup −3} Scm{sup −1} at 80°C respectively. It was also found that water uptake and thermal stability of the membranes slightly improved upon blending with PEI. Structure analysis was carried out using Fourier Transform Infrared (FTIR) spectroscopy which revealed considerable interactions between sulfonic acid group of SPEEK and imide groups of PEI. Modification of SPEEK by blending with PEI shows good potential for improving the electrical and physical properties of proton exchange membranes.

  6. A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames

    SciTech Connect (OSTI)

    Andrew McIlroy; Toby D. Hain; Hope A. Michelsen; Terrill A. Cool

    2000-12-15

    The oxidation of dimethyl ether (DME) is studied in low-pressure flames using new molecular beam mass spectrometer and laser diagnostics. Two 30.0-Torr, premixed DME/oxygen/argon flames are investigated with stoichiometries of 0.98 and 1.20. The height above burner profiles of nine stable species and two radicals are measured. These results are compared to the detailed chemical reaction mechanism of Curran and coworkers. Generally good agreement is found between the model and data. The largest discrepancies are found for the methyl radical profiles where the model predicts qualitatively different trends in the methyl concentration with stoichiometry than observed in the experiment.

  7. Improvement of performance and emissions of a compression ignition methanol engine with dimethyl ether

    SciTech Connect (OSTI)

    Guo, J.; Chikahisa, Takemi; Murayama, Tadashi; Miyano, Masaharu

    1994-10-01

    Dimethyl ether (DME) has very good compression ignition characteristics and can be converted from methanol using a {gamma}-alumina catalyst. In this study a torch ignition chamber (TIC) head with TIC close to the center of the main combustion chamber was designed for the TIC method. The possibility of improvements in reducing the quantities of DME and emission were investigated by optimizing the TIC position, methanol injection timing, DME injection timing, and intake and exhaust throttling. It was found that the necessary amount of DME was greatly reduced when optimizing methanol and DME injection timings. 2 refs., 16 figs., 1 tab.

  8. High octane ethers from synthesis gas-derived alcohols. Quarterly technical progress report, April--June 1993

    SciTech Connect (OSTI)

    Klier, K.; Herman, R.G.; Menszak, J.; Johansson, M.A.; Feeley, O.C.; Kim, D.

    1993-07-01

    The results shown in Figures 10 and 11 demonstrate that the formation of butenes was very sensitive to the alcohol partial pressure. A small elevation of the alcohol pressure suppressed the formation of butenes rather drastically at both 90 and 117{degree}C. The synthesis rates of DME, MIBE, and MTBE ethers were not significantly affected at 90{degree}C, although there was a trend to increase the space time yield of DME as the alcohol pressure was increased. At the reaction temperature of 117{degree}C, all of the ethers showed increasing productivities as the pressure of the reactants was increased (Figure 11). An isotope labelling experiment was carried out to provide mechanistic insight into the manner in which methanol and isobutanol react together to form DME, MIBE, and MTBE ethers and to determine if MTBE were derived from MIBE.

  9. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) Process. Peroxide formation of dimethyl ether in methanol mixtures

    SciTech Connect (OSTI)

    Waller, F.J.

    1997-11-01

    Organic peroxides could form when dimethyl ether in methanol is stored for three to six months at a time. The objective of this work was to determine the level of peroxide formation from dimethyl ether in reagent grade methanol and raw methanol at room temperature under 3 atmospheres (45 psig) of air. Raw methanol is methanol made from syngas by the LPMEOH Process without distillation. Aliphatic ethers tend to react slowly with oxygen from the air to form unstable peroxides. However, there are no reports on peroxide formation from dimethyl ether. After 172 days of testing, dimethyl ether in either reagent methanol or raw methanol at room temperature and under 60--70 psig pressure of air does not form detectable peroxides. Lack of detectable peroxides suggests that dimethyl ether or dimethyl ether and methanol may be stored at ambient conditions. Since the compositions of {approximately} 1.3 mol% or {approximately} 4.5 mol% dimethyl ether in methanol do not form peroxides, these compositions can be considered for diesel fuel or an atmospheric turbine fuel, respectively.

  10. Calixarene crown ether solvent composition and use thereof for extraction of cesium from alkaline waste solutions

    DOE Patents [OSTI]

    Moyer, Bruce A. (Oak Ridge, TN); Sachleben, Richard A. (Knoxville, TN); Bonnesen, Peter V. (Knoxville, TN); Presley, Derek J. (Ooltewah, TN)

    2001-01-01

    A solvent composition and corresponding method for extracting cesium (Cs) from aqueous neutral and alkaline solutions containing Cs and perhaps other competing metal ions is described. The method entails contacting an aqueous Cs-containing solution with a solvent consisting of a specific class of lipophilic calix[4]arene-crown ether extractants dissolved in a hydrocarbon-based diluent containing a specific class of alkyl-aromatic ether alcohols as modifiers. The cesium values are subsequently recovered from the extractant, and the solvent subsequently recycled, by contacting the Cs-containing organic solution with an aqueous stripping solution. This combined extraction and stripping method is especially useful as a process for removal of the radionuclide cesium-137 from highly alkaline waste solutions which are also very concentrated in sodium and potassium. No pre-treatment of the waste solution is necessary, and the cesium can be recovered using a safe and inexpensive stripping process using water, dilute (millimolar) acid solutions, or dilute (millimolar) salt solutions. An important application for this invention would be treatment of alkaline nuclear tank wastes. Alternatively, the invention could be applied to decontamination of acidic reprocessing wastes containing cesium-137.

  11. Catalyst activity maintenance study for the liquid phase dimethyl ether process

    SciTech Connect (OSTI)

    Peng, X.D.; Toseland, B.A.; Underwood, R.P.

    1995-12-31

    The co-production of dimethyl ether (DME) and methanol from syngas is a process of considerable commercial attractiveness. DME coproduction can double the productivity of a LPMEOH process when using coal-derived syngas. This in itself may offer chemical producers and power companies increased flexibility and more profitable operation. DME is also known as a clean burning liquid fuel; Amoco and Haldor-Topsoe have recently announced the use of DME as an alternative diesel fuel. Moreover, DME can be an interesting intermediate in the production of chemicals such as olefins and vinyl acetate. The current APCl liquid phase dimethyl ether (LPDME) process utilizes a physical mixture of a commercial methanol synthesis catalyst and a dehydration catalyst (e.g., {gamma}-alumina). While this arrangement provides a synergy that results in much higher syngas conversion per pass compared to the methanol-only process, the stability of the catalyst system suffers. The present project is aimed at reducing catalyst deactivation both by understanding the cause(s) of catalyst deactivation and by developing modified catalyst systems. This paper describes the current understanding of the deactivation mechanism.

  12. Assessing the toxic effects of ethylene glycol ethers using Quantitative Structure Toxicity Relationship models

    SciTech Connect (OSTI)

    Ruiz, Patricia; Mumtaz, Moiz; Gombar, Vijay

    2011-07-15

    Experimental determination of toxicity profiles consumes a great deal of time, money, and other resources. Consequently, businesses, societies, and regulators strive for reliable alternatives such as Quantitative Structure Toxicity Relationship (QSTR) models to fill gaps in toxicity profiles of compounds of concern to human health. The use of glycol ethers and their health effects have recently attracted the attention of international organizations such as the World Health Organization (WHO). The board members of Concise International Chemical Assessment Documents (CICAD) recently identified inadequate testing as well as gaps in toxicity profiles of ethylene glycol mono-n-alkyl ethers (EGEs). The CICAD board requested the ATSDR Computational Toxicology and Methods Development Laboratory to conduct QSTR assessments of certain specific toxicity endpoints for these chemicals. In order to evaluate the potential health effects of EGEs, CICAD proposed a critical QSTR analysis of the mutagenicity, carcinogenicity, and developmental effects of EGEs and other selected chemicals. We report here results of the application of QSTRs to assess rodent carcinogenicity, mutagenicity, and developmental toxicity of four EGEs: 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 2-butoxyethanol and their metabolites. Neither mutagenicity nor carcinogenicity is indicated for the parent compounds, but these compounds are predicted to be developmental toxicants. The predicted toxicity effects were subjected to reverse QSTR (rQSTR) analysis to identify structural attributes that may be the main drivers of the developmental toxicity potential of these compounds.

  13. Na onal Security Site?

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

    Mul ple Choice (circle the correct answer) 1. How many diff erent animal species can be found at the Nevada Na onal Security Site? a. Less than 500 b. Exactly 1,325 c. More than 1,500 d. Exactly 2,303 2. Nuclear research, development and tes ng caused radioac ve contamina on of: a. Buildings b. Clothes and tools c. Soil and water d. All of the above 3. One method used to check soil for the presence of radioac ve contamina on is: a. Use a black light to see if the soil glows b. Send soil samples

  14. dimethyl ether

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

    Predictive Simulation of Engines Transportation Energy Consortiums Engine Combustion ... Schematic representation of the experimental set-up. Shown in the figure is the jet-stirre...

  15. Identification of volatile butyl rubber thermal-oxidative degradation products by cryofocusing gas chromatography/mass spectrometry (cryo-GC/MS).

    SciTech Connect (OSTI)

    Smith, Jonell Nicole; White, Michael Irvin; Bernstein, Robert; Hochrein, James Michael

    2013-02-01

    Chemical structure and physical properties of materials, such as polymers, can be altered as aging progresses, which may result in a material that is ineffective for its envisioned intent. Butyl rubber formulations, starting material, and additives were aged under thermal-oxidative conditions for up to 413 total days at up to 124 %C2%B0C. Samples included: two formulations developed at Kansas City Plant (KCP) (%236 and %2310), one commercially available formulation (%2321), Laxness bromobutyl 2030 starting material, and two additives (polyethylene AC-617 and Vanax MBM). The low-molecular weight volatile thermal-oxidative degradation products that collected in the headspace over the samples were preconcentrated, separated, and detected using cryofocusing gas chromatography mass spectrometry (cryo-GC/MS). The majority of identified degradation species were alkanes, alkenes, alcohols, ketones, and aldehydes. Observations for Butyl %2310 aged in an oxygen-18 enriched atmosphere (18O2) were used to verify when the source of oxygen in the applicable degradation products was from the gaseous environment rather than the polymeric mixture. For comparison purposes, Butyl %2310 was also aged under non-oxidative thermal conditions using an argon atmosphere.

  16. Molecular dynamics simulations of n-hexane at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide interface

    SciTech Connect (OSTI)

    Lisal, Martin; Izak, Pavel

    2013-07-07

    Molecular dynamics simulations of n-hexane adsorbed onto the interface of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([bmim][Tf{sub 2}N]) are performed at three n-hexane surface densities, ranged from 0.7 to 2.3 {mu}mol/m{sup 2} at 300 K. For [bmim][Tf{sub 2}N] room-temperature ionic liquid, we use a non-polarizable all-atom force field with the partial atomic charges based on ab initio calculations for the isolated ion pair. The net charges of the ions are {+-}0.89e, which mimics the anion to cation charge transfer and polarization effects. The OPLS-AA force field is employed for modeling of n-hexane. The surface tension is computed using the mechanical route and its value decreases with increase of the n-hexane surface density. The [bmim][Tf{sub 2}N]/n-hexane interface is analyzed using the intrinsic method, and the structural and dynamic properties of the interfacial, sub-interfacial, and central layers are computed. We determine the surface roughness, global and intrinsic density profiles, and orientation ordering of the molecules to describe the structure of the interface. We further compute the survival probability, normal and lateral self-diffusion coefficients, and re-orientation correlation functions to elucidate the effects of n-hexane on dynamics of the cations and anions in the layers.

  17. Computational Study of Molecular Structure and Self-Association of Tri-n-butyl Phosphates in n-Dodecane

    SciTech Connect (OSTI)

    Vo, Quynh N.; Hawkins, Cory; Dang, Liem X.; Nilsson, Mikael; Nguyen, Hung D.

    2015-01-29

    Tri-n-butyl phosphate is an important extractant used in solvent extraction process for the recovery of uranium and plutonium from spent nuclear fuel. To understand the fundamental molecular level behavior of extracting agents in solution, an atomistic parameterization study was carried out using the AMBER force field to model TBP molecule and n-dodecane molecule, a commonly used organic solvent, for molecular dynamics simulations. For validation of the optimized force field, various thermophysical properties of pure TBP and pure n-dodecane in the bulk liquid phase such as mass density, dipole moment, self-diffusion coefficient and heat of vaporization were calculated and compared favorably with experimental values. The molecular structure of TBPs in n-dodecane at various TBP concentrations was examined based on radial distribution functions and 2D potential mean force, which was used as criteria for identifying TBP aggregates. The dimerization constant of TBP in n-dodecane was also obtained and matches the experimental value. The U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences funded the work performed by LXD.

  18. Molecular Dynamics Simulations of Tri-n-butyl-phosphate/n-Dodecane Mixture: Thermophysical Properties and Molecular Structure

    SciTech Connect (OSTI)

    de Almeida, Valmor F; Cui, Shengting; Khomami, Bamin

    2014-01-01

    Molecular dynamics simulations of tri-n-butyl-phosphate (TBP)/n-dodecane mixture in the liquid phase have been carried out using two recently developed TBP force field models (J. Phys. Chem. B 2012, 116, 305) in combination with the all-atom optimized potentials for liquid simulations (OPLS-AA) force field model for n-dodecane. Specifically, the electric dipole moment of TBP, mass density of the mixture, and the excess volume of mixing were computed with TBP mole fraction ranging from 0 to 1. It is found that the aforementioned force field models accurately predict the mass density of the mixture in the entire mole fraction range. Commensurate with experimental measurements, the electric dipole moment of the TBP was found to slightly increase with the mole fraction of TBP in the mixture. Also, in accord with experimental data, the excess volume of mixing is positive in the entire mole fraction range, peaking at TBP mole fraction range 0.3 0.5. Finally, a close examination of the spatial pair correlation functions between TBP molecules, and between TBP and n-dodecane molecules, revealed formation of TBP dimers through self-association at close distance, a phenomenon with ample experimental evidence.

  19. Process for the production of ethylidene diacetate from dimethyl ether using a heterogeneous catalyst

    DOE Patents [OSTI]

    Ramprasad, Dorai; Waller, Francis Joseph

    1998-01-01

    This invention relates to a process for producing ethylidene diacetate by the reaction of dimethyl ether, acetic acid, hydrogen and carbon monoxide at elevated temperatures and pressures in the presence of an alkyl halide and a heterogeneous, bifunctional catalyst that is stable to hydrogenation and comprises an insoluble polymer having pendant quaternized heteroatoms, some of which heteroatoms are ionically bonded to anionic Group VIII metal complexes, the remainder of the heteroatoms being bonded to iodide. In contrast to prior art processes, no accelerator (promoter) is necessary to achieve the catalytic reaction and the products are easily separated from the catalyst by filtration. The catalyst can be recycled for 3 consecutive runs without loss in activity.

  20. Process for the production of ethylidene diacetate from dimethyl ether using a heterogeneous catalyst

    DOE Patents [OSTI]

    Ramprasad, D.; Waller, F.J.

    1998-04-28

    This invention relates to a process for producing ethylidene diacetate by the reaction of dimethyl ether, acetic acid, hydrogen and carbon monoxide at elevated temperatures and pressures in the presence of an alkyl halide and a heterogeneous, bifunctional catalyst that is stable to hydrogenation and comprises an insoluble polymer having pendant quaternized heteroatoms, some of which heteroatoms are ionically bonded to anionic Group VIII metal complexes, the remainder of the heteroatoms being bonded to iodide. In contrast to prior art processes, no accelerator (promoter) is necessary to achieve the catalytic reaction and the products are easily separated from the catalyst by filtration. The catalyst can be recycled for 3 consecutive runs without loss in activity.

  1. Use of aluminum phosphate as the dehydration catalyst in single step dimethyl ether process

    DOE Patents [OSTI]

    Peng, Xiang-Dong; Parris, Gene E.; Toseland, Bernard A.; Battavio, Paula J.

    1998-01-01

    The present invention pertains to a process for the coproduction of methanol and dimethyl ether (DME) directly from a synthesis gas in a single step (hereafter, the "single step DME process"). In this process, the synthesis gas comprising hydrogen and carbon oxides is contacted with a dual catalyst system comprising a physical mixture of a methanol synthesis catalyst and a methanol dehydration catalyst. The present invention is an improvement to this process for providing an active and stable catalyst system. The improvement comprises the use of an aluminum phosphate based catalyst as the methanol dehydration catalyst. Due to its moderate acidity, such a catalyst avoids the coke formation and catalyst interaction problems associated with the conventional dual catalyst systems taught for the single step DME process.

  2. Mixed ether electrolytes for secondary lithium batteries with improved low temperature performance

    SciTech Connect (OSTI)

    Abraham, K.M.; Pasquariello, D.M.; Martin, F.J.

    1986-04-01

    Tetrahydrofuran (THF): 2-methyl-tetrahydrofuran (2Me-THF)/LiAsF/sub 6/ mixed solutions, despite their lower conductivity, have allowed significantly better low temperature performance in Li/TiS/sub 2/ cells than have THF/LiAsF/sub 6/, /sup 13/C NMR data suggest that this may be related to the structurally disordered Li/sup +/-solvates that exist in the mixed ether solutions. High cycling efficiencies for the Li electrode in THF:2Me-THF/LiAsF/sub 6/ solutions have been achieved by the use of 2Me-F as an additive. A 5 Ah capacity Li/TiS/sub 2/ cell has been cycled more than 100 times at 100, depth-of-discharge, with the cell capacity remaining at over 3 Ah at the 100th cycle.

  3. Methanol with dimethyl ether ignition promotor as fuel for compression ignition engines

    SciTech Connect (OSTI)

    Brook, D.L.; Cipolat, D.; Rallis, C.J.

    1984-08-01

    Reduction of the world dependence upon crude oil necessitates the use of long term alternative fuels for internal combustion engines. Alcohols appear to offer a solution as in the short term they can be manufactured from natural gas and coal, while ultimately they may be produced from agricultural products. A fair measure of success has been achieved in using alcohols in spark ignition engines. However the more widely used compression ignition engines cannot utilize unmodified pure alcohols. The current techniques for using alcohol fuels in compression ignition engines all have a number of shortcomings. This paper describes a novel technique where an ignition promotor, dimethyl ether (DME), is used to increase the cetane rating of methanol. The systems particular advantage is that the DME can be catalyzed from the methanol base fuel, in situ. This fuel system matches the performance characteristics of diesel oil fuel.

  4. Using Heteropolyacids in the Anode Catalyst Layer of Dimethyl Ether PEM Fuel Cells

    SciTech Connect (OSTI)

    Ferrell III, J. R.; Turner, J. A.; Herring, A. M.

    2008-01-01

    In this study, polarization experiments were performed on a direct dimethyl ether fuel cell (DMEFC). The experimental setup allowed for independent control of water and DME flow rates. Thus the DME flow rate, backpressure, and water flow rate were optimized. Three heteropoly acids, phosphomolybdic acid (PMA), phosphotungstic acid (PTA), and silicotungstic acid (STA) were incorporated into the anode catalyst layer in combination with Pt/C. Both PTA-Pt and STA-Pt showed higher performance than the Pt control at 30 psig of backpressure. Anodic polarizations were also performed, and Tafel slopes were extracted from the data. The trends in the Tafel slope values are in agreement with the polarization data. The addition of phosphotungstic acid more than doubled the power density of the fuel cell, compared to the Pt control.

  5. Hydrogen production from the steam reforming of Dinethyl Ether and Methanol

    SciTech Connect (OSTI)

    Semelsberger, T. A.; Borup, R. L.

    2004-01-01

    This study investigates dimethyl ether (DME) steam reforming for the generation of hydrogen rich fuel cell feeds for fuel cell applications. Methanol has long been considered as a fuel for the generation of hydrogen rich fuel cell feeds due to its high energy density, low reforming temperature, and zero impurity content. However, it has not been accepted as the fuel of choice due its current limited availability, toxicity and corrosiveness. While methanol steam reforming for the generation of hydrogen rich fuel cell feeds has been extensively studied, the steam reforming of DME, CH{sub 3}OCH{sub 3} + 3H{sub 2}O = 2CO{sub 2} + 6H{sub 2}, has had limited research effort. DME is the simplest ether (CH{sub 3}OCH{sub 3}) and is a gas at ambient conditions. DME has physical properties similar to those of LPG fuels (i.e. propane and butane), resulting in similar storage and handling considerations. DME is currently used as an aerosol propellant and has been considercd as a diesel substitute due to the reduced NOx, SOx and particulate emissions. DME is also being considered as a substitute for LPG fuels, which is used extensively in Asia as a fuel for heating and cooking, and naptha, which is used for power generation. The potential advantages of both methanol and DME include low reforming temperature, decreased fuel proccssor startup energy, environmentally benign, visible flame, high heating value, and ease of storage and transportation. In addition, DME has the added advantages of low toxicity and being non-corrosive. Consequently, DME may be an ideal candidate for the generation of hydrogen rich fuel cell feeds for both automotive and portable power applications. The steam reforming of DME has been demonstrated to occur through a pair of reactions in series, where the first reaction is DME hydration followed by MeOH steam reforming to produce a hydrogen rich stream.

  6. Portal Vein Embolization before Right Hepatectomy: Improved Results Using n-Butyl-Cyanoacrylate Compared to Microparticles Plus Coils

    SciTech Connect (OSTI)

    Guiu, Boris Bize, Pierre; Gunthern, Daniel; Demartines, Nicolas; Halkic, Nermin; Denys, Alban

    2013-10-15

    Background: There is currently no consensus in the literature on which embolic agent induces the greatest degree of liver hypertrophy after portal vein embolization (PVE). Only experimental results in a pig model have demonstrated an advantage of n-butyl-cyanoacrylate (NBCA) over 3 other embolic materials (hydrophilic gel, small and large polyvinyl alcohol particles) for PVE. Therefore, the aim of this human study was to retrospectively compare the results of PVE using NBCA with those using spherical microparticles plus coils. Methods: A total of 34 patients underwent PVE using either NBCA (n = 20), or spherical microparticles plus coils (n = 14). PVE was decided according to preoperative volumetry on the basis of contrast-enhanced CT. Groups were compared for age, sex, volume of the left lobe before PVE and future remnant liver ratio (FRL) (volume of the left lobe/total liver volume - tumor volume). The primary end point was the increase in left lobe volume 1 month after PVE. Secondary end points were procedure complications and biological tolerance. Results: Both groups were similar in terms of age, sex ratio, left lobe volume, and FRL before PVE. NBCA induced a greater increase in volume after PVE than did microparticles plus coils (respectively, +74 {+-} 69 % and +23 {+-} 14 %, p < 0.05). The amount of contrast medium used for the procedure was significantly larger when microparticles and coils rather than NBCA were used (respectively, 264 {+-} 43 ml and 162 {+-} 34 ml, p < 0.01). The rate of PVE complications as well as the biological tolerance was similar in both groups. Conclusion: NBCA seems more effective than spherical microparticles plus coils to induce left-lobe hypertrophy.

  7. The use of dimethyl ether as a starting aid for methanol-fueled SI engines at low temperatures

    SciTech Connect (OSTI)

    Kozole, K.H.; Wallace, J.S

    1988-01-01

    Methanol-fueled SI engines have proven to be difficult to start at ambient temperatures below approximately 10/sup 0/C. The use of dimethyl ether (DME) is proposed to improve the cold starting performance of methanol-fueled SI engines. Tests to evaluate this idea were carried out with a modified single-cylinder CFR research engine having a compression ratio of 12:1. The engine was fueled with combinations of gaseous dimethyl ether and liquid methanol having DME mass fractions of 30%, 40%, 60% and 70%. For comparison, tests were also carried out with 100% methanol and with winter grade premium unleaded gasoline. Overall stoichiometric mixtures were used in all tests.

  8. Carbon-carbon bond cleavage of 1,2-hydroxy ethers b7 vanadium(V) dipicolinate complexes

    SciTech Connect (OSTI)

    Hanson, Susan K; Gordon, John C; Thorn, David L; Scott, Brian L; Baker, R Tom

    2009-01-01

    The development of alternatives to current petroleum-based fuels and chemicals is becoming increasingly important due to concerns over climate change, growing world energy demand, and energy security issues. Using non-food derived biomass to produce renewable feedstocks for chemicals and fuels is a particularly attractive possibility. However, the majority of biomass is in the form of lignocellulose, which is often not fully utilized due to difficulties associated with breaking down both lignin and cellulose. Recently, a number of methods have been reported to transform cellulose directly into more valuable materials such as glucose, sorbitol, 5-(chloromethyl)furfural, and ethylene glycol. Less progress has been made with selective transformations of lignin, which is typically treated in paper and forest industries by kraft pulping (sodium hydroxide/sodium sulfide) or incineration. Our group has begun investigating aerobic oxidative C-C bond cleavage catalyzed by dipicolinate vanadium complexes, with the idea that a selective C-C cleavage reaction of this type could be used to produce valuable chemicals or intermediates from cellulose or lignin. Lignin is a randomized polymer containing methoxylated phenoxy propanol units. A number of different linkages occur naturally; one of the most prevalent is the {beta}-O-4 linkage shown in Figure 1, containing a C-C bond with 1,2-hydroxy ether substituents. While the oxidative C-C bond cleavage of 1,2-diols has been reported for a number of metals, including vanadium, iron, manganese, ruthenium, and polyoxometalate complexes, C-C bond cleavage of 1,2-hydroxy ethers is much less common. We report herein vanadium-mediated cleavage of C-C bonds between alcohol and ether functionalities in several lignin model complexes. In order to explore the scope and potential of vanadium complexes to effect oxidative C-C bond cleavage in 1,2-hydroxy ethers, we examined the reactivity of the lignin model complexes pinacol monomethyl ether (A

  9. Structural basis of stereospecificity in the bacterial enzymatic cleavage of β-aryl ether bonds in lignin

    SciTech Connect (OSTI)

    Helmich, Kate E.; Pereira, Jose Henrique; Gall, Daniel L.; Heins, Richard A.; McAndrew, Ryan P.; Bingman, Craig; Deng, Kai; Holland, Keefe C.; Noguera, Daniel R.; Simmons, Blake A.; Sale, Kenneth L.; Ralph, John; Donohue, Timothy J.; Adams, Paul D.; Phillips, George N.

    2015-12-04

    Here, lignin is a combinatorial polymer comprising monoaromatic units that are linked via covalent bonds. Although lignin is a potential source of valuable aromatic chemicals, its recalcitrance to chemical or biological digestion presents major obstacles to both the production of second-generation biofuels and the generation of valuable coproducts from lignin's monoaromatic units. Degradation of lignin has been relatively well characterized in fungi, but it is less well understood in bacteria. A catabolic pathway for the enzymatic breakdown of aromatic oligomers linked via β-aryl ether bonds typically found in lignin has been reported in the bacterium Sphingobium sp. SYK-6. Here, we present x-ray crystal structures and biochemical characterization of the glutathione-dependent β-etherases, LigE and LigF, from this pathway. The crystal structures show that both enzymes belong to the canonical two-domain fold and glutathione binding site architecture of the glutathione S-transferase family. Mutagenesis of the conserved active site serine in both LigE and LigF shows that, whereas the enzymatic activity is reduced, this amino acid side chain is not absolutely essential for catalysis. The results include descriptions of cofactor binding sites, substrate binding sites, and catalytic mechanisms. Because β-aryl ether bonds account for 50–70% of all interunit linkages in lignin, understanding the mechanism of enzymatic β-aryl ether cleavage has significant potential for informing ongoing studies on the valorization of lignin.

  10. Synthesis of dimethyl ether and alternative fuels in the liquid phase from coal-derived synthesis gas. Final technical report

    SciTech Connect (OSTI)

    Not Available

    1993-02-01

    Through the mid-1980s, Air Products has brought the liquid phase approach to a number of other synthesis gas reactions where effective heat management is a key issue. In 1989, in response to DOE`s PRDA No. DE-RA22-88PC88805, Air Products proposed a research and development program entitled ``Synthesis of Dimethyl Ether and Alternative Fuels in the Liquid Phase from Coal Derived Syngas.`` The proposal aimed at extending the LPMEOH experience to convert coal-derived synthesis gas to other useful fuels and chemicals. The work proposed included development of a novel one-step synthesis of dimethyl ether (DME) from syngas, and exploration of other liquid phase synthesis of alternative fuel directly from syngas. The one-step DME process, conceived in 1986 at Air Products as a means of increasing syngas conversion to liquid products, envisioned the concept of converting product methanol in situ to DME in a single reactor. The slurry reactor based liquid phase technology is ideally suited for such an application, since the second reaction (methanol to DME) can be accomplished by adding a second catalyst with dehydration activity to the methanol producing reactor. An area of exploration for other alternative fuels directly from syngas was single-step slurry phase synthesis of hydrocarbons via methanol and DME as intermediates. Other possibilities included the direct synthesis of mixed alcohols and mixed ethers in a slurry reactor.

  11. Structural basis of stereospecificity in the bacterial enzymatic cleavage of β-aryl ether bonds in lignin

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

    Helmich, Kate E.; Pereira, Jose Henrique; Gall, Daniel L.; Heins, Richard A.; McAndrew, Ryan P.; Bingman, Craig; Deng, Kai; Holland, Keefe C.; Noguera, Daniel R.; Simmons, Blake A.; et al

    2015-12-04

    Here, lignin is a combinatorial polymer comprising monoaromatic units that are linked via covalent bonds. Although lignin is a potential source of valuable aromatic chemicals, its recalcitrance to chemical or biological digestion presents major obstacles to both the production of second-generation biofuels and the generation of valuable coproducts from lignin's monoaromatic units. Degradation of lignin has been relatively well characterized in fungi, but it is less well understood in bacteria. A catabolic pathway for the enzymatic breakdown of aromatic oligomers linked via β-aryl ether bonds typically found in lignin has been reported in the bacterium Sphingobium sp. SYK-6. Here, wemore » present x-ray crystal structures and biochemical characterization of the glutathione-dependent β-etherases, LigE and LigF, from this pathway. The crystal structures show that both enzymes belong to the canonical two-domain fold and glutathione binding site architecture of the glutathione S-transferase family. Mutagenesis of the conserved active site serine in both LigE and LigF shows that, whereas the enzymatic activity is reduced, this amino acid side chain is not absolutely essential for catalysis. The results include descriptions of cofactor binding sites, substrate binding sites, and catalytic mechanisms. Because β-aryl ether bonds account for 50–70% of all interunit linkages in lignin, understanding the mechanism of enzymatic β-aryl ether cleavage has significant potential for informing ongoing studies on the valorization of lignin.« less

  12. Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures

    SciTech Connect (OSTI)

    Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.

    2014-10-01

    In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to a constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.

  13. Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures

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

    Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.

    2014-10-01

    In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to amore » constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.« less

  14. New clean fuel from coal -- Direct dimethyl ether synthesis from hydrogen and carbon monoxide

    SciTech Connect (OSTI)

    Ogawa, T.; Ono, M.; Mizuguchi, M.; Tomura, K.; Shikada, T.; Ohono, Y.; Fujimoto, K.

    1997-12-31

    Dimethyl ether (DME), which has similar physical properties to propane and is easily liquefied at low pressure, has a significant possibility as a clean and non-toxic fuel from coal or coal bed methane. Equilibrium calculation also shows a big advantage of high carbon monoxide conversion of DME synthesis compared to methanol synthesis. By using a 50 kg/day DME bench scale test plant, direct synthesis of DME from hydrogen and carbon monoxide has been studied with newly developed catalysts which are very fine particles. This test plant features a high pressure three-phase slurry reactor and low temperature DME separator. DME is synthesized at temperatures around 533--553 K and at pressures around 3--5 MPa. According to the reaction stoichiometry, the same amount of hydrogen and carbon monoxide react to DME and carbon dioxide. Carbon conversion to DME is one third and the rest of carbon is converted to carbon dioxide. As a result of the experiments, make-up CO conversion is 35--50% on an once-through basis, which is extremely high compared to that of methanol synthesis from hydrogen and carbon monoxide. DME selectivity is around 60 c-mol %. Most of the by-product is CO{sub 2} with a small amount of methanol and water. No heavy by-products have been recognized. Effluent from the reactor is finally cooled to 233--253 K in a DME separator and liquid DME is recovered as a product.

  15. Experimental and Computational Study of Nonpremixed Ignition of Dimethyl Ether in Counterflow

    SciTech Connect (OSTI)

    Zheng, X L; Lu, T F; Law, C K; Westbrook, C K

    2003-12-19

    The ignition temperature of nitrogen-diluted dimethyl ether (DME) by heated air in counterflow was experimentally determined for DME concentration from 5.9 to 30%, system pressure from 1.5 to 3.0 atmospheres, and pressure-weighted strain rate from 110 to 170/s. These experimental data were compared with two mechanisms that were respectively available in 1998 and 2003, with the latter being a substantially updated version of the former. The comparison showed that while the 1998-mechanism uniformly over-predicted the ignition temperature, the 2003-mechanism yielded surprisingly close agreement for all experimental data. Sensitivity analysis for the near-ignition state based on both mechanisms identified the deficiencies of the 1998-mechanism, particularly the specifics of the low-temperature cool flame chemistry in effecting ignition at higher temperatures, as the fuel stream is being progressively heated from its cold boundary to the high-temperature ignition region around the hot-stream boundary. The 2003-mechanism, consisting of 79 species and 398 elementary reactions, was then systematically simplified by using the directed relation graph method to a skeletal mechanism of 49 species and 251 elementary reactions, which in turn was further simplified by using computational singular perturbation method and quasi-steady-state species assumption to a reduced mechanism consisting of 33 species and 28 lumped reactions. It was demonstrated that both the skeletal and reduced mechanisms mimicked the performance of the detailed mechanism with high accuracy.

  16. Slurry phase synthesis of dimethyl ether from syngas -- A reactor model simulation

    SciTech Connect (OSTI)

    Mizuguchi, Masatsugu; Ogawa, Takashi; Ono, Masami,; Tomura, Keiji; Shikada, Tsutomu; Ohno, Yotaro; Fujimoto, Kaoru

    1998-12-31

    Dimethyl ether (DME) would be an attractive alternative fuel for diesel, domestic use, and power generation, if it is economically synthesized directly from syngas (derived from coal gasification or natural gas reforming). DME, which is a colorless gas with a boiling point of {minus}25 C, is chemically stable and easily liquefied under pressure. Since the properties of DME are similar to LPG, it can be handled and stored with the same manner as LPG. The authors have performed the slurry phase DME synthesis by using the 50 kg/day bench-scale unit. DME was synthesized at high yield from syngas (H{sub 2}+CO) with the newly developed catalyst system. To establish the scale-up methodology, the reactor simulation technique is essential. The authors developed a mathematical model of the slurry phase bubble column reactor for DME synthesis, which is based on their experimental results. The performance of a commercial-scale DME reactor was simulated by this model, and the results were discussed.

  17. Hydrogen-bonding interactions and protic equilibria in room-temperature ionic liquids containing crown ethers.

    SciTech Connect (OSTI)

    Marin, T.; Shkrob, I.; Dietz, M.

    2011-04-14

    Nuclear magnetic resonance (NMR) spectroscopy has been used to study hydrogen-bonding interactions between water, associated and dissociated acids (i.e., nitric and methanesulfonic acids), and the constituent ions of several water-immiscible room-temperature ionic liquids (ILs). In chloroform solutions also containing a crown ether (CE), water molecules strongly associate with the IL ions, and there is rapid proton exchange between these bound water molecules and hydronium associated with the CE. In neat ILs, the acids form clusters differing in their degree of association and ionization, and their interactions with the CEs are weak. The CE can either promote proton exchange between different clusters in IL solution when their association is weak or inhibit such exchange when the association is strong. Even strongly hydrophobic ILs are shown to readily extract nitric acid from aqueous solution, typically via the formation of a 1:1:1 {l_brace}H{sub 3}O{sup +} {center_dot} CE{r_brace}NO{sub 3}{sup -} complex. In contrast, the extraction of methanesulfonic acid is less extensive and proceeds mainly by IL cation-hydronium ion exchange. The relationship of these protic equilibria to the practical application of hydrophobic ILs (e.g., in spent nuclear fuel reprocessing) is discussed.

  18. A fluorescence-based method for rapid and direct determination of polybrominated diphenyl ethers in water

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

    Shan, Huimei; Liu, Chongxuan; Wang, Zheming; Ma, Teng; Shang, Jianying; Pan, Duoqiang

    2015-01-01

    A new method was developed for rapid and direct measurement of polybrominated diphenyl ethers (PBDEs) in aqueous samples using fluorescence spectroscopy. The fluorescence spectra of tri- to deca-BDE (BDE 28, 47, 99, 153, 190, and 209) commonly found in environment were measured at variable emission and excitation wavelengths. The results revealed that the PBDEs have distinct fluorescence spectral profiles and peak positions that can be exploited to identify these species and determine their concentrations in aqueous solutions. The detection limits as determined in deionized water spiked with PBDEs are 1.71-5.82 ng/L for BDE 28, BDE 47, BDE 190, and BDEmore » 209 and 45.55–69.95 ng/L for BDE 99 and BDE 153. The effects of environmental variables including pH, humic substance, and groundwater chemical composition on PBDEs measurements were also investigated. These environmental variables affected fluorescence intensity, but their effect can be corrected through linear additivity and separation of spectral signal contribution. Compared with conventional GC-based analytical methods, the fluorescence spectroscopy method is more efficient as it only uses a small amount of samples (2-4 mL), avoids lengthy complicated concentration and extraction steps, and has a low detection limit of a few ng/L.« less

  19. Study on systems based on coal and natural gas for producing dimethyl ether

    SciTech Connect (OSTI)

    Zhou, L.; Hu, S.Y.; Chen, D.J.; Li, Y.R.; Zhu, B.; Jin, Y.

    2009-04-15

    China is a coal-dependent country and will remain so for a long time. Dimethyl ether (DME), a potential substitute for liquid fuel, is a kind of clean diesel motor fuel. The production of DME from coal is meaningful and is studied in this article. Considering the C/H ratios of coal and natural gas (NG), the cofeed (coal and NG) system (CFS), which does not contain the water gas shift process, is studied. It can reduce CO{sub 2} emission and increase the conversion rate of carbon, producing more DME. The CFS is simulated and compared with the coal-based and NG-based systems with different recycling ratios. The part of the exhaust gas that is not recycled is burned, producing electricity. On the basis of the simulation results, the thermal efficiency, economic index, and CO{sub 2} emission ratio are calculated separately. The CFS with a 100% recycling ratio has the best comprehensive evaluation index, while the energy, economy, and environment were considered at the same time.

  20. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    SciTech Connect (OSTI)

    Morini, Filippo; Deleuze, Michael Simon; Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko

    2015-10-07

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  1. A fluorescence-based method for rapid and direct determination of polybrominated diphenyl ethers in water

    SciTech Connect (OSTI)

    Shan, Huimei; Liu, Chongxuan; Wang, Zheming; Ma, Teng; Shang, Jianying; Pan, Duoqiang

    2015-01-01

    A new method was developed for rapid and direct measurement of polybrominated diphenyl ethers (PBDEs) in aqueous samples using fluorescence spectroscopy. The fluorescence spectra of tri- to deca-BDE (BDE 28, 47, 99, 153, 190, and 209) commonly found in environment were measured at variable emission and excitation wavelengths. The results revealed that the PBDEs have distinct fluorescence spectral profiles and peak positions that can be exploited to identify these species and determine their concentrations in aqueous solutions. The detection limits as determined in deionized water spiked with PBDEs are 1.71-5.82 ng/L for BDE 28, BDE 47, BDE 190, and BDE 209 and 45.5569.95 ng/L for BDE 99 and BDE 153. The effects of environmental variables including pH, humic substance, and groundwater chemical composition on PBDEs measurements were also investigated. These environmental variables affected fluorescence intensity, but their effect can be corrected through linear additivity and separation of spectral signal contribution. Compared with conventional GC-based analytical methods, the fluorescence spectroscopy method is more efficient as it only uses a small amount of samples (2-4 mL), avoids lengthy complicated concentration and extraction steps, and has a low detection limit of a few ng/L.

  2. Equilibria and dissociation kinetics of lanthanide complexes of diaza crown ether carboxylic acids

    SciTech Connect (OSTI)

    Chang, C.A.; Chang, P.H.L.; Manchanda, V.K.; Kasprzyk, S.P.

    1988-10-19

    The equilibria and dissociation kinetics of lanthanide and several transition-metal and Pb(II) complexes of some diaza crown ether carboxylic acids are studied. The ligands are K22MA (1,10-diaza-4,7,13,16-tetraoxacyclooctadecane-N-acetic acid), K22DP (1,10-diaza-4,7,13,16-tetraoxacyclooctadecane-N,N'-di-..beta..-propionic acid), and K22MP (1,10-diaza-4,7,13,16-tetraoxacyclooctadecane-N-..beta..-propionic acid). The protonation constants of these ligands are similar to those of the structural analogues and are in the range log K/sub 1/ = 8.80-9.01 and log K/sub 2/ = 7.26-8.16. The stability constants are all lower than that of their structural analogue K22DA (1,10-diaza-4,7,13,16-tetraoxacyclooctadecane-N,N'-diacetic acid) due to the reduction of the chelate effect or an unfavorable steric effect or both. The kinetic dissociation rates are all faster as compared to those of K22DA complexes. Acid-dependent (k/sub H/) and acid-independent (k/sub d/) rate constants are obtained by the measurement of rates at various pH values, and they correlate inversely with the values of stability constants. 15 references, 1 figure, 4 tables.

  3. ULEV potential of a DI/TCI diesel passenger car engine operated on dimethyl ether

    SciTech Connect (OSTI)

    Kapus, P.E.; Cartellieri, W.P.

    1995-12-31

    This paper describes a feasibility test program on a 2 liter, 4 cylinder DI/TCI passenger car engine operated on the new alternative fuel Dimethyl Ether (DME) with the aim of demonstrating its potential of meeting ULEV (ultra low emission vehicle) emissions (0.2 g/mi NOx in the FTP 75 test cycle) when installed in a full size passenger car. Special attention is drawn to the fuel injection equipment (FIE) as well as combustion system requirements towards the reduction of NOx and combustion noise while keeping energetic fuel consumption at the level of he baseline DI/TCI diesel engine. FIE and combustion system parameters were optimized on the steady state dynamometer by variation of a number of parameters, such as rate of injection, number of nozzle holes, compression ratio, piston bowl shape and exhaust gas recirculation. The paper presents engine test results achieved with DME under various operating conditions and compares these results to those achieved with the diesel version of the same engine.The FTP 75 cycle results were projected from steady state engine maps using a vehicle simulation program taking into account vehicle data and road resistance data of a given vehicle.The cycle results are also compared to actual chassis dynamometer results achieved with the diesel version of the same engine installed in the same vehicle.the passenger car DI/TCI engine adapted for and operated on DME shows very promising results with respect to meeting ULEV NOx emissions without any soot emissions and without the need for a DENOX catalyst. DME fuel consumption on energy basis can be kept very close to the DI diesel value. An oxidation catalyst will be necessary to meet the stringent CO and HC ULEV emission limits.

  4. Mechanistic Investigation of Acid-Catalyzed Cleavage of Aryl-Ether Linkages: Implications for Lignin Depolymerization

    SciTech Connect (OSTI)

    Sturgeon, M. R.; Kim, S.; Chmely, S. C.; Foust, T. D.; Beckham, G. T.

    2013-01-01

    Carbon-oxygen bonds are the primary inter-monomer linkages lignin polymers in plant cell walls, and as such, catalyst development to cleave these linkages is of paramount importance to deconstruct biomass to its constituent monomers for the production of renewable fuels and chemicals. For many decades, acid catalysis has been used to depolymerize lignin. Lignin is a primary component of plant cell walls, which is connected primarily by aryl-ether linkages, and the mechanism of its deconstruction by acid is not well understood, likely due to its heterogeneous and complex nature compared to cellulose. For effective biomass conversion strategies, utilization of lignin is of significant relevance and as such understanding the mechanisms of catalytic lignin deconstruction to constituent monomers and oligomers is of keen interest. Here, we present a comprehensive experimental and theoretical study of the acid catalysis of a range of dimeric species exhibiting the b-O-4 linkage, the most common inter-monomer linkage in lignin. We demonstrate that the presence of a phenolic species dramatically increases the rate of cleavage in acid at 150 degrees C. Quantum mechanical calculations on dimers with the para-hydroxyl group demonstrate that this acid-catalyzed pathway differs from the nonphenolic dimmers. Importantly, this result implies that depolymerization of native lignin in the plant cell wall will proceed via an unzipping mechanism wherein b-O-4 linkages will be cleaved from the ends of the branched, polymer chains inwards toward the center of the polymer. To test this hypothesis further, we synthesized a homopolymer of b-O-4 with a phenolic hydroxyl group, and demonstrate that it is cleaved in acid from the end containing the phenolic hydroxyl group. This result suggests that genetic modifications to lignin biosynthesis pathways in plants that will enable lower severity processes to fractionate lignin for upgrading and for easier access to the carbohydrate fraction of

  5. Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries

    SciTech Connect (OSTI)

    You, Ya; Yu, Xi -Qian; Yin, Ya -Xia; Nam, Kyung -Wan; Guo, Yu -Guo

    2014-10-27

    Owing to the worldwide abundance and low-cost of Na, room-temperature Na-ion batteries are emerging as attractive energy storage systems for large-scale grids. Increasing the Na content in cathode material is one of the effective ways to achieve high energy density. Prussian blue and its analogues (PBAs) are promising Na-rich cathode materials since they can theoretically store two Na ions per formula. However, increasing the Na content in PBAs cathode materials is a big challenge in the current. Here we show that sodium iron hexacyanoferrate with high Na content could be obtained by simply controlling the reducing agent and reaction atmosphere during synthesis. The Na content can reach as high as 1.63 per formula, which is the highest value for sodium iron hexacyanoferrate. This Na-rich sodium iron hexacyanoferrate demonstrates a high specific capacity of 150 mA h g-1 and remarkable cycling performance with 90% capacity retention after 200 cycles. Furthermore, the Na intercalation/de-intercalation mechanism is systematically studied by in situ Raman, X-ray diffraction and X-ray absorption spectroscopy analysis for the first time. As a result, the Na-rich sodium iron hexacyanoferrate could function as a plenteous Na reservoir and has great potential as a cathode material toward practical Na-ion batteries.

  6. Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries

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

    You, Ya; Yu, Xi -Qian; Yin, Ya -Xia; Nam, Kyung -Wan; Guo, Yu -Guo

    2014-10-27

    Owing to the worldwide abundance and low-cost of Na, room-temperature Na-ion batteries are emerging as attractive energy storage systems for large-scale grids. Increasing the Na content in cathode material is one of the effective ways to achieve high energy density. Prussian blue and its analogues (PBAs) are promising Na-rich cathode materials since they can theoretically store two Na ions per formula. However, increasing the Na content in PBAs cathode materials is a big challenge in the current. Here we show that sodium iron hexacyanoferrate with high Na content could be obtained by simply controlling the reducing agent and reaction atmospheremore » during synthesis. The Na content can reach as high as 1.63 per formula, which is the highest value for sodium iron hexacyanoferrate. This Na-rich sodium iron hexacyanoferrate demonstrates a high specific capacity of 150 mA h g-1 and remarkable cycling performance with 90% capacity retention after 200 cycles. Furthermore, the Na intercalation/de-intercalation mechanism is systematically studied by in situ Raman, X-ray diffraction and X-ray absorption spectroscopy analysis for the first time. As a result, the Na-rich sodium iron hexacyanoferrate could function as a plenteous Na reservoir and has great potential as a cathode material toward practical Na-ion batteries.« less

  7. Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries

    SciTech Connect (OSTI)

    Guo, Ya; Yu, Xiqian; You, Ya; Yin, Yaxia; Nam, Kyung -Wan

    2015-01-01

    Owing to the worldwide abundance and low-cost of Na, room-temperature Na-ion batteries are emerging as attractive energy storage systems for large-scale grids. Increasing the Na content in cathode material is one of the effective ways to achieve high energy density. Prussian blue and its analogues (PBAs) are promising Na-rich cathode materials since they can theoretically store two Na ions per formula. However, increasing the Na content in PBAs cathode materials is a big challenge in the current. Here we show that sodium iron hexacyanoferrate with high Na content could be obtained by simply controlling the reducing agent and reaction atmosphere during synthesis. The Na content can reach as high as 1.63 per formula, which is the highest value for sodium iron hexacyanoferrate. This Na-rich sodium iron hexacyanoferrate demonstrates a high specific capacity of 150 mA h g-1 and remarkable cycling performance with 90% capacity retention after 200 cycles. Furthermore, the Na intercalation/de-intercalation mechanism is systematically studied by in situ Raman, X-ray diffraction and X-ray absorption spectroscopy analysis for the first time. The Na-rich sodium iron hexacyanoferrate could function as a plenteous Na reservoir and has great potential as a cathode material toward practical Na-ion batteries.

  8. This Week In Petroleum Printer-Friendly Version

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    this transition from Methyl Tertiary Butyl Ether (MTBE) reformulated gasoline (RFG) to ethanol RFG, since ethanol is not blended into the gasoline mixture until just before the...

  9. 1

    Office of Environmental Management (EM)

    Xylene, Ethyl acetate, Ethyl benzene, Ethyl ether, n-Butyl alcohol, Cyclohexanone, Methanol, Cresols, Cresylic acid, Nitroobenzene, Carbon disulfide, Isobutanol, Pyridine, 2-...

  10. Impact of Renewable Fuels Standard/MTBE Provisions of S. 517 Requested by Sens. Daschle & Murkowski

    Reports and Publications (EIA)

    2002-01-01

    Additional analysis of the impact of the Renewable Fuels Standard (RFS) and methyl tertiary butyl ether (MTBE) ban provisions of S. 517.

  11. Total Blender Net Input of Petroleum Products

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

    Normal Butane Isobutane Other Liquids OxygenatesRenewables Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) All Other Oxygenates Renewable Fuels (incl. Fuel Ethanol...

  12. Refinery Stocks of Crude Oil and Petroleum Products

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

    Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) All Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Renewable Diesel Fuel Other ...

  13. Motor Gasoline Market Spring 2007 and Implications for Spring...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    began to decline, and with the transition from methyl tertiary butyl ether (MTBE) to ethanol completed and the end of the summer driving season drawing near, gasoline prices...

  14. untitled

    Gasoline and Diesel Fuel Update (EIA)

    of "other" hydrocarbons and oxygenates include hydrogen and oxygenates especially fuel ethanol and methyl tertiary butyl ether (MTBE). The adjustment is equal to the...

  15. Ligand-Thickness Effect Leads to Enhanced Preference for Large Anions in Alkali Metal Extraction by Crown Ethers

    SciTech Connect (OSTI)

    Haverlock, T.J.; Moyer, B.A.; Sachleben, R.A.

    1999-07-11

    Jean-Marie Lehn (Nobel laureate, 1987) suggested ligand thickness to be an important consideration in the design of host molecules for cation recognition. We have recently expanded the role of this simple ligand property by demonstrating a case in which ligand thickness contributes significantly to anion discrimination. It was found that in the extraction of sodium nitrate and perchlorate by a simple crown ether, bis(t-octylbenzo)-14-crown-4 (BOB 14C4), the normal preference for perchlorate is almost completely lost when the complex cation has the open-face sandwich vs. the sandwich structure.

  16. Separation of Dimethyl Ether from Syn-Gas Components by Poly(dimethylsiloxane) and Poly(4-methyl-1-pentene) Membranes

    SciTech Connect (OSTI)

    Christopher J. Orme; Frederick F. Stewart

    2011-05-01

    Permeability and selectivity in gas transport through poly(4-methyl-1-pentene) (TPX) and poly(dimethylsiloxane) (PDMS) using variable temperature mixed gas experiments is reported. Selected gases include H2, CO, CH4, CO2, and dimethyl ether (DME). The DME data is the first to be reported through these membranes. In this paper, the chosen polymers reflect both rubbery and crystalline materials. Rubbery polymers tend to be weakly size sieving, which, in this work, has resulted in larger permeabilities, lower separation factors, and lower activation energies of permeation (Ep). Conversely, the crystalline TPX membranes showed much greater sensitivity to penetrant size; although the gas condensability also played a role in transport.

  17. NaWoTec | Open Energy Information

    Open Energy Info (EERE)

    NaWoTec Jump to: navigation, search Name: NaWoTec Place: Rossdorf, Germany Zip: 64380 Product: Germany-based company developing 3-dimensional additive lithography using...

  18. A=14Na (1986AJ01)

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

    86AJ01) (Not illustrated) 14Ne, 14Na and 14Mg have not been observed. See (1983ANZQ

  19. A=14Na (1991AJ01)

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

    91AJ01) (Not illustrated) 14Ne, 14Na and 14Mg have not been observed. See (1986AN07

  20. Threshold electron excitation of Na

    SciTech Connect (OSTI)

    Marinkovic, B.; Wang, P.; Gallagher, A. )

    1992-09-01

    Electron collisional excitation of the 4{ital D}, 5{ital D}, 4{ital P}, and 6{ital S} states of Na has been measured with about 30-meV energy resolution. Very rapid, unresolved threshold onsets are seen for all but the 4{ital P} state, and a near-threshold resonance is suggested by the 5{ital D} data. However, only weak undulations in the cross sections are observed above threshold.

  1. Coupling of alcohols to ethers: The dominance of the surface S{sub N}2 reaction pathway

    SciTech Connect (OSTI)

    Klier, K.; Feeley, O.C.; Johansson, M.; Herman, R.G.

    1996-12-31

    Coupling of alcohols to ethers, important high value oxygenates, proceeds on acid catalysts via general pathways that uniquely control product composition, oxygen retention, chirality inversion, and kinetics. The dominant pathway is the S{sub N}2 reaction with competition of the alcohols for the surface acid sites. This is exemplified by formation of methyl(ethyl) isobutylether (M(E)IBE) from methanol(ethanol)/isobutanol mixtures, retention of oxygen ({sup 18}O) of the heavier alcohol, and optimum rate as a function of concentration of either reactant alcohol. The S{sub N}2 pathway in the confinement of zeolite pores exhibits additional features of a near-100% selectivity to dimethylether (DME) in H-mordenite and a near-100% selectivity to chiral inversion in 2-pentanol/ethanol coupling to 2-ethoxypentane in HZSM-5. A minor reaction pathway entails olefin or carbenium intermediates, as exemplified by the formation of methyl tertiarybutyl ether (MTBE) from methanol/isobutanol mixtures with oxygen retention of the lighter alcohol. Calculations of transition state and molecular modeling of the oxonium-involving pathways dramatically demonstrate how the reaction path selects the products.

  2. A=19Na (1972AJ02)

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

    2AJ02) (See the Isobar Diagram for 19Na) A study of the reaction 24Mg(p, 6He)19Na at Ep = 54.7 MeV reveals a group of 6He particles corresponding to a state in 19Na with M - A = 12.974 ± 0.070 MeV. It is presumed to be the ground state of 19Na, although the close proximity of the second T = 3/2 state in 19O from the first (96 keV), does not permit a definite assignment. If it is assumed that 19Na(0) has M - A = 12.974 ± 0.070 MeV, then 19Na is unbound with respect to decay into 18Ne + p by

  3. A=20Na (1972AJ02)

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

    2AJ02) (See Energy Level Diagrams for 20Na) GENERAL: See Table 20.35 [Table of Energy Levels] (in PDF or PS). Mass of 20Na: From the threshold energy of the 20Ne(p, n)20Na reaction, Ethresh. = 15.419 ± 0.006 MeV, the atomic mass excess of 20Na is 6.850 ± 0.006 MeV (1971GO18, 1971WI07). See also (1964GA1C, 1966GA25, 1966KE16, 1969HA38). 1. 20Na(β+)20Ne Qm = 13.892 20Na decays by positron emission to 20Ne*(1.63) and to a number of excited states which decay by α-emission to the ground state of

  4. Single-Step Syngas-to-Distillates (S2D) Synthesis via Methanol and Dimethyl Ether Intermediates: Final Report

    SciTech Connect (OSTI)

    Dagle, Robert A.; Lebarbier, Vanessa MC; Lizarazo Adarme, Jair A.; King, David L.; Zhu, Yunhua; Gray, Michel J.; Jones, Susanne B.; Biddy, Mary J.; Hallen, Richard T.; Wang, Yong; White, James F.; Holladay, Johnathan E.; Palo, Daniel R.

    2013-11-26

    The objective of the work was to enhance price-competitive, synthesis gas (syngas)-based production of transportation fuels that are directly compatible with the existing vehicle fleet (i.e., vehicles fueled by gasoline, diesel, jet fuel, etc.). To accomplish this, modifications to the traditional methanol-to-gasoline (MTG) process were investigated. In this study, we investigated direct conversion of syngas to distillates using methanol and dimethyl ether intermediates. For this application, a Pd/ZnO/Al2O3 (PdZnAl) catalyst previously developed for methanol steam reforming was evaluated. The PdZnAl catalyst was shown to be far superior to a conventional copper-based methanol catalyst when operated at relatively high temperatures (i.e., >300°C), which is necessary for MTG-type applications. Catalytic performance was evaluated through parametric studies. Process conditions such as temperature, pressure, gas-hour-space velocity, and syngas feed ratio (i.e., hydrogen:carbon monoxide) were investigated. PdZnAl catalyst formulation also was optimized to maximize conversion and selectivity to methanol and dimethyl ether while suppressing methane formation. Thus, a PdZn/Al2O3 catalyst optimized for methanol and dimethyl ether formation was developed through combined catalytic material and process parameter exploration. However, even after compositional optimization, a significant amount of undesirable carbon dioxide was produced (formed via the water-gas-shift reaction), and some degree of methane formation could not be completely avoided. Pd/ZnO/Al2O3 used in combination with ZSM-5 was investigated for direct syngas-to-distillates conversion. High conversion was achieved as thermodynamic constraints are alleviated when methanol and dimethyl are intermediates for hydrocarbon formation. When methanol and/or dimethyl ether are products formed separately, equilibrium restrictions occur. Thermodynamic relaxation also enables the use of lower operating pressures than what

  5. Exploratory study of coal-conversion chemistry. Quarterly report, June 20, 1980-September 19, 1980. [Diphenylmethane, diphenyl ether

    SciTech Connect (OSTI)

    Not Available

    1981-03-04

    This report describes work accomplished under two task: Task A, Mechanism of Cleavage of Key Bond types Present in Coals, and Task B, Catalysis of Conversion in CO-H/sub 2/O Systems. Under Task A, we have made additional measurements of catalytic carbon-carbon and carbon-oxygen bond cleavage in coal-related diphenylmethane and diphenyl ether structures. The results provide further support for, but do not definitely confirm, the tentative conclusion that the highly effective iron oxide catalysts involves oxidation to radical cation species. The homogeneous scission of carbon-oxygen bonds in diphenyl ether structure has also been studied. In the Task B studies of CO-H/sub 2/O systems, we typically obtain 50% benzene-soluble product material from 20 min. reaction of beneficiated Illinois No. 6 coal. This conversion level is obtained with aqueous solutions either at a starting pH above 12.6 or in neutral solutions with water-soluble catalysts present. We have studied a number of catalysts, including the potassium or sodium salts of molybdate, chromate, manganate, and tungstate; all are effective in the 3000 to 6000 ppM range. A striking result is that sodium nitrate at 6000 ppM is as effective as the metal salts. We found that the nitrate was converted to ammonium ion; also, formate was detected in the product aqueous phase. Finally, we find that catalytic quantities of sodium formate in CO/H/sub 2/O at pH 7 are effective in the conversion. However, in a control run in N/sub 2//H/sub 2/O, with a quantity of sodium formate equivalent to twice the molar quantity of hydrogen transferred to the coal in a successful run, the coal was converted to a product totally insoluble in benzene and with a lower hydrogen content than the starting coal.

  6. Computational and experimental study of the effects of adding dimethyl ether and ethanol to nonpremixed ethylene/air flames

    SciTech Connect (OSTI)

    Bennett, Beth Anne V.; McEnally, Charles S.; Pfefferle, Lisa D.; Smooke, Mitchell D.; Colket, Meredith B.

    2009-06-15

    Two sets of axisymmetric laminar coflow flames, each consisting of ethylene/air nonpremixed flames with various amounts (up to 10%) of either dimethyl ether (CH{sub 3}-O-CH{sub 3}) or ethanol (CH{sub 3}-CH{sub 2}-OH) added to the fuel stream, have been examined both computationally and experimentally. Computationally, the local rectangular refinement method, which incorporates Newton's method, is used to solve the fully coupled nonlinear conservation equations on solution-adaptive grids for each flame in two spatial dimensions. The numerical model includes C6 chemical kinetic mechanisms with up to 59 species, detailed transport, and an optically thin radiation submodel. Experimentally, thermocouples are used to measure gas temperatures, and mass spectrometry is used to determine concentrations of over 35 species along the flame centerline. Computational results are examined throughout each flame, and validation of the model occurs through comparison with centerline measurements. Very good agreement is observed for temperature, major species, and several minor species. As the level of additive is increased, temperatures, some major species (CO{sub 2}, C{sub 2}H{sub 2}), flame lengths, and residence times are essentially unchanged. However, peak centerline concentrations of benzene (C{sub 6}H{sub 6}) increase, and this increase is largest when dimethyl ether is the additive. Computational and experimental results support the hypothesis that the dominant pathway to C{sub 6}H{sub 6} formation begins with the oxygenates decomposing into methyl radical (CH{sub 3}), which combines with C2 species to form propargyl (C{sub 3}H{sub 3}), which reacts with itself to form C{sub 6}H{sub 6}. (author)

  7. 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.

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

    Open Energy Info (EERE)

    Improved Equations For Na-K, Na-Li And Sio2 Geothermometers By Outlier Detection And Rejection Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article:...

  9. Nevada Na onal Security Site U.S. Department of Energy, Na ...

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

    Wells Sampled On and Near the Nevada Na onal Security Site U.S. Department of Energy, Na onal Nuclear Security Administra on Nevada Field Office Stages of an Underground Nuclear ...

  10. A=18Na (1972AJ02)

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

    2AJ02) (Not illustrated) A calculation using an isobaric mass formula predicts that the mass excess of 18Na is 25.4 ± 0.4 MeV (1966KE16): 18Na is then unbound with respect to proton emission by 1.6 MeV. See also (1965JA1C

  11. A=19Na (1978AJ03)

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

    8AJ03) (See the Isobar Diagram for 19Na) This nucleus has been observed in the 24Mg(p, 6He)19Na reaction (1969CE01; Ep = 54.7 MeV) and in the 24Mg(3He, 8Li)19Na reaction (1975BE38; E(3He) = 76.3 MeV). The latter experiment leads to an atomic mass excess of 12.928 ± 0.012 MeV for 19Na in its ground state. In addition, an excited state is observed at Ex = 120 ± 10 keV (1975BE38). Assuming the atomic mass excess listed above, 19Na(0) is unstable with respect to breakup into 18Ne + p by 320 ± 13

  12. Involvement of reactive oxygen species in brominated diphenyl ether-47-induced inflammatory cytokine release from human extravillous trophoblasts in vitro

    SciTech Connect (OSTI)

    Park, Hae-Ryung Kamau, Patricia W.; Loch-Caruso, Rita

    2014-01-15

    Polybrominated diphenyl ethers (PBDEs) are widely used flame retardant compounds. Brominated diphenyl ether (BDE)-47 is one of the most prevalent PBDE congeners found in human breast milk, serum and placenta. Despite the presence of PBDEs in human placenta, effects of PBDEs on placental cell function are poorly understood. The present study investigated BDE-47-induced reactive oxygen species (ROS) formation and its role in BDE-47-stimulated proinflammatory cytokine release in a first trimester human extravillous trophoblast cell line, HTR-8/SVneo. Exposure of HTR-8/SVneo cells for 4 h to 20 ?M BDE-47 increased ROS generation 1.7 fold as measured by the dichlorofluorescein (DCF) assay. Likewise, superoxide anion production increased approximately 5 fold at 10 and 15 ?M and 9 fold at 20 ?M BDE-47 with a 1-h exposure, as measured by cytochrome c reduction. BDE-47 (10, 15 and 20 ?M) decreased the mitochondrial membrane potential by 4764.5% at 4, 8 and 24 h as assessed with the fluorescent probe Rh123. Treatment with 15 and 20 ?M BDE-47 stimulated cellular release and mRNA expression of IL-6 and IL-8 after 12 and 24-h exposures: the greatest increases were a 35-fold increased mRNA expression at 12 h and a 12-fold increased protein concentration at 24 h for IL-6. Antioxidant treatments (deferoxamine mesylate, ()?-tocopherol, or tempol) suppressed BDE-47-stimulated IL-6 release by 54.1%, 56.3% and 37.7%, respectively, implicating a role for ROS in the regulation of inflammatory pathways in HTR-8/SVneo cells. Solvent (DMSO) controls exhibited statistically significantly decreased responses compared with non-treated controls for IL-6 release and IL-8 mRNA expression, but these responses were not consistent across experiments and times. Nonetheless, it is possible that DMSO (used to dissolve BDE-47) may have attenuated the stimulatory actions of BDE-47 on cytokine responses. Because abnormal activation of proinflammatory responses can disrupt trophoblast functions

  13. Changes in mitogen-activated protein kinase in cerebellar granule neurons by polybrominated diphenyl ethers and polychlorinated biphenyls

    SciTech Connect (OSTI)

    Fan Chunyang; Besas, Jonathan

    2010-05-15

    Polybrominated diphenyl ethers (PBDEs) are used as additive flame retardants and have been detected in human blood, adipose tissue, and breast milk. Both in vitro and in vivo studies have shown that the effects of PBDEs are similar to the known human developmental neurotoxicants such as polychlorinated biphenyls (PCBs) on a molar basis. Previously, we reported that PBDE mixtures and congeners, perturbed calcium homeostasis which is critical for the development and function of the nervous system. In the present study, we tested whether environmentally relevant PBDE/PCB mixtures and congeners affected mitogen-activated protein kinase (MAPK) pathways, which are down-stream events of calcium signaling in cerebellar granule neuronal cultures. In this study, phosphorylated extracellular signal-regulated kinase (pERK)1/2, a widely studied MAPK cascade and known to be involved in learning and memory, levels were quantitated using western blot technique with phospho-specific antibodies. Glutamate (a positive control) increased pERK1/2 in a time- and concentration-dependent manner reaching maximum activation at 5-30 min of exposure and at doses >= 10 muM. Both Aroclor 1254 (a commercial penta PCB mixture) and DE-71 (a commercial penta PBDE mixture) elevated phospho-ERK1/2, producing maximum stimulation at 30 min and at concentrations >= 3 mug/ml; Aroclor 1254 was more efficacious than DE-71. DE-79 (an octabrominated diphenyl ether mixture) also elevated phospho-ERK1/2, but to a lesser extent than that of DE-71. PBDE congeners 47, 77, 99, and 153 also increased phospo-ERK1/2 in a concentration-dependent manner. The data indicated that PBDE congeners are more potent than the commercial mixtures. PCB 47 also increased phospho-ERK1/2 like its structural analog PBDE 47, but to a lesser extent, suggesting that these chemicals affect similar pathways. Cytotoxicity, measured as %LDH release, data showed that higher concentrations (> 30 muM) and longer exposures (> 30 min) are

  14. A=19Na (1983AJ01)

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

    3AJ01) (See the Isobar Diagram for 19Na) A study of this nucleus via the 24Mg(3He, 8Li)19Na reaction at E(3He) = 76.3 MeV leads to an atomic mass excess of 12.928 ± 0.012 MeV for 19Na; it is then unstable with respect to breakup into 18Ne + p by 320 ± 13 keV. An excited state at Ex = 120 ± 10 keV is also reported (1975BE38). See also (1978AJ03, 1978GU10, 1979BE1H

  15. A=19Na (1987AJ02)

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

    7AJ02) (See the Isobar Diagram for 19Na) A study of this nucleus via the 24Mg(3He, 8Li)19Na reaction at E(3He) = 76.3 MeV leads to an atomic mass excess of 12.929 ± 0.012 MeV for 19Na; it is then unstable with respect to breakup into 18Ne + p by 321 ± 13 keV. An excited state at Ex = 120 ± 10 keV is also reported (1975BE38, 1985WA02). See also (1985AN28, 1986AN07) and (1983ANZQ, 1983AU1B; theor.

  16. NNSA reorganizes Office of Emergency Operations (NA-40), Office...

    National Nuclear Security Administration (NNSA)

    ... Frank Klotz and Madelyn Creedon "Mission First, People Always" Related Topics NA-40 NA-80 OEO Office of Counterterrorism and Counterproliferation. OCC Office of Emergency ...

  17. NA 80 - Associate Administrator for Counterterrorism andCounterprolif...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 80 - Associate Administrator for Counterterrorism ... NA 80 - Associate...

  18. NA 70 - Associate Administrator for Defense Nuclear Security...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 70 - Associate Administrator for Defense ... NA 70 - Associate Administrator...

  19. NA 50 - Associate Administrator for Safety, Infrastructure and...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 50 - Associate Administrator for Safety, ... NA 50 - Associate Administrator...

  20. NA 1 - Immediate Office of the Administrator | National Nuclear...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 1 - Immediate Office of the Administrator NA 1 - Immediate Office of the...

  1. NA 30 - Deputy Administrator for Naval Reactors | National Nuclear...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 30 - Deputy Administrator for Naval Reactors NA 30 - Deputy Administrator for...

  2. NA EA - Associate Administrator for External Affairs | National...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA EA - Associate Administrator for External Affairs NA EA - Associate...

  3. NA 20 - Deputy Administrator for Defense Nuclear Nonproliferation...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 20 - Deputy Administrator for Defense ... NA 20 - Deputy Administrator for...

  4. NA 15 - Assistant Deputy Administrator for Secure Transportation...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 15 - Assistant Deputy Administrator for ... NA 15 - Assistant Deputy...

  5. NA 10 - Deputy Administrator for Defense Programs | National...

    National Nuclear Security Administration (NNSA)

    Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA 10 - Deputy Administrator for Defense Programs NA 10 - Deputy Administrator for...

  6. NA GC - Office of General Counsel | National Nuclear Security...

    National Nuclear Security Administration (NNSA)

    Blog Home About Us Our Operations Management and Budget Office of Civil Rights Workforce Statistics NA GC - Office of General Counsel NA GC - Office of General Counsel...

  7. HIGH-RESOLUTION EXPANDED VERY LARGE ARRAY IMAGE OF DIMETHYL ETHER (CH{sub 3}){sub 2}O IN ORION-KL

    SciTech Connect (OSTI)

    Favre, C.; Wootten, H. A.; Remijan, A. J.; Brouillet, N.; Despois, D.; Baudry, A.; Wilson, T. L. E-mail: brouillet@obs.u-bordeaux1.fr E-mail: baudry@obs.u-bordeaux1.fr E-mail: aremijan@nrao.edu

    2011-09-20

    We report the first subarcsecond (0.''65 x 0.''51) image of the dimethyl ether molecule, (CH{sub 3}){sub 2}O, toward the Orion Kleinmann-Low nebula. The observations were carried at 43.4 GHz with the Expanded Very Large Array (EVLA). The distribution of the lower energy transition 6{sub 1,5}-6{sub 0,6}, EE (E {sub u} = 21 K) mapped in this study is in excellent agreement with the published dimethyl ether emission maps imaged with a lower resolution. The main emission peaks are observed toward the Compact Ridge and Hot Core southwest components, at the northern parts of the Compact Ridge and in an intermediate position between the Compact Ridge and the Hot Core. A notable result is that the distribution of dimethyl ether is very similar to that of another important larger O-bearing species, the methyl formate (HCOOCH{sub 3}), imaged at a lower resolution. Our study shows that higher spectral resolution (WIDAR correlator) and increased spectral coverage provided by the EVLA offer new possibilities for imaging complex molecular species. The sensitivity improvement and the other EVLA improvements make this instrument well suited for high sensitivity, high angular resolution, and molecular line imaging.

  8. na-00 | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    na-00 Infrastructure and Operations NNSA's missions require a secure production and laboratory infrastructure meeting immediate and long term needs. The Associate Administrator for Infrastructure and Operations develops and executes NNSA's infrastructure investment, maintenance, and operations programs and policies

  9. FEiNA SCP | Open Energy Information

    Open Energy Info (EERE)

    Place: Sant Marta de Torruella, Spain Product: Manufacturer of tracking systems for PV plants, and looking for STEG partners. References: FEiNA SCP1 This article is a stub. You...

  10. A=19Na (1995TI07)

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

    95TI07) (See the Isobar Diagram for 19Na) This nucleus was observed in the 24Mg(p, 6He)19Na reaction at Ep = 54.7 MeV (1969CE01). A study via the 24Mg(3He, 8Li)19Na reaction at E(3He) = 76.3 MeV leads to an atomic mass excess of 12.929 ± 0.012 MeV for 19Na; it is then unstable with respect to breakup into 18Ne + p by 321 ± 13 keV. An excited state at Ex = 120 ± 10 keV is also reported (1975BE38, 1993AU05). See also (1987AJ02) and (1987PO01, 1987SA24, 1988CO15, 1990PO04, 1992AV03

  11. A=20Na (1978AJ03)

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

    8AJ03) (See Energy Level Diagrams for 20Na) GENERAL: See also (1972AJ02) and Table 20.39 [Table of Energy Levels] (in PDF or PS). (1973HA77, 1973SU1B, 1974HA17, 1976CH1T, 1977SH13). J = 2 (1975SC20); μ = 0.3694 ± 0.0002 nm (1975SC20). 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table 20.37 (in PDF or PS). The half-life of 20Na is 442 ± 5 msec (1971GO18, 1971WI07), 446 ± 8 msec (1972MO08), 448 ± 4 msec

  12. A=20Na (1983AJ01)

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

    3AJ01) (See Energy Level Diagrams for 20Na) GENERAL: See also (1978AJ03) and Table 20.36 [Table of Energy Levels] (in PDF or PS). (1977SI1D, 1978WO1E, 1979BE1H, 1980OK01, 1981AY01). J = 2 (1975SC20); μ = 0.3694 ± 0.0002 nm (1975SC20). 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table 20.33 (in PDF or PS) and reaction 63 in 20Ne. The half-life of 20Na is 446 ± 3 msec; Jπ = 2+: see (1978AJ03). 2. 16O(12C,

  13. A=20Na (1987AJ02)

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

    87AJ02) (See Energy Level Diagrams for 20Na) GENERAL: See (1983AJ01) and Table 20.27 [Table of Energy Levels] (in PDF or PS). (1981WA1Q, 1983ANZQ, 1983BR29, 1985AN28, 1985HA1N, 1985RO1N, 1986AN07, 1986GA1I). 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table 20.26 (in PDF or PS) and reaction 53 in 20Ne. The half-life of 20Na is 447.9 ± 2.3 msec [weighted mean of values quoted in (1978AJ03) and in (1983CL01)];

  14. A=20Na (1998TI06)

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

    98TI06) (See Energy Level Diagrams for 20Na) GENERAL: See Table Prev. Table 20.32 preview 20.32 [General Table] (in PDF or PS) and Table Prev. Table 20.33 preview 20.33 [Table of Energy Levels] (in PDF or PS) here. μ = 0.3694 ± 0.0002 nm (1975SC20, 1989RA17) 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table Prev. Table 20.31 preview 20.31 (in PDF or PS) and reaction 59 in 20Ne. The half-life of 20Na is 447.9

  15. On the competition between hydrogen abstraction versus C-O bond fission in initiating dimethyl ether combustion

    SciTech Connect (OSTI)

    Francisco, J.

    1999-07-01

    There has been a growing interest in the potential use of dimethyl ether (DME) as a diesel fuel in compression ignition engines. There are two initiation steps involved in the combustion of DME, one involving C-O bond fission and the other involving hydrogen abstraction by molecular oxygen. The kinetics and thermodynamics of C-O bond fission were explored computationally in a previous paper. The present paper addresses the competing process--hydrogen abstraction by molecular oxygen. Ab initio molecular orbital calculations are used to study the structures and energetics of the reactants, products, and the transition state for the CH{sub 3}OCH{sub 3} + O{sub 2} reaction. The calculations predict a barrier for hydrogen abstraction from CH{sub 3}OCH{sub 3} by O{sub 2} of 47.4 kcal/mol. This is lower than the barrier height for C-O bond fission previously calculated to be 81.1 kcal/mol. The results support values used in current models for the combustion of DME. Moreover, an examination of rates for C-O bond fission versus hydrogen abstraction by O{sub 2} suggests that the bimolecular process is the dominant pathway.

  16. Heat Capacity Uncertainty Calculation for the Eutectic Mixture of Biphenyl/Diphenyl Ether Used as Heat Transfer Fluid: Preprint

    SciTech Connect (OSTI)

    Gomez, J. C.; Glatzmaier, G. C.; Mehos, M.

    2012-09-01

    The main objective of this study was to calculate the uncertainty at 95% confidence for the experimental values of heat capacity of the eutectic mixture of biphenyl/diphenyl ether (Therminol VP-1) determined from 300 to 370 degrees C. Twenty-five samples were evaluated using differential scanning calorimetry (DSC) to obtain the sample heat flow as a function of temperature. The ASTM E-1269-05 standard was used to determine the heat capacity using DSC evaluations. High-pressure crucibles were employed to contain the sample in the liquid state without vaporizing. Sample handling has a significant impact on the random uncertainty. It was determined that the fluid is difficult to handle, and a high variability of the data was produced. The heat capacity of Therminol VP-1 between 300 and 370 degrees C was measured to be equal to 0.0025T+0.8672 with an uncertainty of +/- 0.074 J/g.K (3.09%) at 95% confidence with T (temperature) in Kelvin.

  17. Toxicity of polychlorinated diphenyl ethers in hydra attenuata and in rat whole-embryo culture. Master's thesis

    SciTech Connect (OSTI)

    Becker, M.C.

    1991-05-01

    Polychlorinated diphenyl ethers (PCDEs) are a class of biaryl compounds that have little commercial application, but appear to be widespread in the environment. They have been found in wood preservative waste dumpsites and in fly ash from municipal waste incinerators. They have been detected in bird eggs and tissues, fish, and other edible marine organisms in the United States, Canada, and Europe. There are limited reports in the extant literature on the toxicity of PCDEs. This study was designed to evaluate the toxicity of selected PCDEs in cultures of Hydra attenuata and post-implantation rat whole embryos. The toxicity of several closely related polychlorinated biphenyls (PCBs) was evaluated in both cultures and 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) was evaluated in whole embryo culture. Embryonic growth and development parameters (yolk sac diameter, crown-rump length, somite count, and DNA and protein content) and gross morphology were determined. Findings indicated that these chemicals were neither embryotoxic nor teratogenic. Thus, the PCDEs, which elicit other diverse toxic and biochemical responses in rodents, are relatively inactive in these bioassays for developmental toxicity.

  18. Electrochemical Investigation of Li–Al Anodes in Oligo(ethylene glycol) Dimethyl Ether/LiPF6

    SciTech Connect (OSTI)

    Zhou, Y.N.; Yang, X.; Wang, X.J.; Lee, H.S.; Nam, K.W.; Haas, O.

    2010-11-01

    1 M LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight 500 g mol{sup -1} was investigated as a new electrolyte (OEGDME500, 1 M LiPF{sub 6}) for metal deposition and battery applications. At 25 C a conductivity of 0.48 x 10{sup -3} S cm{sup -1} was obtained and at 85 C, 3.78 x 10{sup -3} S cm{sup -1}. The apparent activation barrier for ionic transport was evaluated to be 30.7 kJ mol{sup -1}. OEGDME500, 1 M LiPF{sub 6} allows operating temperature above 100 C with very attractive conductivity. The electrolyte shows excellent performance at negative and positive potentials. With this investigation, we report experimental results obtained with aluminum electrodes using this electrolyte. At low current densities lithium ion reduction and re-oxidation can be achieved on aluminum electrodes at potentials about 280 mV more positive than on lithium electrodes. In situ X-ray diffraction measurements collected during electrochemical lithium deposition on aluminum electrodes show that the shift to positive potentials is due to the negative Gibbs free energy change of the Li-Al alloy formation reaction.

  19. Electrochemical Investigation of Li-Al Anodes in Oligo (ethylene glycol) Dimethyl ether/LiPF6

    SciTech Connect (OSTI)

    Y Zhou; X Wang; H Lee; K Nam; X Yang; O Haas

    2011-12-31

    LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight 5 g mol{sup -1} was investigated as a new electrolyte (OEGDME5, 1 M LiPF{sub 6}) for metal deposition and battery applications. At 25 C a conductivity of .48 x 1{sup -3} S cm{sup -1} was obtained and at 85 C, 3.78 x 1{sup -3} S cm{sup -1}. The apparent activation barrier for ionic transport was evaluated to be 3.7 kJ mol{sup -1}. OEGDME5, 1 M LiPF{sub 6} allows operating temperature above 1 C with very attractive conductivity. The electrolyte shows excellent performance at negative and positive potentials. With this investigation, we report experimental results obtained with aluminum electrodes using this electrolyte. At low current densities lithium ion reduction and re-oxidation can be achieved on aluminum electrodes at potentials about 28 mV more positive than on lithium electrodes. In situ X-ray diffraction measurements collected during electrochemical lithium deposition on aluminum electrodes show that the shift to positive potentials is due to the negative Gibbs free energy change of the Li-Al alloy formation reaction.

  20. Synergistic effect of mixing dimethyl ether with methane, ethane, propane, and ethylene fuels on polycyclic aromatic hydrocarbon and soot formation

    SciTech Connect (OSTI)

    Yoon, S.S.; Anh, D.H.; Chung, S.H.

    2008-08-15

    Characteristics of polycyclic aromatic hydrocarbon (PAH) and soot formation in counterflow diffusion flames of methane, ethane, propane, and ethylene fuels mixed with dimethyl ether (DME) have been investigated. Planar laser-induced incandescence and fluorescence techniques were employed to measure relative soot volume fractions and PAH concentrations, respectively. Results showed that even though DME is known to be a clean fuel in terms of soot formation, DME mixture with ethylene fuel increases PAH and soot formation significantly as compared to the pure ethylene case, while the mixture of DME with methane, ethane, and propane decreases PAH and soot formation. Numerical calculations adopting a detailed kinetics showed that DME can be decomposed to produce a relatively large number of methyl radicals in the low-temperature region where PAH forms and grows; thus the mixture of DME with ethylene increases CH{sub 3} radicals significantly in the PAH formation region. Considering that the increase in the concentration of O radicals is minimal in the PAH formation region with DME mixture, the enhancement of PAH and soot formation in the mixture flames of DME and ethylene can be explained based on the role of methyl radicals in PAH and soot formation. Methyl radicals can increase the concentration of propargyls, which could enhance incipient benzene ring formation through the propargyl recombination reaction and subsequent PAH growth. Thus, the result substantiates the importance of methyl radicals in PAH and soot formation, especially in the PAH formation region of diffusion flames. (author)

  1. Calcitriol inhibits Ether-a go-go potassium channel expression and cell proliferation in human breast cancer cells

    SciTech Connect (OSTI)

    Garcia-Becerra, Rocio; Diaz, Lorenza; Camacho, Javier; Barrera, David; Ordaz-Rosado, David; Morales, Angelica; Ortiz, Cindy Sharon; Avila, Euclides; Bargallo, Enrique; Arrecillas, Myrna; Halhali, Ali; Larrea, Fernando

    2010-02-01

    Antiproliferative actions of calcitriol have been shown to occur in many cell types; however, little is known regarding the molecular basis of this process in breast carcinoma. Ether-a-go-go (Eag1) potassium channels promote oncogenesis and are implicated in breast cancer cell proliferation. Since calcitriol displays antineoplastic effects while Eag1 promotes tumorigenesis, and both factors antagonically regulate cell cycle progression, we investigated a possible regulatory effect of calcitriol upon Eag1 as a mean to uncover new molecular events involved in the antiproliferative activity of this hormone in human breast tumor-derived cells. RT real-time PCR and immunocytochemistry showed that calcitriol suppressed Eag1 expression by a vitamin D receptor (VDR)-dependent mechanism. This effect was accompanied by inhibition of cell proliferation, which was potentiated by astemizole, a nonspecific Eag1 inhibitor. Immunohistochemistry and Western blot demonstrated that Eag1 and VDR abundance was higher in invasive-ductal carcinoma than in fibroadenoma, and immunoreactivity of both proteins was located in ductal epithelial cells. Our results provide evidence of a novel mechanism involved in the antiproliferative effects of calcitriol and highlight VDR as a cancer therapeutic target for breast cancer treatment and prevention.

  2. NA 15 - Assistant Deputy Administrator for Secure Transportation | National

    National Nuclear Security Administration (NNSA)

    Nuclear Security Administration | (NNSA) NA 15 - Assistant Deputy Administrator for Secure Transportation

  3. Synthesis of dimethyl ether and alternative fuels in the liquid phase from coal-derived synthesis gas

    SciTech Connect (OSTI)

    Bhatt, B.L.

    1992-09-01

    As part of the DOE-sponsored contract for the Synthesis of Dimethyl Ether (DME) and Alternative Fuels in the Liquid Phase from Coal- Derived Syngas, the single-step, slurry phase DME synthesis process was developed. The development involved screening of catalyst systems, process variable studies, and catalyst life studies in two 300 ml stirred autoclaves. As a spin-off of the Liquid Phase Methanol (LPMEOH*) process, the new process significantly improves the syngas conversion efficiency of the LPMEOH process. This improvement can be achieved by replacing a portion of methanol catalyst with a dehydration catalyst in the reactor, resulting in the product methanol being converted to DME, thus avoiding the thermodynamic equilibrium constraint of the methanol reaction. Overall, this increases syngas conversion per-pass. The selectivity and productivity of DME and methanol are affected by the catalyst system employed as well as operating conditions. A preferred catalyst system, consisting of a physical mixture of a methanol catalyst and a gamma alumina, was identified. An improvement of about 50% in methanol equivalent productivity was achieved compared to the LPMEOH process. Results from the process variable study indicate that higher pressure and CO[sub 2] removal benefit the process significantly. Limited life studies performed on the preferred catalyst system suggest somewhat higher than expected deactivation rate for the methanol catalyst. Several DME/methanol mixtures were measured for their key properties as transportation fuels. With small amounts of DME added, significant improvements in both flash points and Reid Vapor Pressure (RVP) were observed over the corresponding values of methanol alone.

  4. Auto-ignition during instationary jet evolution of dimethyl ether (DME) in a high-pressure atmosphere

    SciTech Connect (OSTI)

    Fast, G.; Kuhn, D.; Class, A.G.; Maas, U.

    2009-01-15

    The auto-ignition process during transient injection of gaseous dimethyl ether (DME) in a constant high-pressure atmosphere is studied experimentally by laser-optical methods and compared with numerical calculations. With different non-intrusive measurement techniques jet properties and auto-ignition are investigated at high temporal and spatial resolution. The open jet penetrates a constant pressure oxidative atmosphere of up to 4 MPa. During the transient evolution, the fuel jet entrains air at up to 720 K. The subsequent auto-ignition of the ignitable part of the jet occurs simultaneously over a wide spatial extension. The ignition delay times are not affected by variation of the nozzle exit velocity. Thus, the low-temperature oxidation is slow compared with the shorter time scales of mixing, so that chemical kinetics is dominating the process. The typical two-stage ignition is resolved optically with high-speed shadowgraphy at a sampling rate of 10 kHz. The 2D fields of jet velocity and transient mixture fraction are measured phase-coupled with Particle Image Velocimetry (PIV) and Tracer Laser Induced Fluorescence (LIF) during the time-frame of ignition. The instationary Probability Density Functions (PDF) of mixture fraction are described very well by Beta functions within the complete area of the open jet. Additional 1D flamelet simulations of the auto-ignition process are computed with a detailed reaction mechanism for DME [S. Fischer, F. Dryer, H. Curran, Int. J. Chem. Kinet. 32 (12) (2000) 713-740; H. Curran, S. Fischer, F. Dryer, Int. J. Chem. Kinet. 32 (12) (2000) 741-759]. Calculated ignition delay times are in very good agreement with the measured mean ignition delay times of 3 ms. Supplemental flamelet simulations address the influence of DME and air temperature, pressure and strain. Underneath a critical strain rate the air temperature is identified to be the most sensitive factor on ignition delay time. (author)

  5. Using physiologically based pharmacokinetic modeling to address nonlinear kinetics and changes in rodent physiology and metabolism due to aging and adaptation in deriving reference values for propylene glycol methyl ether and propylene glycol methyl ether acetate.

    SciTech Connect (OSTI)

    Kirman, C R.; Sweeney, Lisa M.; Corley, Rick A.; Gargas, M L.

    2005-04-01

    Reference values, including an oral reference dose (RfD) and an inhalation reference concentration (RfC), were derived for propylene glycol methyl ether (PGME), and an oral RfD was derived for its acetate (PGMEA). These values were based upon transient sedation observed in F344 rats and B6C3F1 mice during a two-year inhalation study. The dose-response relationship for sedation was characterized using internal dose measures as predicted by a physiologically based pharmacokinetic (PBPK) model for PGME and its acetate. PBPK modeling was used to account for changes in rodent physiology and metabolism due to aging and adaptation, based on data collected during weeks 1, 2, 26, 52, and 78 of a chronic inhalation study. The peak concentration of PGME in richly perfused tissues was selected as the most appropriate internal dose measure based upon a consideration of the mode of action for sedation and similarities in tissue partitioning between brain and other richly perfused tissues. Internal doses (peak tissue concentrations of PGME) were designated as either no-observed-adverse-effect levels (NOAELs) or lowest-observed-adverse-effect levels (LOAELs) based upon the presence or absence of sedation at each time-point, species, and sex in the two year study. Distributions of the NOAEL and LOAEL values expressed in terms of internal dose were characterized using an arithmetic mean and standard deviation, with the mean internal NOAEL serving as the basis for the reference values, which was then divided by appropriate uncertainty factors. Where data were permitting, chemical-specific adjustment factors were derived to replace default uncertainty factor values of ten. Nonlinear kinetics are were predicted by the model in all species at PGME concentrations exceeding 100 ppm, which complicates interspecies and low-dose extrapolations. To address this complication, reference values were derived using two approaches which differ with respect to the order in which these extrapolations

  6. A=18Na (1978AJ03)

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

    8AJ03) (Not illustrated) 18Na has not been observed: its atomic mass excess has been estimated to be 25.32 MeV: it is then unbound with respect to proton emission by 1.55 MeV (1977WA08). See also (1976JA23, 1976WA1E

  7. A=18Na (1983AJ01)

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

    3AJ01) (Not illustrated) 18Na has not been observed: its atomic mass excess has been estimated to be 25.32 MeV: it is then unbound with respect to proton emission by 1.55 MeV (1977WA08). See also (1978GU10

  8. A=18Na (1987AJ02)

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

    7AJ02) (Not observed) 18Na has not been observed; its atomic mass excess has been estimated to be 25.32 MeV; it is then unbound with respect to proton emission by 1.6 MeV: see (1978AJ03). See also (1986AN07) and (1983ANZQ

  9. A=18Na (1995TI07)

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

    95TI07) (Not observed) 18Na has not been observed; its atomic mass excess has been estimated to be 25.32 MeV (1993AU05); it is then unbound with respect to proton emission by 1.6 MeV: see (1978AJ03). See also (1986AN07) and (1983ANZQ

  10. OR I GI NA L S I GNE D B Y OR I GI NA L S I GNE D B Y

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

    NA L S I GNE D B Y OR I GI NA L S I GNE D B Y

  11. Altered cardiovascular reactivity and osmoregulation during hyperosmotic stress in adult rats developmentally exposed to polybrominated diphenyl ethers (PBDEs)

    SciTech Connect (OSTI)

    Shah, Ashini; Coburn, Cary G.; Watson-Siriboe, Abena; Whitley, Rebecca; Shahidzadeh, Anoush; Gillard, Elizabeth R.; Nichol, Robert; Leon-Olea, Martha; Gaertner, Mark; Kodavanti, Prasada Rao S.

    2011-10-15

    Polybrominated diphenyl ethers (PBDEs) and the structurally similar chemicals polychlorinated biphenyls (PCBs) disrupt the function of multiple endocrine systems. PCBs and PBDEs disrupt the secretion of vasopressin (VP) from the hypothalamus during osmotic activation. Since the peripheral and central vasopressinergic axes are critical for osmotic and cardiovascular regulation, we examined whether perinatal PBDE exposure could impact these functions during physiological activation. Rats were perinatally dosed with a commercial PBDE mixture, DE-71. Dams were given 0 (corn oil control), 1.7 (low dose) or 30.6 mg/kg/day (high dose) in corn oil from gestational day (GD) 6 through postnatal day (PND) 21 by oral gavage. In the male offspring exposed to high dose PBDE plasma thyroxine and triiodothyronine levels were reduced at PND 21 and recovered to control levels by PND 60 when thyroid stimulating hormone levels were elevated. At 14-18 months of age, cardiovascular responses were measured in four groups of rats: Normal (Oil, normosmotic condition), Hyper (Oil, hyperosmotic stress), Hyper PBDE low (1.7 mg/kg/day DE-71 perinatally, hyperosmotic stress), and Hyper PBDE high (30.6 mg/kg/day DE-71 perinatally, hyperosmotic stress). Systolic blood pressure (BP), diastolic BP, and heart rate (HR) were determined using tail cuff sphygmomanometry and normalized to pretreatment values (baseline) measured under basal conditions. Hyperosmotic treatment yielded significant changes in systolic BP in PBDE exposed rats only. Hyper PBDE low and high dose rats showed 36.1 and 64.7% greater systolic BP responses at 3 h post hyperosmotic injection relative to pretreatment baseline, respectively. No treatment effects were measured for diastolic BP and HR. Hyper and Hyper PBDE rats showed increased mean plasma osmolality values by 45 min after injection relative to normosmotic controls. In contrast to Hyper rats, Hyper PBDE (high) rats showed a further increase in mean plasma osmolality at 3

  12. Synthesis of methanol and dimethyl ether from syngas over Pd/ZnO/Al2O3 catalysts

    SciTech Connect (OSTI)

    Lebarbier, Vanessa M.; Dagle, Robert A.; Kovarik, Libor; Lizarazo-Adarme, Jair A.; King, David L.; Palo, Daniel R.

    2012-01-01

    A Pd/ZnO/Al2O3 catalyst was developed for the synthesis of methanol and dimethyl ether (DME) from syngas. Studied were temperatures of operation ranging from 250C to 380C. High temperatures (e.g. 380C) are necessary when combining methanol and DME synthesis with a methanol to gasoline (MTG) process in a single reactor bed. A commercial Cu/ZnO/Al2O3 catalyst, utilized industrially for the synthesis of methanol at 220-280C, suffers from a rapid deactivation when the reaction is conducted at high temperature (>320C). On the contrary, a Pd/ZnO/Al2O3 catalyst was found to be highly stable for methanol and DME synthesis at 380C. The Pd/ZnO/Al2O3 catalyst was thus further investigated for methanol and DME synthesis at P=34-69 bars, T= 250-380C, GHSV= 5 000-18 000 h-1, and molar feeds H2/CO= 1, 2, and 3. Selectivity to DME increased with decreasing operating temperature, and increasing operating pressure. Increased GHSVs and H2/CO syngas feed ratios also enhanced DME selectivity. Undesirable CH4 formation was observed, however, can be minimized through choice of process conditions and by catalyst design. By studying the effect of the Pd loading and the Pd:Zn molar ratio the formulation of the Pd/ZnO/Al2O3 catalyst was optimized. A catalyst with 5% Pd and a Pd:Zn molar ratio of 0.25:1 has been identified as the preferred catalyst. Results indicate that PdZn particles are more active than Pd particles for the synthesis of methanol and less active for CH4 formation. A correlation between DME selectivity and the concentration of acid sites of the catalysts has been established. Hence, two types of sites are required for the direct conversion of syngas to DME: 1) PdZn particles are active for the synthesis of methanol from syngas, and 2) acid sites which are active for the conversion of methanol to DME. Additionally, CO2 formation was problematic as PdZn was found to be active for the water-gas-shift (WGS) reaction, under all the conditions evaluated.

  13. Low cost hydrogen/novel membrane technology for hydrogen separation from synthesis gas, Phase 1. [Poly(etherimide) and poly(ether-ester-amide) membranes

    SciTech Connect (OSTI)

    Not Available

    1986-01-01

    During the last quarter several high performance membranes for the separation of hydrogen from nitrogen, carbon monoxide, hydrogen sulfide and carbon dioxide. The heat-resistant resin poly(etherimide) has been selected as the polymer with the most outstanding properties for the separation of hydrogen from nitrogen and carbon monoxide. Flat sheet and hollow fiber poly(etherimide) membranes have been prepared and evaluated with pure gases and gas mixtures at elevated pressures and temperatures. Multilayer composite poly(ether-ester-amide) membranes were also developed. These membranes are useful for the separation of carbon dioxide and hydrogen sulfide hydrogen. They have very high selectivities and extremely high normalized carbon dioxide and hydrogen sulfide fluxes. Separation of carbon dioxide/hydrogen streams is a key problem in hydrogen production from coal. The development of the two membranes now gives us two approaches to separate these gas streams, depending on the stream's composition. If the stream contains small quantities of hydrogen, the hydrogen- permeable poly(etherimide) membrane would be used to produce a hydrogen-enriched permeate. If the stream contains small quantities of carbon dioxide or hydrogen sulfide, the poly(ether-ester-amide) membrane would be used to produce a carbon dioxide/hydrogen sulfide-free, hydrogen-enriched residue stream. 6 fig., 4 tabs.

  14. 2011 Annual Planning Summary for Defense Nuclear Nonproliferation (NA-20)

    Broader source: Energy.gov [DOE]

    The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2011 and 2012 within Defense Nuclear Nonproliferation (NA-20).

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

    SciTech Connect (OSTI)

    Cabao, M. Isabel, E-mail: isabelcabaco@ist.utl.pt [Departamento de Fsica, Instituto Superior Tcnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Fsica Atmica da UL, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Besnard, Marcel; Danten, Yann [GSM Institut des Sciences Molculaires, CNRS (UMR 5255), Universit de Bordeaux, 351, Cours de la Libration 33405 Talence Cedex (France); Chvez, Fabin Vaca [Centro de Fsica da Matria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Pinaud, Nol [CESAMO Institut des Sciences Molculaires, CNRS (UMR 5255), Universit de Bordeaux, 351, Cours de la Libration 33405 Talence Cedex (France); Sebastio, Pedro J. [Departamento de Fsica, Instituto Superior Tcnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Fsica da Matria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Coutinho, Joo A. P. [CICECO, Departamento de Qumica, Universidade de Aveiro 3810-193 Aveiro (Portugal)

    2014-06-28

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

  16. Synthesis of dimethyl ether and alternative fuels in the liquid phase from coal-derived syngas; Quarterly technical progress report No. 3, 1 July--30 September 1990

    SciTech Connect (OSTI)

    1991-01-25

    Contract objectives are: development of a one-step liquid phase dimethyl ether/methanol process; and investigation of the potential of liquid phase synthesis of alternative fuels from coal-derived synthesis gas. Definition of Preferred Catalyst System was completed after several commercial methanol catalysts and dehydration catalysts were tested. BASF S3-86 and Catapal gamma alumina is the preferred catalyst system of choice. Process Variable Scans on the Preferred Catalyst System was started with Shell gas. Data were obtained at various pressures (750 to 1400 psig), temperatures (250 to 280{degrees}C), and space velocities (5000 to 9000 sl/kg-hr). Increase in system pressure seems to have a very significant benefit to both DME and methanol formation. Both Texaco and Shell gases were evaluated. A ``stoichiometric`` feed composition (50% CO, 50% H{sub 2}) that yields maximum DME productivity at equilibrium was evaluated with a fresh batch of the optimum catalyst system. Productivities with the ``stoichiometric`` gas were much higher compared to Shell or Texaco gas. Following that test, Dow gas was evaluated (41% CO, 41% H{sub 2}, 16% CO{sub 2} and 2% N{sub 2}) using the same catalyst to study the effect of CO{sub 2}. Three DME/MEOH (1--4% DME) mixtures were evaluated by SWRI for their fuel properties. Results indicate that, with small amounts of DME added, significant improvements in both flash point and RVP are possible over the properties of LaPorte MEOH. the slurry-phase dehydration of alcohols to ethers was investigated by feeding 10 mol% mixed alcohols in N{sub 2} over an alumina catalyst suspended in mineral oil. Two alcohol mixture compositions were chosen for this study. One mixture contained methanol, ethanol, and 1-propanol in proportions representative of those in IFP Substifuel, while the other mixture contained methanol, ethanol, and isobutanol in proportions representative of those in Lurgi Octamix. 21 figs., 13 tabs.

  17. Document: NA (FOIA) Actionee: Dorothy Riehie

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

    vT op Document: NA (FOIA) Actionee: Dorothy Riehie ~ * Document Date: 09/07/2011 Due Date: NO ACTION Ii~rilAuthor: CARPENTER T Addressee: RIEHLE DC Title: FOIA Request DIR DIV NAME DIR DIV NAME MGR AMMS DEP AMMS ISI AMA AMMS PIC AMA FMD AMMS SES AMA HRM AMMS SSD AMA PRO AMRC AMCP AMSE AMSE EMD AMSE GOD AMSE SED 0CC OCE Riehle, Dorothy (Actionee) ORP PNSO RLCI Comments: Records Schedule information: ADM-1.28.1 Scan?: Yes Sensitive?: Yes Sensitive Attachments?: Yes - IDMS Folder: RL General Corr

  18. M-transfer activity of MCM-41 materials in 1-hexene isomerization reactions

    SciTech Connect (OSTI)

    Dominguez, J.M.; Hernandez, F.; Terres, E.; Toledo, A.; Navarrete, J.

    1996-10-01

    The gasoline reformulation scheme includes the use of oxygenated additives MTBE (methyl-ter-butyl-ether), TAME (ter-amyl-methyl-ether), ETBE (ethyl-ter-butyl-ether) and DIPE (di-isopropyl-ether), which have the iso-olefins (i-C{sub 3}{sup =}, i-C{sub 4}{sup =}, i-C{sub 5}{sup =}) as precursors. In this respect, olefin production from FCC units must be enhanced to cover the demand. A series of new catalytic materials with lower hydrogen transfer activity could enhance the olefin yield from the FCC reactors.

  19. NNSA reorganizes Office of Emergency Operations (NA-40), Office of

    National Nuclear Security Administration (NNSA)

    Counterterrorism and Counterproliferation (NA-80) | National Nuclear Security Administration | (NNSA) reorganizes Office of Emergency Operations (NA-40), Office of Counterterrorism and Counterproliferation (NA-80) Wednesday, December 9, 2015 - 11:00am Colleagues: The Department of Energy has adopted an enterprise-wide approach to strengthening its preparedness for and its capability to respond to a broad spectrum of potential emergencies, including those resulting from natural phenomena

  20. Office of Nuclear Material Integration (ONMI), NA-73

    National Nuclear Security Administration (NNSA)

    Office of Nuclear Material Integration (ONMI), NA-73 Over 420 Government & Commercial ... Required U.S. Reporting to the International Atomic Energy Agency (IAEA) under ...

  1. APPENDXD.CHP:Corel VENTURA

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Report The Form EIA-819, "Monthly Oxygenate Report" provides production data for fuel ethanol and methyl tertiary butyl ether (MTBE). End-of-month stock data held at ethanol...

  2. Preparations for Meeting New York and Connecticut MTBE Bans

    Reports and Publications (EIA)

    2003-01-01

    In response to a Congressional request, the Energy Information Administration examined the progress being made to meet the bans on the use of methyl tertiary butyl ether (MTBE) being implemented in New York and Connecticut at the end of 2003.

  3. March 2015 Most Viewed Documents for Geosciences | OSTI, US Dept...

    Office of Scientific and Technical Information (OSTI)

    Poux, B. (2010) 34 Produced water volumes and management practices in the United States. ... Ether and tert-Butyl Alcohol in Water by Solid-Phase MicroextractionHead Space ...

  4. Table Definitions, Sources, and Explanatory Notes

    Gasoline and Diesel Fuel Update (EIA)

    Ethanol Plant Production Definitions Key Terms Definition Barrel A unit of volume equal to 42 U.S. gallons. Fuel Ethanol An anhydrous alcohol (ethanol with less than 1% water) intended for gasoline blending as described in the Oxygenates definition. Oxygenates Substances which, when added to gasoline, increase the amount of oxygen in that gasoline blend. Ethanol, Methyl Tertiary Butyl Ether (MTBE), Ethyl Tertiary Butyl Ether (ETBE), and methanol are common oxygenates. Fuel Ethanol: Blends of up

  5. Electrochemical Investigation of Al–Li/LixFePO4 Cells in Oligo(ethylene glycol) Dimethyl Ether/LiPF6

    SciTech Connect (OSTI)

    Wang, X.J.; Zhou, Y.N.; Lee, H.S.; Nam, K.W.; Yang, X.Q.; Haas, O.

    2011-02-01

    1 M LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight, 500 g mol{sup -1} (OEGDME500, 1 M LiPF{sub 6}), was investigated as an electrolyte in experimental Al-Li/LiFePO{sub 4} cells. More than 60 cycles were achieved using this electrolyte in a Li-ion cell with an Al-Li alloy as an anode sandwiched between two Li x FePO{sub 4} electrodes (cathodes). Charging efficiencies of 96-100% and energy efficiencies of 86-89% were maintained during 60 cycles at low current densities. A theoretical investigation revealed that the specific energy can be increased up to 15% if conventional LiC{sub 6} anodes are replaced by Al-Li alloy electrodes. The specific energy and the energy density were calculated as a function of the active mass per electrode surface (charge density). The results reveal that for a charge density of 4 mAh cm{sup -2} about 160 mWh g{sup -1} can be reached with Al-Li/LiFePO{sub 4} batteries. Power limiting diffusion processes are discussed, and the power capability of Al-Li/LiFePO{sub 4} cells was experimentally evaluated using conventional electrolytes.

  6. EA-372 GDF Suez Energy Marketing NA, Inc. | Department of Energy

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

    2 GDF Suez Energy Marketing NA, Inc. EA-372 GDF Suez Energy Marketing NA, Inc. Order authorizing GDF Suez Energy Marketing NA, Inc. to export electric energy to Canada EA-372 GDF ...

  7. Electron scattering in graphene with adsorbed NaCl nanoparticles

    SciTech Connect (OSTI)

    Drabińska, Aneta Kaźmierczak, Piotr; Bożek, Rafał; Karpierz, Ewelina; Wysmołek, Andrzej; Kamińska, Maria; Wołoś, Agnieszka; Krajewska, Aleksandra

    2015-01-07

    In this work, the results of contactless magnetoconductance and Raman spectroscopy measurements performed for a graphene sample after its immersion in NaCl solution were presented. The properties of the immersed sample were compared with those of a non-immersed reference sample. Atomic force microscopy and electron spin resonance experiments confirmed the deposition of NaCl nanoparticles on the graphene surface. A weak localization signal observed using contactless magnetoconductance showed the reduction of the coherence length after NaCl treatment of graphene. Temperature dependence of the coherence length indicated a change from ballistic to diffusive regime in electron transport after NaCl treatment. The main inelastic scattering process was of the electron-electron type but the major reason for the reduction of the coherence length at low temperatures was additional, temperature independent, inelastic scattering. We associate it with spin flip scattering, caused by NaCl nanoparticles present on the graphene surface. Raman spectroscopy showed an increase in the D and D′ bands intensities for graphene after its immersion in NaCl solution. An analysis of the D, D′, and G bands intensities proved that this additional scattering is related to the decoration of vacancies and grain boundaries with NaCl nanoparticles, as well as generation of new on-site defects as a result of the decoration of the graphene surface with NaCl nanoparticles. The observed energy shifts of 2D and G bands indicated that NaCl deposition on the graphene surface did not change carrier concentration, but reduced compressive biaxial strain in the graphene layer.

  8. NNSA Corporate CPEP Process NNSA Honeywell FM&T PER NNSA/NA-00...

    National Nuclear Security Administration (NNSA)

    ... and ship all NA-242 International Non-proliferation Export Control Program (INECP) ... and ship all NA-242 International Non-proliferation Export Control Program (INECP) ...

  9. NNSA Supplemental Guidance: NA-1 SD G 1027 | Department of Energy

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

    Supplemental Guidance: NA-1 SD G 1027 NNSA Supplemental Guidance: NA-1 SD G 1027 Guidance on using Release Fraction and Modern Dosimetric information consistently with DOE STD ...

  10. Analysis of NaOH releases for Hanford tank farms

    SciTech Connect (OSTI)

    Ryan, G.W., Westinghouse Hanford

    1996-09-12

    The information contained in the canceled document is now located in the document: Consequence Analysis of a NaOH Solution Spray Release During Addition to Waste Tank, WHC-SD-WM-CN-065.

  11. NaIrO3A Pentavalent Post-perovskite

    SciTech Connect (OSTI)

    M Bremholm; S Dutton; P Stephens; R Cava

    2011-12-31

    Sodium iridium (V) oxide, NaIrO{sub 3}, was synthesized by a high pressure solid state method and recovered to ambient conditions. It is found to be isostructural with CaIrO{sub 3}, the much-studied structural analog of the high-pressure post-perovskite phase of MgSiO{sub 3}. Among the oxide post-perovskites, NaIrO{sub 3} is the first example with a pentavalent cation. The structure consists of layers of corner- and edge-sharing IrO{sub 6} octahedra separated by layers of NaO{sub 8} bicapped trigonal prisms. NaIrO{sub 3} shows no magnetic ordering and resistivity measurements show non-metallic behavior. The crystal structure, electrical and magnetic properties are discussed and compared to known post-perovskites and pentavalent perovskite metal oxides.

  12. Office of Nuclear Material Integration (ONMI), NA-73

    National Nuclear Security Administration (NNSA)

    Office of Nuclear Material Integration (ONMI), NA-73 Over 420 Government & Commercial Nuclear Entities currently report to NMMSS Mission U.S. Government's Official Database to Track Transactions, Movements and Inventories of Nuclear Materials throughout the U.S. as well as Imports and Exports Jointly funded by the NRC & NNSA - Managed by NA-73 Fuel Cycle Facilities  Conversion  Enrichment  Fuel Fabrication  Power Reactors, etc. DOE/NNSA  Defense Programs  Naval

  13. Kinetic and thermodynamic study of the reduction of 1,1-diphenylethylene by a thermally frustrated diethyl ether-BCF Lewis pair

    SciTech Connect (OSTI)

    Whittemore, Sean M.; Autrey, Thomas

    2015-02-01

    The reaction enthalpy and rate of reduction of 1,1-diphenylethylene (DPE) by the Frustrated Lewis pair formed between tris-pentafluorophenylborane (BCF) and diethyl ether (Et₂O) in dichloromethane have been determined by mixing calorimetry. At 50 °C and 13.6 atm hydrogen a 0.08 M solution of DPE is reduced to 1,1-diphenylethane in the presence of 1 equivalent BCF and 0.8 equivalents Et₂O in 40 minutes. NMR spectroscopy showed >99% conversion to the reduced product. The rate of conversion of the olefin to the alkane as monitored by the time dependent heat flow showed a linear dependence on the free Et₂O and BCF concentration. Integration of the heat flux provides a measure of the reaction enthalpy of ΔH ca. -116±4 kJ/mol for the reaction Ph₂C=CH₂+H2→Ph₂CHCH₃. The equilibrium constant for dative adduct formation, Et₂O+BCF↔Et₂O—BCF, was determined as a function of temperature by ¹⁹F NMR spectroscopy and provided an experimental measure of the enthalpy, ΔH = -54.6±3.3 kJ/mol⁻¹ and entropy, ΔS=-154±13 Jmol⁻¹ K⁻¹, for dative bond formation in DCM. Extrapolation of the van’t Hoff plot to 50 ºC provides Keq that is used to estimate the concentration of free BCF and Et₂O available to activate hydrogen. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

  14. Conceptual process design and economics for the production of high-octane gasoline blendstock via indirect liquefaction of biomass through methanol/dimethyl ether intermediates

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

    Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Snowden-Swan, Lesley J.; Humbird, David; Schaidle, Joshua; Biddy, Mary

    2015-10-28

    This paper describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economicmore » analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an nth-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.« less

  15. Conceptual process design and economics for the production of high-octane gasoline blendstock via indirect liquefaction of biomass through methanol/dimethyl ether intermediates

    SciTech Connect (OSTI)

    Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Snowden-Swan, Lesley J.; Humbird, David; Schaidle, Joshua; Biddy, Mary

    2015-10-28

    This paper describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economic analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an nth-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.

  16. Magnetism in Na-filled Fe-based skutterudites

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

    Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao; Ma, Yanming; Shi, Hongliang; Singh, David J.

    2015-06-01

    The interplay of superconductivity and magnetism is a subject of ongoing interest, stimulated most recently by the discovery of Fe-based superconductivity and the recognition that spin-fluctuations near a magnetic quantum critical point may provide an explanation for the superconductivity and the order parameter. We investigate magnetism in the Na filled Fe-based skutterudites using first principles calculations. NaFe4Sb12 is a known ferromagnet near a quantum critical point. We find a ferromagnetic metallic state for this compound driven by a Stoner type instability, consistent with prior work. In accord with prior work, the magnetization is overestimated, as expected for a material nearmore » an itinerant ferromagnetic quantum critical point. NaFe4P12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe4Sb12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe4As12 shows intermediate behavior. We also present results for skutterudite FeSb3, which is a metastable phase that has been reported in thin film form.« less

  17. Magnetism in Na-filled Fe-based skutterudites

    SciTech Connect (OSTI)

    Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao; Ma, Yanming; Shi, Hongliang; Singh, David J.

    2015-06-01

    The interplay of superconductivity and magnetism is a subject of ongoing interest, stimulated most recently by the discovery of Fe-based superconductivity and the recognition that spin-fluctuations near a magnetic quantum critical point may provide an explanation for the superconductivity and the order parameter. We investigate magnetism in the Na filled Fe-based skutterudites using first principles calculations. NaFe4Sb12 is a known ferromagnet near a quantum critical point. We find a ferromagnetic metallic state for this compound driven by a Stoner type instability, consistent with prior work. In accord with prior work, the magnetization is overestimated, as expected for a material near an itinerant ferromagnetic quantum critical point. NaFe4P12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe4Sb12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe4As12 shows intermediate behavior. We also present results for skutterudite FeSb3, which is a metastable phase that has been reported in thin film form.

  18. A new low-voltage plateau of Na3V2(PO4)(3) as an anode for Na-ion batteries

    SciTech Connect (OSTI)

    Jian, ZL; Sun, Y; Ji, XL

    2015-01-01

    A low-voltage plateau at similar to 0.3 V is discovered for the deep sodiation of Na3V2(PO4)(3) by combined computational and experimental studies. This new low-voltage plateau doubles the sodiation capacity of Na3V2(PO4)(3), thus turning it into a promising anode for Na-ion batteries.

  19. Oxygenates du`jour...MTBE? Ethanol? ETBE?

    SciTech Connect (OSTI)

    Wolfe, R.

    1995-12-31

    There are many different liquids that contain oxygen which could be blended into gasoline. The ones that have been tried and make the most sense are in the alcohol (R-OH) and ether (R-O-R) chemical family. The alcohols considered are: methanol (MeOH), ethanol (EtOH), tertiary butyl alcohol (TBA). The ethers are: methyl tertiary butyl ether (MTBE), ethyl tertiary butyl ether (ETBE), tertiary amyl methyl ether (TAME), tertiary amyl ethyl ether (TAEE), di-isopropyl ether (DIPE). Of the eight oxygenates listed above, the author describes the five that are still waiting for widespread marketing acceptance (methanol, TBA, TAME, TAEE, and DIPE). He then discusses the two most widely used oxygenates in the US, MTBE and ethanol, along with the up-and-coming ethanol ether, ETBE. Selected physical properties for all of these oxygenates can be found in Table 2 at the end of this paper. A figure shows a simplified alcohol/ether production flow chart for the oxygenates listed above and how they are interrelated.

  20. Two-frequency lidar technique for mesospheric Na temperature measurements

    SciTech Connect (OSTI)

    She, C.Y.; Latifi, H.; Yu, J.R.; Alvarez, R.J. II ); Bills, R.E.; Gardner, C.S. )

    1990-06-01

    The authors describe a new two-frequency lidar for measuring Na temperature profiles that uses a stabilized cw single-mode dye laser oscillator (rms frequency jitter < 1 MHz) followed by a pulsed-dye power amplifier (140 MHz FWHM linewidth) which is pumped by an injection-locked Nd:YAG laser. The laser oscillator is tuned to the two operating frequencies by observing the Doppler-free structure of the Na D{sub 2} fluorescence spectrum in a vapor cells. The lidar technique and the initial observations of the temperature profile between 82 and 102 km at Ft. Collins, CO (40.6{degree}N,105{degree}W) are described. Absolute temperature accuracies at the Na layer peak of better than {plus minus}3 K with a vertical resolution of 1 km and an integration period of approximately 5 min were achieved.

  1. Tracking the sources of polybrominated diphenyl ethers in birds: Foraging in waste management facilities results in higher DecaBDE exposure in males

    SciTech Connect (OSTI)

    Gentes, Marie-Line; Mazerolle, Marc J.; Giroux, Jean-François; Patenaude-Monette, Martin; and others

    2015-04-15

    Differences in feeding ecology are now recognized as major determinants of inter-individual variations in contaminant profiles of free-ranging animals, but exceedingly little attention has been devoted to the role of habitat use. Marked inter-individual variations and high levels of polybrominated diphenyl ethers (PBDEs) (e.g., DecaBDE) have previously been documented in ring-billed gulls (Larus delawarensis) breeding in a colony near Montreal (QC, Canada). However, the environmental sources of these compounds, and thus the reasons causing these large inter-individual variations remain unidentified. In the present study, we used GPS-based telemetry (±5 to 10 m precision) to track ring-billed gulls from this colony to reconstruct their movements at the landscape level. We related habitat use of individual gulls (n=76) to plasma concentrations (ng/g ww) and relative contributions (percentages) to Σ{sub 38}PBDEs of major congeners in the internationally restricted PentaBDE and current-use DecaBDE mixtures. Male gulls that visited waste management facilities (WMFs; i.e., landfills, wastewater treatment plants and related facilities; 25% of all GPS-tracked males) exhibited greater DecaBDE (concentrations and percentages) and lower PentaBDE (percentages) relative to those that did not. In contrast, no such relationships were found in females. Moreover, in males, DecaBDE (concentrations and percentages) increased with percentages of time spent in WMFs (i.e., ~5% of total foraging time), while PentaBDE (percentages) decreased. No relationships between percentages of time spent in other habitats (i.e., urban areas, agriculture fields, and St. Lawrence River) were found in either sex. These findings suggest that animals breeding in the vicinity of WMFs as well as mobile species that only use these sites for short stopovers to forage, could be at risk of enhanced DecaBDE exposure. - Highlights: • The study was conducted on breeding gulls with high levels of flame

  2. Polybrominated diphenyl ethers in e-waste: Level and transfer in a typical e-waste recycling site in Shanghai, Eastern China

    SciTech Connect (OSTI)

    Li, Yue; Duan, Yan-Ping, E-mail: duanyanping@tongji.edu.cn; Huang, Fan; Yang, Jing; Xiang, Nan; Meng, Xiang-Zhou; Chen, Ling

    2014-06-01

    Highlights: PBDEs were detected in the majority of e-waste. PBDEs were found in TVs made in China after 1990. The levels of ?PBDEs in e-waste made in Japan far exceed the threshold limit of RoHS. The inappropriate recycling and disposal of e-waste is an important source of PBDEs. - Abstract: Very few data for polybrominated diphenyl ethers (PBDEs) were available in the electronic waste (e-waste) as one of the most PBDEs emission source. This study reported concentrations of PBDEs in e-waste including printer, rice cooker, computer monitor, TV, electric iron and water dispenser, as well as dust from e-waste, e-waste dismantling workshop and surface soil from inside and outside of an e-waste recycling plant in Shanghai, Eastern China. The results showed that PBDEs were detected in the majority of e-waste, and the concentrations of ?PBDEs ranged from not detected to 175 g/kg, with a mean value of 10.8 g/kg. PBDEs were found in TVs made in China after 1990. The mean concentrations of ?PBDEs in e-waste made in Korea, Japan, Singapore and China were 1.84 g/kg, 20.5 g/kg, 0.91 g/kg, 4.48 g/kg, respectively. The levels of ?PBDEs in e-waste made in Japan far exceed the threshold limit of RoHS (1.00 g/kg). BDE-209 dominated in e-waste, accounting for over 93%. The compositional patterns of PBDEs congeners resembled the profile of Saytex 102E, indicating the source of deca-BDE. Among the samples of dust and surface soil from a typical e-waste recycling site, the highest concentrations of ?{sub 18}PBDEs and BDE-209 were found in dust in e-waste, ranging from 1960 to 340,710 ng/g and from 910 to 320,400 ng/g, which were 12 orders of magnitude higher than other samples. It suggested that PBDEs released from e-waste via dust, and then transferred to surrounding environment.

  3. Quercetin 3-O-methyl ether protects FL83B cells from copper induced oxidative stress through the PI3K/Akt and MAPK/Erk pathway

    SciTech Connect (OSTI)

    Tseng, Hsiao-Ling; Li, Chia-Jung; Huang, Lin-Huang; Chen, Chun-Yao; Tsai, Chun-Hao; Lin, Chun-Nan; Department of Biological Science and Technology, School of Medicine, China Medical University, Taichung, Taiwan ; Hsu, Hsue-Yin

    2012-10-01

    Quercetin is a bioflavonoid that exhibits several biological functions in vitro and in vivo. Quercetin 3-O-methyl ether (Q3) is a natural product reported to have pharmaceutical activities, including antioxidative and anticancer activities. However, little is known about the mechanism by which it protects cells from oxidative stress. This study was designed to investigate the mechanisms by which Q3 protects against Cu{sup 2+}-induced cytotoxicity. Exposure to Cu{sup 2+} resulted in the death of mouse liver FL83B cells, characterized by apparent apoptotic features, including DNA fragmentation and increased nuclear condensation. Q3 markedly suppressed Cu{sup 2+}-induced apoptosis and mitochondrial dysfunction, characterized by reduced mitochondrial membrane potential, caspase-3 activation, and PARP cleavage, in Cu{sup 2+}-exposed cells. The involvement of PI3K, Akt, Erk, FOXO3A, and Mn-superoxide dismutase (MnSOD) was shown to be critical to the survival of Q3-treated FL83B cells. The liver of both larval and adult zebrafish showed severe damage after exposure to Cu{sup 2+} at a concentration of 5 μM. Hepatic damage induced by Cu{sup 2+} was reduced by cotreatment with Q3. Survival of Cu{sup 2+}-exposed larval zebrafish was significantly increased by cotreatment with 15 μM Q3. Our results indicated that Cu{sup 2+}-induced apoptosis in FL83B cells occurred via the generation of ROS, upregulation and phosphorylation of Erk, overexpression of 14-3-3, inactivation of Akt, and the downregulation of FOXO3A and MnSOD. Hence, these results also demonstrated that Q3 plays a protective role against oxidative damage in zebrafish liver and remarked the potential of Q3 to be used as an antioxidant for hepatocytes. Highlights: ► Protective effects of Q3 on Cu{sup 2+}-induced oxidative stress in vitro and in vivo. ► Cu{sup 2+} induced apoptosis in FL83B cells via ROS and the activation of Erk. ► Q3 abolishes Cu{sup 2+}-induced apoptosis through the PI3K/Akt and MAPK

  4. DOE-NA-STD-3016-2006 | Department of Energy

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

    NA-STD-3016-2006 DOE-NA-STD-3016-2006 May 19, 2006 Hazard Analysis Reports for Nuclear Explosive Operations The purpose of this technical standard is to clarify DOE/NNSA expectations and to provide guidance for preparing HARs for NEOs. The general requirements for operation-specific HARs are those contained in Chapters 2-5 of DOE-STD-3009-94, Change Notice 2, "Preparation Guide for U.S. Department of Energy Nonreactor Nuclear Facility Documented Safety Analysis", or superseding

  5. NA 30 - Deputy Administrator for Naval Reactors | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration | (NNSA) 30 - Deputy Administrator for Naval Reactors NA 30 - Naval Reactors FY15 Year End Report Semi Annual Report FY14 Year End Report Semi Annual Report NX 3 - Naval Reactors Laboratory Field Office FY15 Year End

  6. Results from NA60 experiment at the CERN SPS

    SciTech Connect (OSTI)

    Usai, G.; Cicalo, C.; De Falco, A.; Floris, M.; Masoni, A.; Puddu, G.; Serci, S.; Arnaldi, R.; Colla, A.; Cortese, P.; Ferretti, A.; Oppedisano, C.; Averbeck, R.; Drees, A.; Banicz, K.; Castor, J.; Devaux, A.; Force, P.; Manso, F.; Chaurand, B.

    2006-07-11

    The NA60 experiment studies open charm and prompt dimuon production in proton-nucleus and nucleus-nucleus collisions at the CERN SPS. During 2003 the experiment collected data in Indium-Indium collisions at 158 GeV per nucleon. In this paper the first results on low mass dimuons, intermediate mass dimuons and J/{psi} suppression are presented.

  7. Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 Citation Details In-Document Search Title: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 ...

  8. Analysis of a graphite foam-NaCl latent heat storage system for...

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

    Analysis of a graphite foam-NaCl latent heat storage system for supercritical CO2 power cycles for concentrated solar power Title Analysis of a graphite foam-NaCl latent heat...

  9. Electronic structure and magnetic properties of NaOsO3 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Electronic structure and magnetic properties of NaOsO3 Title: Electronic structure and magnetic properties of NaOsO3 Authors: Du, Yongping ; Wan, Xiangang ; Sheng, Li ; Dong, ...

  10. Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 Citation Details In-Document Search Title: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 You ...

  11. Impact of Biodiesel-based Na on the Selective Catalytic Reduction...

    Office of Scientific and Technical Information (OSTI)

    of Biodiesel-based Na on the Selective Catalytic Reduction of NOx by NH3 Over Cu-zeolite Catalysts Citation Details In-Document Search Title: Impact of Biodiesel-based Na on the ...

  12. Conversion of ethanol to 1,3-butadiene over Na doped ZnxZryOz...

    Office of Scientific and Technical Information (OSTI)

    Conversion of ethanol to 1,3-butadiene over Na doped ZnxZryOz mixed metal oxides Citation Details In-Document Search Title: Conversion of ethanol to 1,3-butadiene over Na doped ...

  13. Caustic Recycle from Hanford Tank Waste Using Large Area NaSICON Structures (LANS)

    SciTech Connect (OSTI)

    Fountain, Matthew S.; Sevigny, Gary J.; Balagopal, S.; Bhavaraju, S.

    2009-03-31

    This report presents the results of a 5-day test of an electrochemical bench-scale apparatus using a proprietary (NAS-GY) material formulation of a (Na) Super Ion Conductor (NaSICON) membrane in a Large Area NaSICON Structures (LANS) configuration. The primary objectives of this work were to assess system performance, membrane seal integrity, and material degradation while removing Na from Group 5 and 6 tank waste from the Hanford Site.

  14. APPENDIXN DE-NA0000622 LIST OF APPLICABLE DIRECTIVES

    National Nuclear Security Administration (NNSA)

    .I APPENDIXN DE-NA0000622 LIST OF APPLICABLE DIRECTIVES 09/17/2014 Directive Directive Title 10 CFR 824, Current Rule Procedural Rules for the Assessment of Civil Penalties for Classified Information Security Violations 1 O CFR 830 - Current Rule Nuclear Safety Management 1 O CFR 851 - Current Rule Worker Safety and Health Program ANSI B30.11 Monorails and Underhung Hoists ANSI N323A Radiation Protection Instrumentation Test and Calibration Portable Survey Instrumentation, 1997 ANSI N43.2

  15. NA-SD 243.1B NNSA Records Management Suplemental Directive

    National Nuclear Security Administration (NNSA)

    243.1 Admin Change 1 1 3-21-16 ADMINISTRATIVE CHANGE TO NA SD 243.1, Records Management Program Locations of Changes: Page Paragraph From To Throughout Document * NNSA Records Management (Update name and hyperlink to new SharePoint site.) * NNSA Records Program Office (Update name and hyperlink to new SharePoint site.) 2 5.a.(1) * Office of the Administrator (NA-1) * Office of Defense Programs (NA- 10) * Office of Defense Nuclear Nonproliferation (NA-20) * Office of Naval Reactors (NA-30) *

  16. Characterization of H, Na-Y using amine desorption

    SciTech Connect (OSTI)

    Biaglow, A.I.; Parrillo, D.J.; Gorte, R.J. )

    1993-11-01

    The authors have examined series of partially ion-exchanged H, Na-Y zeolites using temperature programmed desorption (TPD) and thermogravimetric analysis (TGA) of isopropylamine and n-propylamine in order to examine the acid sites in H-Y zeolites as a function of Na poisoning. Both amines desorbed from Na-Y, unreacted, below 500 K; however, samples containing protonic sites exhibited two additional desorption features. First, unreacted amine molecules were observed leaving the samples between [approximately] 500 and 600 K. Second, reaction features appeared which were observed as the simultaneous desorption of propene and ammonia between 575 and 650 K for isopropylamine and between 625 and 700 K for n-propylamine. For a given sample, the number of both isopropylene and n-propylamine molecules which desorbed in both features was identical. Furthermore, the number of molecules desorbing from the two high-temperature features was found to be equal to the number of protonic sites for the entire series, which indicates that both desorption features are associated with protonic sites. This finding was confirmed by infrared spectroscopy, which also demonstrated that the unreacting desorption feature was associated with the low-frequency, hydroxyl stretch at 3540 cm[sup [minus]1] and that the reacting amine molecules was adsorbed at the high-frequency, hydroxyl stretch near 3640 cm[sup [minus]1]. The implications of these results for understanding the use of TPD-TGA of amines for the characterization of acidity is discussed. 30 refs., 9 figs., 2 tabs.

  17. NA-ASC-100R-04-Vol.1-Rev.0

    National Nuclear Security Administration (NNSA)

    100R-04-Vol.1-Rev.0 August 2004 SAND 2004-3740P Issued by Sandia National Laboratories for NNSA's Office of Advanced Simulation & Computing, NA-114. For more information, contact Dr. Dimitri Kusnezov at dimitri.kusnezov@nnsa.doe.gov ON THE COVER: These experimental images show the evolution of three gaseous cylinders (seeded with a tracer gas) that have been accelerated by a planar shock wave. The flow fields are dominated by vortices created by the shock acceleration, so the swirling red

  18. Consolidated Nuclear Security, LLC Contract NO. DE-NA0001942

    National Nuclear Security Administration (NNSA)

    Consolidated Nuclear Security, LLC Contract NO. DE-NA0001942 Modification No. 0015 Page 2 of 31 1. PURPOSE: The purpose of this modification is to: a. PART I - The Schedule i. TABLE OF CONTENTS for Section B-H, is updated; b. PART I - The Schedule, Section B, Supplies or Services and Prices/Costs i. CLIN 0001A CONTRACT TRANSITION: COST REIMBURSEMENT, NO FEE, is replaced in its entirety; ii. CLIN 0001B BASE TERM (YEARS 1-5), is replaced in its entirety; iii. CLIN 0001C OPTION I TERM (YEARS 6-7),

  19. Standard Model Tests at the NA62 CERN Experiment

    SciTech Connect (OSTI)

    Bifani, Simone

    2010-02-10

    The physics program of the NA62 experiment aims to search for phenomena beyond the Standard Model by measuring the ratio R{sub K} (GammaK->ev{sub e}(gamma))/GAMMA(K->muv{sub mu}{sub (gamma)}) and studying the ultra rare decay K{sup +}->pi{sup +}vv-bar. The status of the R{sub K} analysis based on approx40% of the data collected during 2007 and 2008 is summarized and the proposed detector layout to measure the branching ratio of the K{sup +}->pi{sup +}vv-bar decay is described.

  20. Formation of titanate nanostructures under different NaOH concentration and their application in wastewater treatment

    SciTech Connect (OSTI)

    Huang Jiquan; Cao Yongge; Deng Zhonghua; Tong Hao

    2011-03-15

    The effects of the concentration of NaOH on the formation and transformation of various titanate nanostructures were studied. With increasing NaOH concentration, three different formation mechanisms were proposed. Nanotubes can only be obtained under moderate NaOH conditions, and should transform into nanowires with prolonged hydrothermal treatment, and their formation rate is accelerated by increasing NaOH concentration. Low concentration of NaOH results in the direct formation of nanowires, while extra high concentration of NaOH leads to the formation of amorphous nanoparticles. Adsorption and photocatalysis studies show that titanate nanowires and nanotubes might be potential adsorbents for the removal of both heavy metal ions and dyes and photocatalysts for the removal of dyes from wastewater. -- Graphical abstract: The morphologies of the titanates depend deeply on the concentration of NaOH. With increasing NaOH concentration, three different formation mechanisms were proposed. The application of these titanate nanostructures in the wastewater treatment was studied. Display Omitted Research highlights: {yields} Effect of NaOH concentration on the structures of various titanates was reported. {yields} Three different formation mechanisms were presented with increasing NaOH concentration. {yields} Various titanates were used as adsorbents/photocatalysts in wastewater treatment.

  1. MINOS Calibration and NA49 Hadronic Production Studies

    SciTech Connect (OSTI)

    Morse, Robert James

    2003-08-01

    An overview of the current status of the Main Injector Neutrino Oscillation Search (MINOS) is presented. MINOS is a long-baseline experiment with two detectors situated in North America. The near detector is based at the emission point of the NuMI beam at Fermilab, Chicago, the far detector is 735 km downstream in a disused iron mine in Soudan, Minnesota. A third detector, the calibration detector, is used to cross-calibrate these detectors by sampling different particle beams at CERN. A detailed description of the design and construction of the light-injection calibration system is included. Also presented are experimental investigations into proton-carbon collisions at 158 GeV/c carried out with the NA49 experiment at CERN. The NA49 experiment is a Time Projection Chamber (TPC) based experiment situated at CERN's North Area. It is a well established experiment with well known characteristics. The data gained from this investigation are to be used to parameterize various hadronic production processes in accelerator and atmospheric neutrino production. These hadronic production parameters will be used to improve the neutrino generation models used in calculating the neutrino oscillation parameters in MINOS.

  2. Phase transitions and compressibility of NaMgF[subscript 3] ...

    Office of Scientific and Technical Information (OSTI)

    Title: Phase transitions and compressibility of NaMgFsubscript 3 (Neighborite) in perovskite- and post perovskite-related structures Authors: Martin, C. David ; Crichton, Wilson ...

  3. Influence of NaA Zeolite Crystal Expansion/Contraction on Zeolite Membrane Separations

    SciTech Connect (OSTI)

    Sorenson, Stephanie G; Payzant, E Andrew; Gibbons, Will T; Soydas, Belma; Kita, Hidetoshi; Noble, Richard D; Falconer, John L.

    2011-01-01

    In-situ powder XRD measurements showed that the NaA zeolite unit cell contracts and expands upon adsorption, and these changes in zeolite crystal size correlate with permeation changes through NaA zeolite membranes. These membranes had high pervaporation selectivities, even though gas permeation was mainly through defects, as indicated by Knudsen selectivities for gases. At 300 K and a thermodynamic activity of 0.03, water contracted the NaA crystals by 0.22 vol%, and this contraction increased the helium flux through two NaA membranes by approximately 80%. Crystal contraction also increased the fluxes of i-butane during vapor permeation and i-propanol (IPA) during pervaporation (~ 0.03 wt% water). At activities above 0.07, water expanded NaA crystals and correspondingly decreased the membrane fluxes of helium, i-butane, and IPA. Similarly, methanol contracted NaA crystals by 0.05 vol% at an activity of 0.02, and this contraction slightly increased the helium and i-butane fluxes through a NaA membrane. Above an activity of 0.06, methanol expanded the crystals, and the fluxes of helium and i-butane through a NaA membrane decreased. The adsorbate-induced changes explain some pervaporation behavior reported by others, and they indicate that crystal expansion and contraction may increase or decrease zeolite NaA membrane selectivity by changing the defect sizes.

  4. 2011 Annual Planning Summary for NNSA, Infrastructure and Environment (NA-50)

    Broader source: Energy.gov [DOE]

    The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2011 and 2012 within NNSA, Infrastructure and Environment (NA-50).

  5. Effects of Point Defects and Impurities on Kinetics in NaAlH4 | Department

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

    of Energy Point Defects and Impurities on Kinetics in NaAlH4 Effects of Point Defects and Impurities on Kinetics in NaAlH4 A presentation showing that point defects play an important role in the kinetics of NaAlH4 including vacancies and interstitials consistent with observed effects of Ti. effects_of_point_defects.pdf (503.7 KB) More Documents & Publications Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 FTA - SunLine Transit Agency - Final Report Proceedings of the 1998 U.S. DOE

  6. NaRec New and Renewable Energy Centre | Open Energy Information

    Open Energy Info (EERE)

    New and Renewable Energy Centre Jump to: navigation, search Name: NaRec New and Renewable Energy Centre Region: United Kingdom Sector: Marine and Hydrokinetic Website: http: This...

  7. High Energy Density Na-S/NiCl2 Hybrid Battery

    SciTech Connect (OSTI)

    Lu, Xiaochuan; Lemmon, John P.; Kim, Jin Yong; Sprenkle, Vincent L.; Yang, Zhenguo

    2013-02-15

    High temperature (250-350C) sodium-beta alumina batteries (NBBs) are attractive energy storage devices for renewable energy integration and other grid related applications. Currently, two technologies are commercially available in NBBs, e.g., sodium-sulfur (Na-S) battery and sodium-metal halide (ZEBRA) batteries. In this study, we investigated the combination of these two chemistries with a mixed cathode. In particular, the cathode of the cell consisted of molten NaAlCl4 as a catholyte and a mixture of Ni, NaCl and Na2S as active materials. During cycling, two reversible plateaus were observed in cell voltage profiles, which matched electrochemical reactions for Na-S and Na-NiCl2 redox couples. An irreversible reaction between sulfur species and Ni was identified during initial charge at 280C, which caused a decrease in cell capacity. The final products on discharge included Na2Sn with 1< n < 3, which differed from Na2S3 found in traditional Na-S battery. Reduction of sulfur in the mixed cathode led to an increase in overall energy density over ZEBRA batteries. Despite of the initial drop in cell capacity, the mixed cathode demonstrated relatively stable cycling with more than 95% of capacity retained over 60 cycles under 10mA/cm2. Optimization of the cathode may lead to further improvements in battery performance.

  8. Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 | Department of

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

    Energy Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 A presentation about how hydrogen can be reversibly absorbed and desorbed from NaAlH4 under moderate conditions by the addition of catalysts. catalytic_effect_of_ti.pdf (877.97 KB) More Documents & Publications Final Report for the DOE Metal Hydride Center of Excellence Effects of Point Defects and Impurities on Kinetics in NaAlH4 Prediction of New Hydrogen Storage Compounds

  9. THE SEARCH FOR A COMPLEX MOLECULE IN A SELECTED HOT CORE REGION: A RIGOROUS ATTEMPT TO CONFIRM TRANS-ETHYL METHYL ETHER TOWARD W51 e1/e2

    SciTech Connect (OSTI)

    Carroll, P. Brandon; McGuire, Brett A.; Blake, Geoffrey A.; Apponi, A. J.; Ziurys, L. M.; Remijan, Anthony

    2015-01-20

    An extensive search has been conducted to confirm transitions of trans-ethyl methyl ether (tEME, C{sub 2}H{sub 5}OCH{sub 3}), toward the high-mass star forming region W51 e1/e2 using the 12 m Telescope of the Arizona Radio Observatory at wavelengths from 2 mm and 3 mm. In short, we cannot confirm the detection of tEME toward W51 e1/e2 and our results call into question the initial identification of this species by Fuchs et al. Additionally, re-evaluation of the data from the original detection indicates that tEME is not present toward W51 e1/e2 in the abundance reported by Fuchs and colleagues. Typical peak-to-peak noise levels for the present observations of W51 e1/e2 were between 10 and 30 mK, yielding an upper limit of the tEME column density of ≤1.5 × 10{sup 15} cm{sup –2}. This would make tEME at least a factor of two times less abundant than dimethyl ether (CH{sub 3}OCH{sub 3}) toward W51 e1/e2. We also performed an extensive search for this species toward the high-mass star forming region Sgr B2(N-LMH) with the National Radio Astronomy Observatory 100 m Green Bank Telescope. No transitions of tEME were detected and we were able to set an upper limit to the tEME column density of ≤4 × 10{sup 14} cm{sup –2} toward this source. Thus, we are able to show that tEME is not a new molecular component of the interstellar medium and that an exacting assessment must be carried out when assigning transitions of new molecular species to astronomical spectra to support the identification of large organic interstellar molecules.

  10. FCC LPG olefinicity and branching enhanced by octane catalysts

    SciTech Connect (OSTI)

    Keyworth, D.A.; Reid, T.A.; Kreider, K.R.; Yatsu, C.A.

    1989-05-29

    Refiners are increasingly recognizing the downstream opportunities for fluid catalytic cracking LPG olefins for the production of methyl tertiary butyl ether (MTBE), ethyl tertiary butyl ether (ETBE, if the ethanol subsidy is extended to the production of ETBE), and as petrochemical feedstocks. Some of new gasoline FCC octane-enhancing catalysts can support those opportunities because their low non-framework alumina (low NFA) preserve both LPG olefinicity and promote branching of the LPG streams from the FCCU. The combined effect results in more isobutane for alkylate feed, more propylene in the propane/propylene stream, and more isobutene - which makes the addition of an MTBE unit very enticing.

  11. pH-regulative synthesis of Na3(VPO4)2F3 nanoflowers and their improved Na cycling stability

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

    Qi, Yuruo; Mu, Linqin; Zhao, Junmei; Hu, Yong -Sheng; Liu, Huizhou; Dai, Sheng

    2016-04-08

    Na-ion batteries are becoming increasingly attractive as a low cost energy storage device. Sodium vanadium fluorophosphates have been studied extensively recently due to their high storage capacity and high discharge voltage. Shape and size often have a crucial influence over the properties. The controlling synthesis of nanoparticles with special microstructures is significant, which becomes a challenging issue and has drawn considerable attention. In this study, Na3(VPO4)2F3 nanoflowers have been synthesized via a pH-regulative low-temperature (120 °C) hydro-thermal route. In particular, it is a green route without any organic compounds involved. The hydro-thermal reaction time for the formation of Na3(VPO4)2F3 nanoflowersmore » has also been investigated. A weak acid environment (pH = 2.60) with the possible presence of hydrogen fluoride molecules is necessary for the formation of the desired nanoflower microstructures. Moreover, compared to the nanoparticles obtained by Na2HPO4·12H2O, the as-synthesized Na3(VPO4)2F3 nanoflowers showed an excellent Na-storage performance in terms of superior cycle stability, even without any further carbon coating or high-temperature treatment.« less

  12. Concentration and precipitation of NaCl and KCl from salt cake leach solutions by electrodialysis

    SciTech Connect (OSTI)

    Sreenivasarao, K; Patsiogiannis, F.; Hryn, J.N.

    1997-02-09

    Electrodialysis was investigated for cost-effective recovery of salt from salt cake leach solutions. (Salt cake is a waste stream generated by the aluminum industry during treatment of aluminum drosses and scrap.) We used a pilot-scale electrodialysis stack of 5 membrane pairs, each with an effective area of 0.02 m{sup 2}. The diluate stream contained synthetic NaCl, KCl,mixtures of NaCl and KCl, and actual salt cake leach solutions (mainly NaCl and KCl, with small amounts of MgCl{sub 2}). We concentrated and precipitated NaCl and KCl salts from the concentrate steam when the initial diluate stream concentration was 21.5 to 28.8 wt% NaCl and KCl. We found that water transferring through the membranes was a significant factor in overall efficiency of salt recovery by electrodialysis.

  13. The (111) Surface of NaAu2. Structure, Composition, and Stability

    SciTech Connect (OSTI)

    Kwolek, Emma J.; Widmer, Roland; Gröning, Oliver; Deniz, Okan; Walen, Holly; Yuen, Chad D.; Huang, Wenyu; Schlagel, Deborah L.; Wallingford, Mark; Thiel, Patricia A.

    2014-12-17

    The (111) surface of single-crystal NaAu2 is a model for catalytically active, powdered NaAu2. We prepare and characterize this surface with a broad suite of techniques. Preparation in ultrahigh vacuum consists of the traditional approach of ion bombardment (to remove impurities) and thermal annealing (to restore surface order). Both of these steps cause loss of sodium (Na), and repeated treatments eventually trigger conversion of the surface and near-surface regions to crystalline gold. The bulk has a limited ability to repopulate the surface Na. Under conditions where Na depletion is minimized, electron diffraction patterns are consistent with the bulk-terminated structure, and scanning tunneling microscopy reveals mesa-like features with lateral dimensions of a few tens of nanometers. The tops of the mesas do not possess fine structure characteristic of a periodic lattice, suggesting that the surface layer is disordered under the conditions of these experiments.

  14. Accurate thermoelastic tensor and acoustic velocities of NaCl

    SciTech Connect (OSTI)

    Marcondes, Michel L.; Shukla, Gaurav; Silveira, Pedro da; Wentzcovitch, Renata M.

    2015-12-15

    Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.

  15. NaIrO{sub 3}-A pentavalent post-perovskite

    SciTech Connect (OSTI)

    Bremholm, M.; Dutton, S.E.; Stephens, P.W.; Cava, R.J.

    2011-03-15

    Sodium iridium (V) oxide, NaIrO{sub 3,} was synthesized by a high pressure solid state method and recovered to ambient conditions. It is found to be isostructural with CaIrO{sub 3}, the much-studied structural analog of the high-pressure post-perovskite phase of MgSiO{sub 3}. Among the oxide post-perovskites, NaIrO{sub 3} is the first example with a pentavalent cation. The structure consists of layers of corner- and edge-sharing IrO{sub 6} octahedra separated by layers of NaO{sub 8} bicapped trigonal prisms. NaIrO{sub 3} shows no magnetic ordering and resistivity measurements show non-metallic behavior. The crystal structure, electrical and magnetic properties are discussed and compared to known post-perovskites and pentavalent perovskite metal oxides. -- Graphical abstract: Sodium iridium(V) oxide, NaIrO{sub 3}, synthesized by a high pressure solid state method and recovered to ambient conditions is found to crystallize as the post-perovskite structure and is the first example of a pentavalent ABO{sub 3} post-perovskite. Research highlights: {yields} NaIrO{sub 3} post-perovskite stabilized by pressure. {yields} First example of a pentavalent oxide post-perovskite. {yields} Non-metallic and non-magnetic behavior of NaIrO{sub 3}.

  16. Investigation of the Effects of Biodiesel-based Na on Emissions Control Components

    SciTech Connect (OSTI)

    Brookshear, D. William; Nguyen, Ke; Toops, Todd J; Bunting, Bruce G; Howe, Janet E

    2012-01-01

    A single-cylinder diesel engine was used to investigate the impact of biodiesel-based Na on emissions control components using specially blended 20% biodiesel fuel (B20). The emissions control components investigated were a diesel oxidation catalyst (DOC), a Cu-zeolite-based NH{sub 3}-SCR (selective catalytic reduction) catalyst, and a diesel particulate filter (DPF). Both light-duty vehicle, DOC-SCR-DPF, and heavy-duty vehicle, DOC-DPF-SCR, emissions control configurations were employed. The accelerated Na aging is achieved by introducing elevated Na levels in the fuel, to represent full useful life exposure, and periodically increasing the exhaust temperature to replicate DPF regeneration. To assess the validity of the implemented accelerated Na aging protocol, engine-aged lean NO{sub x} traps (LNTs), DOCs and DPFs are also evaluated. To fully characterize the impact on the catalytic activity the LNT, DOC and SCR catalysts were evaluated using a bench flow reactor. The evaluation of the aged DOC samples and LNT show little to no deactivation as a result of Na contamination. However, the SCR in the light-duty configuration (DOC-SCR-DPF) was severely affected by Na contamination, especially when NO was the only fed NO{sub x} source. In the heavy-duty configuration (DOC-DPF-SCR), no impact is observed in the SCR NO{sub x} reduction activity. Electron probe micro-analysis (EPMA) reveals that Na contamination on the LNT, DOC, and SCR samples is present throughout the length of the catalysts with a higher concentration on the washcoat surface. In both the long-term engine-aged DPF and the accelerated Na-aged DPFs, there is significant Na ash present in the upstream channels; however, in the engine-aged sample lube oil-based ash is the predominant constituent.

  17. High Temperature, Low Relative Humidity, Polymer-type Membranes Based on Disulfonated Poly(arylene ether) Block and Random Copolymers Optionally Incorporating Protonic Conducting Layered Water insoluble Zirconium Fillers

    SciTech Connect (OSTI)

    McGrath, James E.; Baird, Donald G.

    2010-06-03

    Our research group has been engaged in the past few years in the synthesis of biphenol based partially disulfonated poly(arylene ether sulfone) random copolymers as potential PEMs. This series of polymers are named as BPSH-xx, where BP stands for biphenol, S stands for sulfonated, H stands for acidified and xx represents the degree of disulfonation. All of these sulfonated copolymers phase separate to form nano scale hydrophilic and hydrophobic morphological domains. The hydrophilic phase containing the sulfonic acid moieties causes the copolymer to absorb water. Water confined in hydrophilic pores in concert with the sulfonic acid groups serve the critical function of proton (ion) conduction and water transport in these systems. Both Nafion and BPSH show high proton conductivity at fully hydrated conditions. However proton transport is especially limited at low hydration level for the BPSH random copolymer. It has been observed that the diffusion coefficients of both water and protons change with the water content of the pore. This change in proton and water transport mechanisms with hydration level has been attributed to the solvation of the acid groups and the amount of bound and bulk-like water within a pore. At low hydration levels most of the water is tightly associated with sulfonic groups and has a low diffusion coefficient. This tends to encourage isolated domain morphology. Thus, although there may be significant concentrations of protons, the transport is limited by the discontinuous morphological structure. Hence the challenge lies in how to modify the chemistry of the polymers to obtain significant protonic conductivity at low hydration levels. This may be possible if one can alter the chemical structure to synthesize nanophase separated ion containing block copolymers. Unlike the BPSH copolymers, where the sulfonic acid groups are randomly distributed along the chain, the multiblock copolymers will feature an ordered sequence of hydrophilic and

  18. Process Design and Economics for the Conversion of Lignocellulosic Biomass to Hydrocarbons via Indirect Liquefaction. Thermochemical Research Pathway to High-Octane Gasoline Blendstock Through Methanol/Dimethyl Ether Intermediates

    SciTech Connect (OSTI)

    Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Schaidle, Josh; Biddy, Mary; Humbird, David; Snowden-Swan, Lesley J.; Ross, Jeff; Sexton, Danielle; Yap, Raymond; Lukas, John

    2015-03-01

    This report was developed as part of the U.S. Department of Energy’s Bioenergy Technologies Office’s (BETO’s) efforts to enable the development of technologies for the production of infrastructure-compatible, cost-competitive liquid hydrocarbon fuels from lignocellulosic biomass feedstocks. The research funded by BETO is designed to advance the state of technology of biomass feedstock supply and logistics, conversion, and overall system sustainability. It is expected that these research improvements will be made within the 2022 timeframe. As part of their involvement in this research and development effort, the National Renewable Energy Laboratory and the Pacific Northwest National Laboratory investigate the economics of conversion pathways through the development of conceptual biorefinery process models and techno-economic analysis models. This report describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas or syngas via indirect gasification, gas cleanup, catalytic conversion of syngas to methanol intermediate, methanol dehydration to dimethyl ether (DME), and catalytic conversion of DME to high-octane, gasoline-range hydrocarbon blendstock product. The conversion process configuration leverages technologies previously advanced by research funded by BETO and demonstrated in 2012 with the production of mixed alcohols from biomass. Biomass-derived syngas cleanup via reforming of tars and other hydrocarbons is one of the key technology advancements realized as part of this prior research and 2012 demonstrations. The process described in this report evaluates a new technology area for the downstream utilization of clean biomass-derived syngas for the production of high-octane hydrocarbon products through methanol and DME intermediates. In this process, methanol undergoes dehydration to

  19. Impact of Biodiesel-Based Na on the Selective Catalytic Reduction (SCR) of

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

    NOx Using Cu-zeolite | Department of Energy Biodiesel-Based Na on the Selective Catalytic Reduction (SCR) of NOx Using Cu-zeolite Impact of Biodiesel-Based Na on the Selective Catalytic Reduction (SCR) of NOx Using Cu-zeolite Discusses the impact of Na in biodiesel on three emission control devices: the diesel particulate filter, diesel oxidation catalyst, and zeolyte-based SCR catalyst deer11_toops.pdf (1.75 MB) More Documents & Publications Impacts of Biodiesel on Emission Control

  20. Recent results from NA44 and a review of HBT

    SciTech Connect (OSTI)

    Jacak, B.V.

    1995-04-01

    High energy heavy ion collisions provide the opportunity to create hadronic matter at high energy density and study its properties. In order to do this, one must characterize the collisions, ascertain the size and density of the hot system in the central region of the nucleus-nucleus system, and determine the energy density achieved. Furthermore, one needs to determine whether or not the system approaches equilibrium so thermodynamic descriptions may be used. One of the experimental tools available is the study of two-particle correlations to map the space-time extent of the system when the hadrons decouple. Other observables include the flow of energy and charged particles transverse to the beam and the rapidity distribution of protons to indicate the amount of stopping and randomization of the incoming energy. The transverse mass distributions of hadrons reflect the temperature of the system at freezeout and effects of radial expansion. The production ratios of different particles are related to the extent of chemical equilibrium reached in the collision and subsequent evolution of the hadron gas. The NA44 Experiment at CERN can address all of these observables, though here the author focus mainly on correlation measurements. Kaons and pions are emitted rather late in the evolution of a heavy ion collision, at the time of {open_quotes}freezeout{close_quotes} when the hadrons cease to interact. Their correlations reflect the space-time evolution of the later part of the collision. In addition to characterizing the collision, correlations can signal a phase transition as they measure the duration of hadronization and particle emission, which should be long in both a first- or second-order phase transition. Furthermore, correlation measurements offer an important tool to help disentangle effects of expansion from the freezeout temperature reflected in the single particle spectra.

  1. New and Renewable Energy Centre NaREC | Open Energy Information

    Open Energy Info (EERE)

    NE24 3AG Product: NaREC is a Centre of Excellence, fast-tracking concept evaluation, feasibility studies and prototype evaluation and testing through to early commercialisation....

  2. NA-243 ANNUAL REPORT 24.3.1.5.4 Cooperation with UK (Technical...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: NA-243 ANNUAL REPORT 24.3.1.5.4 Cooperation with UK Authors: Smith, Morag Kristin 1 + Show Author Affiliations Los Alamos National ...

  3. Thermochemistry of phosphorus oxynitrides: PON and LiNaPON glasses

    SciTech Connect (OSTI)

    Tessier, F.; Navrotsky, A.; Le Sauze, A.; Marchand, R.

    2000-01-01

    High-temperature solution calorimetry has been very useful in elucidating the energetics of many oxide materials. Recently, a sodium molybdate melt, 3Na{sub 2}O{center{underscore}dot}4MoO{sub 3}, has been shown to be very effective for nitride calorimetry. This methodology has now been used to determine the energetics of formation of phosphorus oxynitride PON samples and of a series of LiNaPON oxynitride glasses. The magnitude of the energetics of nitrogen/oxygen substitution within PON and LiNaPON glasses has been correctly evaluated by using N-N, O-O, P-N, and P-O bond strengths. The in-situ precipitation of metallic particles from corresponding oxides in LiNaPON glasses has been predicted from high-temperature solution calorimetry results and appropriate thermodynamic cycles. The results constitute the first set of energetic data on nitridophosphates.

  4. Simulation of energy absorption spectrum in NaI crystal detector...

    Office of Scientific and Technical Information (OSTI)

    Simulation of energy absorption spectrum in NaI crystal detector for multiple gamma energy using Monte Carlo method Citation Details In-Document Search Title: Simulation of energy ...

  5. MHK Projects/University of Manchester Phase 1 and 2 NaREC | Open...

    Open Energy Info (EERE)

    University of Manchester Phase 1 and 2 NaREC < MHK Projects Jump to: navigation, search << Return to the MHK database homepage Loading map... "minzoom":false,"mappingservice":"goo...

  6. NaI (Tl) Calorimeter Calibration and Simulation for Coulomb Sum...

    Office of Scientific and Technical Information (OSTI)

    and Simulation for Coulomb Sum Rule Experiment in Hall-A at Jefferson Lab Citation Details In-Document Search Title: NaI (Tl) Calorimeter Calibration and Simulation for ...

  7. Impact of Biodiesel-Based Na on the Selective Catalytic Reduction...

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

    Discusses the impact of Na in biodiesel on three emission control devices: the diesel particulate filter, diesel oxidation catalyst, and zeolyte-based SCR catalyst deer11toops.pdf ...

  8. Complexation of Am(III) by oxalate in NaClO{sub 4} media

    SciTech Connect (OSTI)

    Choppin, G.R.; Chen, J.F.

    1995-09-01

    The complexation of Am(III) by oxalate has been investigated in solutions of NaClO{sub 4} up to 9.0 M ionic strength at 25{degrees}C. The dissociation constants of oxalic acid were determined by potentiometric titration, while the stability constants of the Am(III)-oxalate complexation were measured by the solvent extraction technique. A thermodynamic model was constructed to predict the apparent equilibrium constants at different ionic strengths by applying the Pitzer equation using parameters for the Na{sup +}-HOx{sup -}, Na{sup +}-Ox{sup -}, AmOx{sup +}-ClO{sub 4}{sup -}, and Na{sup +}-Am(Ox){sub 2}{sup -} interactions obtained by fitting the data.

  9. Thermoelectric Enhancement in PbTe with K or Na codoping from...

    Office of Scientific and Technical Information (OSTI)

    Thermoelectric Enhancement in PbTe with K or Na codoping from tuning the interaction of the light- and heavy-hole valence bands Citation Details In-Document Search Title: ...

  10. Dislocation confinement in the growth of Na flux GaN on metalorganic...

    Office of Scientific and Technical Information (OSTI)

    Dislocation confinement in the growth of Na flux GaN on metalorganic chemical vapor deposition-GaN Citation Details In-Document Search Title: Dislocation confinement in the growth ...

  11. Europium (Z=63) n=3-3 lines in the extreme ultraviolet: Na- through...

    Office of Scientific and Technical Information (OSTI)

    Title: Europium (Z63) n3-3 lines in the extreme ultraviolet: Na- through Si-like ions Authors: Trabert, E ; Beiersdorfer, P ; Hell, N ; Brown, G V Publication Date: 2014-08-22 ...

  12. " East North Central",9.3,"NA",10.1,10.7,11.6,11.85822

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

    (Thousands) " ,"Survey Years" ,1983,1985,1988,1991,1994,2001 "Total",9.4,9.9,10.2,10.6,11.4,12 "Household Characteristics" "Census Region and Division" " Northeast",9.5,"NA",10.3...

  13. FT-IR study of CO2 interaction with Na-rich montmorillonite

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

    Krukowski, Elizabeth G.; Goodman, Angela; Rother, Gernot; Ilton, Eugene S.; Guthrie, George; Bodnar, Robert J.

    2015-05-27

    Here, carbon capture, utilization and storage (CCUS) in saline reservoirs in sedimentary formations has the potential to reduce the impact of fossil fuel combustion on climate change by reducing CO2 emissions to the atmosphere and storing the CO2 in geologic formations in perpetuity. At pressure and temperature (PT) conditions relevant to CCUS, CO2 is less dense than the pre-existing brine in the formation, and the more buoyant CO2 will migrate to the top of the formation where it will be in contact with cap rock. Interactions between clay-rich shale cap rocks and CO2 are poorly understood at PT conditions appropriatemore » for CCUS in saline formations. In this study, the interaction of CO2 with clay minerals in the cap rock overlying a saline formation has been examined using Na+ exchanged montmorillonite (Mt) (Na+-STx-1) (Na+ Mt) as an analog for clay-rich shale. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) was used to discern mechanistic information for CO2 interaction with hydrated (both one- and two-water layers) and relatively dehydrated (both dehydrated layers and one-water layers) Na+-STx-1 at 35 °C and 50 C and CO2 pressure from 0 5.9 MPa. CO2-induced perturbations associated with the water layer and Na+-STx-1 vibrational modes such as AlAlOH and AlMgOH were examined. Data indicate that CO2 is preferentially incorporated into the interlayer space, with relatively dehydrated Na+-STx-1 capable of incorporating more CO2 compared to hydrated Na+-STx-1. Spectroscopic data provide no evidence of formation of carbonate minerals or the interaction of CO2 with sodium cations in the Na+-STx-1 structure.« less

  14. Technical Qualification Program Self-Assessment Report - NA-SH - 2013 |

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

    Department of Energy NA-SH - 2013 Technical Qualification Program Self-Assessment Report - NA-SH - 2013 DOE Federal Technical Capability Panel provides the requirements for the recruitment, deployment, development, and retention of federal personnel with demonstrated technical capability to safely accomplish the Department's missions and responsibilities. This Program applies to the National Nuclear Security Administration (NNSA) Headquarters (HQ) and Field organizations that have safety

  15. Controlled thermal decomposition of NaSi to derive silicon clathrate compounds

    SciTech Connect (OSTI)

    Horie, Hiro-omi; Kikudome, Takashi; Teramura, Kyosuke; Yamanaka, Shoji

    2009-01-15

    Formation conditions of two types of sodium containing silicon clathrate compounds were determined by the controlled thermal decomposition of sodium monosilicide NaSi under vacuum. The decomposition began at 360 deg. C. Much higher decomposition temperatures and the presence of sodium metal vapor were favorable for the formation of type I clathrate compound Na{sub 8}Si{sub 46}. Type II clathrate compound Na{sub x}Si{sub 136} was obtained as a single phase at a decomposition temperature <440 deg. C under the condition without sodium metal vapor. The type I clathrate compound was decomposed to crystalline Si above 520 deg. C. The type II clathrate compound was thermally more stable, and retained at least up to 550 deg. C in vacuum. - Graphical Abstract: The optimal condition to prepare type II silicon clathrate Na{sub x}Si{sub 136} with minimal contamination of the type I phase is proposed. The starting NaSi should be thermally decomposed below 440 deg. C, and the rapid removal of Na vapor evolved is essentially important.

  16. Band gap engineering for graphene by using Na{sup +} ions

    SciTech Connect (OSTI)

    Sung, S. J.; Lee, P. R.; Kim, J. G.; Ryu, M. T.; Park, H. M.; Chung, J. W.

    2014-08-25

    Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E{sub g}) at DP in a controlled way by depositing positively charged Na{sup +} ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na{sup +} ions is found to deplete the ?* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E{sub g}. The band gap increases with increasing Na{sup +} coverage with a maximum E{sub g}?0.70?eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na{sup +} ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na{sup +} ions, which may play a vital role in utilizing graphene in future nano-electronic devices.

  17. Constrained Surface Complexation Modeling: Rutile in RbCl, NaCl, and NaCF3SO3 Media to 250 °C

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

    Machesky, Michael L.; Předota, Milan; Ridley, Moira K.; Wesolowski, David J.

    2015-06-01

    In this paper, a comprehensive set of molecular-level results, primarily from classical molecular dynamics (CMD) simulations, are used to constrain CD-MUSIC surface complexation model (SCM) parameters describing rutile powder titrations conducted in RbCl, NaCl, and NaTr (Tr = triflate, CF3SO3–) electrolyte media from 25 to 250 °C. Rb+ primarily occupies the innermost tetradentate binding site on the rutile (110) surface at all temperatures (25, 150, 250 °C) and negative charge conditions (-0.1 and -0.2 C/m2) probed via CMD simulations, reflecting the small hydration energy of this large, monovalent cation. Consequently, variable SCM parameters (Stern-layer capacitance values and intrinsic Rb+ bindingmore » constants) were adjusted relatively easily to satisfactorily match the CMD and titration data. The larger hydration energy of Na+ results in a more complex inner-sphere distribution, which shifts from bidentate to tetradentate binding with increasing negative charge and temperature, and this distribution was not matched well for both negative charge conditions, which may reflect limitations in the CMD and/or SCM approaches. Finally, in particular, the CMD axial density profiles for Rb+ and Na+ reveal that peak binding distances shift toward the surface with increasing negative charge, suggesting that the CD-MUSIC framework may be improved by incorporating CD or Stern-layer capacitance values that vary with charge.« less

  18. U.S. Oxygenate Production

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

    By: Product Area May-15 Jun-15 Jul-15 Aug-15 Sep-15 Oct-15 View History Fuel Ethanol 29,666 29,684 30,256 29,621 28,543 30,139 1981-2015 Methyl Tertiary Butyl Ether (MTBE) 1,634...

  19. Status and Impacts of State MTBE Bans

    Reports and Publications (EIA)

    2003-01-01

    This paper describes legislation passed in 16 states banning or restricting the use of methyl tertiary butyl ether (MTBE) in gasoline. Analysis of the status and impact of these state MTBE bans is provided concerning the supply and potential price changes of gasoline.

  20. Motor Gasoline Outlook and State MTBE Bans

    Reports and Publications (EIA)

    2003-01-01

    The U.S. is beginning the summer 2003 driving season with lower gasoline inventories and higher prices than last year. Recovery from this tight gasoline market could be made more difficult by impending state bans on the blending of methyl tertiary butyl ether (MTBE) into gasoline that are scheduled to begin later this year.

  1. Impact of Renewable Fuels Standard/MTBE Provisions of S. 1766

    Reports and Publications (EIA)

    2002-01-01

    This service report addresses the Renewable Fuels Standard (RFS)/methyl tertiary butyl ether (MTBE) provisions of S. 1766. The 'S. 1766' Case reflects provisions of S. 1766 including a renewable fuels standard (RFS) reaching five billion gallons by 2012, a complete phase-out of MTBE within four years, and the option for states to waive the oxygen requirement for reformulated gasoline (RFG).

  2. Eliminating MTBE in Gasoline in 2006

    Reports and Publications (EIA)

    2006-01-01

    A review of the market implications resulting from the rapid change from methyl tertiary butyl ether (MTBE) to ethanol-blended reformulated gasoline (RFG) on the East Coast and in Texas. Strains in ethanol supply and distribution will increase the potential for price volatility in these regions this summer.

  3. Acute alteration of cardiac ECG, action potential, I{sub Kr} and the human ether-a-go-go-related gene (hERG) K{sup +} channel by PCB 126 and PCB 77

    SciTech Connect (OSTI)

    Park, Mi-Hyeong; Park, Won Sun; Jo, Su-Hyun

    2012-07-01

    Polychlorinated biphenyls (PCBs) have been known as serious persistent organic pollutants (POPs), causing developmental delays and motor dysfunction. We have investigated the effects of two PCB congeners, 3,3′,4,4′-tetrachlorobiphenyl (PCB 77) and 3,3′,4,4′,5-pentachlorobiphenyl (PCB 126) on ECG, action potential, and the rapidly activating delayed rectifier K{sup +} current (I{sub Kr}) of guinea pigs' hearts, and hERG K{sup +} current expressed in Xenopus oocytes. PCB 126 shortened the corrected QT interval (QTc) of ECG and decreased the action potential duration at 90% (APD{sub 90}), and 50% of repolarization (APD{sub 50}) (P < 0.05) without changing the action potential duration at 20% (APD{sub 20}). PCB 77 decreased APD{sub 20} (P < 0.05) without affecting QTc, APD{sub 90}, and APD{sub 50}. The PCB 126 increased the I{sub Kr} in guinea-pig ventricular myocytes held at 36 °C and hERG K{sup +} current amplitude at the end of the voltage steps in voltage-dependent mode (P < 0.05); however, PCB 77 did not change the hERG K{sup +} current amplitude. The PCB 77 increased the diastolic Ca{sup 2+} and decreased Ca{sup 2+} transient amplitude (P < 0.05), however PCB 126 did not change. The results suggest that PCB 126 shortened the QTc and decreased the APD{sub 90} possibly by increasing I{sub Kr}, while PCB 77 decreased the APD{sub 20} possibly by other modulation related with intracellular Ca{sup 2+}. The present data indicate that the environmental toxicants, PCBs, can acutely affect cardiac electrophysiology including ECG, action potential, intracellular Ca{sup 2+}, and channel activity, resulting in toxic effects on the cardiac function in view of the possible accumulation of the PCBs in human body. -- Highlights: ► PCBs are known as serious environmental pollutants and developmental disruptors. ► PCB 126 shortened QT interval of ECG and action potential duration. ► PCB 126 increased human ether-a-go-go-related K{sup +} current and I{sub Kr}. ► PCB

  4. Ordered and disordered polymorphs of Na(Ni2/3Sb1/3)O₂: Honeycomb-ordered cathodes for Na-ion batteries

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

    Ma, Jeffrey; Wu, Lijun; Bo, Shou -Hang; Khalifah, Peter G.; Grey, Clare P.; Zhu, Yimei

    2015-04-14

    Na-ion batteries are appealing alternatives to Li-ion battery systems for large-scale energy storage applications in which elemental cost and abundance are important. Although it is difficult to find Na-ion batteries which achieve substantial specific capacities at voltages above 3 V (vs Na⁺/Na), the honeycomb-layered compound Na(Ni2/3Sb1/3)O₂ can deliver up to 130 mAh/g of capacity at voltages above 3 V with this capacity concentrated in plateaus at 3.27 and 3.64 V. Comprehensive crystallographic studies have been carried out in order to understand the role of disorder in this system which can be prepared in both “disordered” and “ordered” forms, depending onmore » the synthesis conditions. The average structure of Na(Ni2/3Sb1/3)O₂ is always found to adopt an O3-type stacking sequence, though different structures for the disordered (R3¯m, #166, a = b = 3.06253(3) Å and c = 16.05192(7) Å) and ordered variants (C2/m, #12, a = 5.30458(1) Å, b = 9.18432(1) Å, c = 5.62742(1) Å and β = 108.2797(2)°) are demonstrated through the combined Rietveld refinement of synchrotron X-ray and time-of-flight neutron powder diffraction data. However, pair distribution function studies find that the local structure of disordered Na(Ni2/3Sb1/3)O₂ is more correctly described using the honeycomb-ordered structural model, and solid state NMR studies confirm that the well-developed honeycomb ordering of Ni and Sb cations within the transition metal layers is indistinguishable from that of the ordered phase. The disorder is instead found to mainly occur perpendicular to the honeycomb layers with an observed coherence length of not much more than 1 nm seen in electron diffraction studies. When the Na environment is probed through ²³Na solid state NMR, no evidence is found for prismatic Na environments, and a bulk diffraction analysis finds no evidence of conventional stacking faults. The lack of long range coherence is instead attributed to disorder among the

  5. Development of alternative fuels from coal derived syngas. Topical report: Task 2.2, Demonstration of a one-step slurry-phase process for the production of dimethyl ether/methanol mixtures at the LaPorte Alternative Fuels Development Unit

    SciTech Connect (OSTI)

    Not Available

    1993-06-01

    This report documents engineering, modification, and operations efforts of demonstration of dimethyl-ether/methanol coproduction in a slurry-phase reactor, carried out in a 2-ft diameter bubble column reactor. Equipment modifications made it possible to remove the product DME and by-product CO{sub 2} from the reactor effluent. Coproduction of dimethyl-ether (DME) and methanol (MeOH) was accomplished in the slurry reactor by physically mixing two different catalysts. The catalyst used to produce MeOH from syngas was manufactured by BASF (type S3-86); the catalyst used to convert MeOH to DME was Catapal {gamma}-alumina. Ratio of MeOH to DME catalysts determined the selectivity towards DME. The demonstration sought to study effect of cocatalyst ratio on product selectivity. Three different proportions of DME catalyst were examined: 0, 6.6, and 19.3 wt % alumina. At each catalyst proportion, the plant was operated at two different gas space velocities. Some process variables were maintained at fixed conditions; most important variables included: reactor temperature (482F), reactor pressure (750 psig), and reactor feed gas composition (35% H{sub 2}, 51% CO,13% CO{sub 2} 1% other, nominal-molar basis).

  6. Batteries: An Advanced Na-FeCl2 ZEBRA Battery for Stationary Energy Storage Application

    SciTech Connect (OSTI)

    Li, Guosheng; Lu, Xiaochuan; Kim, Jin Yong; Viswanathan, Vilayanur V.; Meinhardt, Kerry D.; Engelhard, Mark H.; Sprenkle, Vincent L.

    2015-06-17

    Sodium-metal chloride batteries, ZEBRA, are considered as one of the most important electrochemical devices for stationary energy storage applications because of its advantages of good cycle life, safety, and reliability. However, sodium-nickel chloride (Na-NiCl2) batteries, the most promising redox chemistry in ZEBRA batteries, still face great challenges for the practical application due to its inevitable feature of using Ni cathode (high materials cost). In this work, a novel intermediate-temperature sodium-iron chloride (Na-FeCl2) battery using a molten sodium anode and Fe cathode is proposed and demonstrated. The first use of unique sulfur-based additives in Fe cathode enables Na-FeCl2 batteries can be assembled in the discharged state and operated at intermediate-temperature (<200°C). The results in this work demonstrate that intermediate-temperature Na-FeCl2 battery technology could be a propitious solution for ZEBRA battery technologies by replacing the traditional Na-NiCl2 chemistry.

  7. Amorphous RE–Fe–B–Na colloidal nanoparticles: High temperature solution synthesis and magnetic properties

    SciTech Connect (OSTI)

    Jia, Li-Ping; Yan, Bing

    2015-04-15

    Graphical abstract: RE–Fe–B–Na (RE = Nd–Er) colloidal nanoparticles by high-temperature solution synthesis are ultra-small monodisperse and air-stable amorphous, whose size and magnetic dependence are studied. - Highlights: • RE–Fe–B–Na nanoparticles are obtained by high-temperature solution synthesis. • These colloidal nanoparticles are monodisperse and size controlled. • The magnetism dependence and possible magnetic coupling mechanism are studied. - Abstract: RE–Fe–B–Na (RE = Nd–Er) colloidal nanoparticles are prepared by high-temperature solution synthesis. These nanoparticles are ultra-small monodisperse, air-stable and amorphous, whose particle size and magnetic property are characterized by transmission electron microscope and superconducting quantum interference device. Taking Nd–Fe–B–Na nanoparticle as an example, it is found that the particle size can be controlled in less than 7 nm. Besides, the magnetic properties of RE–Fe–B–Na colloidal nanoparticles can be compared for different rare earth elements. Based on the bulk ferromagnetic coupling, other possible magnetic coupling mechanism is discussed.

  8. The (111) Surface of NaAu2. Structure, Composition, and Stability

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

    Kwolek, Emma J.; Widmer, Roland; Gröning, Oliver; Deniz, Okan; Walen, Holly; Yuen, Chad D.; Huang, Wenyu; Schlagel, Deborah L.; Wallingford, Mark; Thiel, Patricia A.

    2014-12-17

    The (111) surface of single-crystal NaAu2 is a model for catalytically active, powdered NaAu2. We prepare and characterize this surface with a broad suite of techniques. Preparation in ultrahigh vacuum consists of the traditional approach of ion bombardment (to remove impurities) and thermal annealing (to restore surface order). Both of these steps cause loss of sodium (Na), and repeated treatments eventually trigger conversion of the surface and near-surface regions to crystalline gold. The bulk has a limited ability to repopulate the surface Na. Under conditions where Na depletion is minimized, electron diffraction patterns are consistent with the bulk-terminated structure, andmore » scanning tunneling microscopy reveals mesa-like features with lateral dimensions of a few tens of nanometers. The tops of the mesas do not possess fine structure characteristic of a periodic lattice, suggesting that the surface layer is disordered under the conditions of these experiments.« less

  9. Decontamination and decommissioning plan for processing contaminated NaK at the INEL

    SciTech Connect (OSTI)

    LaRue, D.M.; Dolenc, M.R.

    1986-09-01

    This decontamination and decommissioning (D D) plan describes the work elements and project management plan for processing four containers of contaminated sodium/potassium (NaK) and returning the Army Reentry Vehicle Facility Site (ARVFS) to a reusable condition. The document reflects the management plan for this project before finalizing the conceptual design and preliminary prototype tests of the reaction kinetics. As a result, the safety, environmental, and accident analyses are addressed as preliminary assessments before completion at a later date. ARVFS contains an earth-covered bunker, a cylindrical test pit and metal shed, and a cable trench connecting the two items. The bunker currently stores the four containers of NaK from the meltdown of the EBR-1 Mark II core. The D D project addressed in this plan involves processing the contaminated NaK and returning the ARVFS to potential reuse after cleanup.

  10. Decontamination and decommissioning plan for processing contaminated NaK at the INEL

    SciTech Connect (OSTI)

    LaRue, D.M.; Dolenc, M.R.

    1986-09-01

    This decontamination and decommissioning (D&D) plan describes the work elements and project management plan for processing four containers of contaminated sodium/potassium (NaK) and returning the Army Reentry Vehicle Facility Site (ARVFS) to a reusable condition. The document reflects the management plan for this project before finalizing the conceptual design and preliminary prototype tests of the reaction kinetics. As a result, the safety, environmental, and accident analyses are addressed as preliminary assessments before completion at a later date. ARVFS contains an earth-covered bunker, a cylindrical test pit and metal shed, and a cable trench connecting the two items. The bunker currently stores the four containers of NaK from the meltdown of the EBR-1 Mark II core. The D&D project addressed in this plan involves processing the contaminated NaK and returning the ARVFS to potential reuse after cleanup.

  11. Caustic Recycle from Hanford Tank Waste Using NaSICON Ceramic Membrane Salt Splitting Process

    SciTech Connect (OSTI)

    Fountain, Matthew S.; Kurath, Dean E.; Sevigny, Gary J.; Poloski, Adam P.; Pendleton, J.; Balagopal, S.; Quist, M.; Clay, D.

    2009-02-20

    A family of inorganic ceramic materials, called sodium (Na) Super Ion Conductors (NaSICON), has been studied at Pacific Northwest National Laboratory (PNNL) to investigate their ability to separate sodium from radioactively contaminated sodium salt solutions for treating U.S. Department of Energy (DOE) tank wastes. Ceramatec Inc. developed and fabricated a membrane containing a proprietary NAS-GY material formulation that was electrochemically tested in a bench-scale apparatus with both a simulant and a radioactive tank-waste solution to determine the membrane performance when removing sodium from DOE tank wastes. Implementing this sodium separation process can result in significant cost savings by reducing the disposal volume of low-activity wastes and by producing a NaOH feedstock product for recycle into waste treatment processes such as sludge leaching, regenerating ion exchange resins, inhibiting corrosion in carbon-steel tanks, or retrieving tank wastes.

  12. Novel Fluorescent Cationic Phospholipid, O-4-Napthylimido-1-Butyl...

    Office of Scientific and Technical Information (OSTI)

    Language: ENGLISH Subject: 59 BASIC BIOLOGICAL SCIENCES; 60 APPLIED LIFE SCIENCES; ANHYDRIDES; CARDIOLIPIN; DNA; ENCAPSULATION; HYDRATION; LECITHINS; LIPIDS; MIXTURES; MORPHOLOGY...

  13. Tris(Cyclopentadienyl)Uranium-t-Butyl: Synthesis, reactions, and mechanisms

    SciTech Connect (OSTI)

    Weydert, M.

    1993-04-01

    Compounds (RC{sub 5}H{sub 4}){sub 3}U(t-Bu) were prepared for R = H, Me, Et. Their decomposition products in aromatic solvents are consistent with a radical decomposition pathway induced by solvent-assisted U-C bond homolysis. NMR was used to study the reactions of (RC{sub 5}H{sub 4}){sub 3}UCl with t-BuLi (R = t-Bu, Me{sub 3}Si). Reactions of (MeC{sub 5}H{sub 4}){sub 3}U(t-Bu) with Lewis bases and fluorocarbons were studied. Analogous reaction chemistry between (RC{sub 5}H{sub 4}){sub 3}ThX systems and t-BuLi was also studied, and reactivity differences between U and Th are discussed. Synthesis of sterically crowded (RC{sub 5}H{sub 4}){sub 4}U compounds is next considered. Reaction of the trivalent (RC{sub 5}H{sub 4}){sub 3}U with (RC{sub 5}H{sub 4}){sub 2}Hg results in formation of (RC{sub 5}H{sub 4}){sub 4}U. Steric congestion, cyclopentadienyl ligand exchange, and electron transfer are discussed. (DLC)

  14. Tris(Cyclopentadienyl)Uranium-t-Butyl: Synthesis, reactions, and mechanisms

    SciTech Connect (OSTI)

    Weydert, M.

    1993-04-01

    Compounds (RC[sub 5]H[sub 4])[sub 3]U(t-Bu) were prepared for R = H, Me, Et. Their decomposition products in aromatic solvents are consistent with a radical decomposition pathway induced by solvent-assisted U-C bond homolysis. NMR was used to study the reactions of (RC[sub 5]H[sub 4])[sub 3]UCl with t-BuLi (R = t-Bu, Me[sub 3]Si). Reactions of (MeC[sub 5]H[sub 4])[sub 3]U(t-Bu) with Lewis bases and fluorocarbons were studied. Analogous reaction chemistry between (RC[sub 5]H[sub 4])[sub 3]ThX systems and t-BuLi was also studied, and reactivity differences between U and Th are discussed. Synthesis of sterically crowded (RC[sub 5]H[sub 4])[sub 4]U compounds is next considered. Reaction of the trivalent (RC[sub 5]H[sub 4])[sub 3]U with (RC[sub 5]H[sub 4])[sub 2]Hg results in formation of (RC[sub 5]H[sub 4])[sub 4]U. Steric congestion, cyclopentadienyl ligand exchange, and electron transfer are discussed. (DLC)

  15. FT-IR study of CO2 interaction with Na-rich montmorillonite

    SciTech Connect (OSTI)

    Krukowski, Elizabeth G.; Goodman, Angela; Rother, Gernot; Ilton, Eugene S.; Guthrie, George; Bodnar, Robert J.

    2015-05-27

    Here, carbon capture, utilization and storage (CCUS) in saline reservoirs in sedimentary formations has the potential to reduce the impact of fossil fuel combustion on climate change by reducing CO2 emissions to the atmosphere and storing the CO2 in geologic formations in perpetuity. At pressure and temperature (PT) conditions relevant to CCUS, CO2 is less dense than the pre-existing brine in the formation, and the more buoyant CO2 will migrate to the top of the formation where it will be in contact with cap rock. Interactions between clay-rich shale cap rocks and CO2 are poorly understood at PT conditions appropriate for CCUS in saline formations. In this study, the interaction of CO2 with clay minerals in the cap rock overlying a saline formation has been examined using Na+ exchanged montmorillonite (Mt) (Na+-STx-1) (Na+ Mt) as an analog for clay-rich shale. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) was used to discern mechanistic information for CO2 interaction with hydrated (both one- and two-water layers) and relatively dehydrated (both dehydrated layers and one-water layers) Na+-STx-1 at 35 °C and 50 C and CO2 pressure from 0 5.9 MPa. CO2-induced perturbations associated with the water layer and Na+-STx-1 vibrational modes such as AlAlOH and AlMgOH were examined. Data indicate that CO2 is preferentially incorporated into the interlayer space, with relatively dehydrated Na+-STx-1 capable of incorporating more CO2 compared to hydrated Na+-STx-1. Spectroscopic data provide no evidence of formation of carbonate minerals or the interaction of CO2 with sodium cations in the Na+-STx-1 structure.

  16. Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4

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

    Catalytic Effect of Ti for Hydrogen Cycling in NaAlH 4 Mei-Yin Chou School of Physics Georgia Institute of Technology (DE-FG02-05ER46229) Acknowledgment: Yan Wang, Roland Stumpf Why is NaAlH 4 interesting? A viable candidate for hydrogen-storage material: High theoretical weight-percent hydrogen content of 5.55% and low cost But (before 1997) Dehydrogenation occurs at high temperature; rehydrogenation is difficult. Bogdanovic and Schwickardi, 1997 Hydrogen can be reversibly absorbed and desorbed

  17. POST-OPERATIONAL TREATMENT OF RESIDUAL NA COOLLANT IN EBR-2 USING CARBONATION

    SciTech Connect (OSTI)

    Sherman, S.; Knight, C.

    2011-03-08

    At the end of 2002, the Experimental Breeder Reactor Two (EBR-II) facility became a U.S. Resource Conservation and Recovery Act (RCRA) permitted site, and the RCRA permit1 compelled further treatment of the residual sodium in order to convert it into a less reactive chemical form and remove the by-products from the facility, so that a state of RCRA 'closure' for the facility may be achieved (42 U.S.C. 6901-6992k, 2002). In response to this regulatory driver, and in recognition of project budgetary and safety constraints, it was decided to treat the residual sodium in the EBR-II primary and secondary sodium systems using a process known as 'carbonation.' In early EBR-II post-operation documentation, this process is also called 'passivation.' In the carbonation process (Sherman and Henslee, 2005), the system containing residual sodium is flushed with humidified carbon dioxide (CO{sub 2}). The water vapor in the flush gas reacts with residual sodium to form sodium hydroxide (NaOH), and the CO{sub 2} in the flush gas reacts with the newly formed NaOH to make sodium bicarbonate (NaHCO{sub 3}). Hydrogen gas (H{sub 2}) is produced as a by-product. The chemical reactions occur at the exposed surface of the residual sodium. The NaHCO{sub 3} layer that forms is porous, and humidified carbon dioxide can penetrate the NaHCO{sub 3} layer to continue reacting residual sodium underneath. The rate of reaction is controlled by the thickness of the NaHCO{sub 3} surface layer, the moisture input rate, and the residual sodium exposed surface area. At the end of carbonation, approximately 780 liters of residual sodium in the EBR-II primary tank ({approx}70% of original inventory), and just under 190 liters of residual sodium in the EBR-II secondary sodium system ({approx}50% of original inventory), were converted into NaHCO{sub 3}. No bare surfaces of residual sodium remained after treatment, and all remaining residual sodium deposits are covered by a layer of NaHCO{sub 3}. From a

  18. Phase Development of NaOH Activated Blast Furnace Slag Geopolymers Cured at 90 deg. C

    SciTech Connect (OSTI)

    Zhang Bo; Bigley, C.; Ryan, M. J.; MacKenzie, K. J. D.; Brown, I. W. M.

    2009-07-23

    Geopolymers were synthesized from blast furnace slag activated with different levels of NaOH and cured at 90 deg. C. The crystalline and amorphous phases of the resulting geopolymers were characterized by XRD quantitative analysis, and {sup 29}Si and {sup 27}Al MAS NMR. Amorphous species are predominant in materials at all NaOH levels. In the amorphous phase, aluminium substituted silicate species (Q{sup 2}(1Al)) dominated among the species of Q{sup 0}, Q{sup 1}, Q{sup 2}(1Al) and Q{sup 2}(where Q{sup n}(mAl) denotes a silicate tetrahedron [SiO{sub 4}] with n bridging oxygen atoms and m adjacent tetrahedra substituted with an aluminate tetrahedron [AlO{sub 4}]). In addition, it was also found that 4-fold coordination aluminium [AlO{sub 4}] species ({sup 27}Al chemical shift 66.1 ppm) in low NaOH containing materials differs from the species ({sup 27}Al chemical shift 74.3 ppm) in high NaOH containing materials.

  19. Consequence analysis of an unmitigated NaOH solution spray release during addition to waste tank

    SciTech Connect (OSTI)

    Himes, D.A., Westinghouse Hanford

    1996-08-21

    Toxicological consequences were calculated for a postulated maximum caustic soda (NaOH) solution spray leak during addition to a waste tank to adjust tank pH. Although onsite risk guidelines were exceeded for the unmitigated release, site boundary consequences were below the level of concern. Means of mitigating the release so as to greatly reduce the onsite consequences were recommended.

  20. Consequence analysis of a postulated NaOH release from the 2727-W sodium storage facility

    SciTech Connect (OSTI)

    Himes, D.A.

    1996-09-27

    Toxicological and radiological consequences were calculated for a maximum sodium fire in the 2727-W Sodium Storage Facility. The sodium is solid and cannot leak out of the tanks. The maximum fire therefore corresponded to the maximum cross-sectional area of one tank. It was shown that release of the entire facility inventory of 22 Na is insufficient to produce an appreciable effect.

  1. Ion-conduction mechanisms in NaSICON-type membranes for energy storage and utilization

    SciTech Connect (OSTI)

    McDaniel, Anthony H.; Ihlefeld, Jon F.; Bartelt, Norman Charles

    2015-10-01

    Next generation metal-ion conducting membranes are key to developing energy storage and utilization technologies like batteries and fuel ce lls. Sodium super-ionic conductors (aka NaSICON) are a class of compounds with AM 1 M 2 (PO 4 ) 3 stoichiometry where the choice of "A" and "M" cation varies widely. This report, which de scribes substitutional derivatives of NZP (NaZr 2 P 3 O 12 ), summarizes the accomplishments of a Laboratory D irected Research and Development (LDRD) project to analyze transport mec hanisms using a combination of in situ studies of structure, composition, and bonding, com bined with first principles theory and modeling. We developed an experimental platform and applied methods, such as synchrotron- based X-ray spectroscopies, to probe the electronic structure of compositionally well-controlled NaSICON films while in operation ( i.e ., conducting Na ions exposed to oxygen or water va por atmospheres). First principles theory and modeling were used to interpret the experimental observations and develop an enhanced understanding of atomistic processes that give rise to, and affect, ion conduction.

  2. Reactivity enhancement of oxide skins in reversible Ti-doped NaAlH{sub 4}

    SciTech Connect (OSTI)

    Delmelle, Renaud; Borgschulte, Andreas; Gehrig, Jeffrey C.; Züttel, Andreas

    2014-12-15

    The reversibility of hydrogen sorption in complex hydrides has only been shown unambiguously for NaAlH{sub 4} doped with transition metal compounds. Despite a multitude of investigations of the effect of the added catalyst on the hydrogen sorption kinetics of NaAlH{sub 4}, the mechanism of catalysis remains elusive so far. Following the decomposition of TiCl{sub 3}-doped NaAlH{sub 4} by in-situ X-ray photoelectron spectroscopy (XPS), we link the chemical state of the dopant with those of the hydride and decomposition products. Titanium and aluminium change their oxidation states during cycling. The change of the formal oxidation state of Al from III to zero is partly due to the chemical reaction from NaAlH{sub 4} to Al. Furthermore, aluminium oxide is formed (Al{sub 2}O{sub 3}), which coexists with titanium oxide (Ti{sub 2}O{sub 3}). The interplay of metallic and oxidized Ti with the oxide skin might explain the effectiveness of Ti and similar dopants (Ce, Zr…)

  3. Electron doping evolution of the magnetic excitations in NaFe1 xCoxAs

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

    Carr, Scott V.; Zhang, Chenglin; Song, Yu; Tan, Guotai; Li, Yu; Abernathy, Douglas L.; Stone, Matthew B.; Granroth, Garrett E.; Perring, T. G.; Dai, Pengcheng

    2016-06-13

    We use time-of-flight (TOF) inelastic neutron scattering (INS) spectroscopy to investigate the doping dependence of magnetic excitations across the phase diagram of NaFe1-xCoxAs with x = 0, 0.0175, 0.0215, 0.05, and 0.11. The effect of electron-doping by partially substituting Fe by Co is to form resonances that couple with superconductivity, broaden and suppress low energy (E 80 meV) spin excitations compared with spin waves in undoped NaFeAs. However, high energy (E > 80 meV) spin excitations are weakly Co-doping dependent. Integration of the local spin dynamic susceptibility "(!) of NaFe1-xCoxAs reveals a total fluctuating moment of 3.6 μ2 B/Fe andmore » a small but systematic reduction with electron doping. The presence of a large spin gap in the Cooverdoped nonsuperconducting NaFe0.89Co0.11As suggests that Fermi surface nesting is responsible for low-energy spin excitations. These results parallel Ni-doping evolution of spin excitations in BaFe2-xNixAs2, confirming the notion that low-energy spin excitations coupling with itinerant electrons are important for superconductivity, while weakly doping dependent high-energy spin excitations result from localized moments.« less

  4. LANL surveillance requirements management and surveillance requirements from NA-12 tasking memo

    SciTech Connect (OSTI)

    Hills, Charles R

    2011-01-25

    Surveillance briefing to NNSA to support a tasking memo from NA-12 on Surveillance requirements. This talk presents the process for developing surveillance requirements, discusses the LANL requirements that were issued as part of that tasking memo, and presents recommendations on Component Evaluation and Planning Committee activities for FY11.

  5. Study of the nanobubble phase of aqueous NaCl solutions by dynamic light scattering

    SciTech Connect (OSTI)

    Bunkin, N F; Shkirin, A V [A M Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation); Burkhanov, I S; Chaikov, L L [P N Lebedev Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation); Lomkova, A K [N.E. Bauman Moscow State Technical University, Moscow (Russian Federation)

    2014-11-30

    Aqueous NaCl solutions with different concentrations have been investigated by dynamic scattering of laser radiation. It is experimentally shown that these solutions contain scattering particles with a wide size distribution in a range of ?10 100 nm. The experimental results indirectly confirm the existence of quasi-stable gas nanobubbles in the bulk of aqueous ionic solutions. (light scattering)

  6. Effect of Na-doped Mo on Selenization Pathways for CuGa/In Metallic Precursors

    SciTech Connect (OSTI)

    Krishnan, Rangarajan; Tong, Gabriel; Kim, Woo Kyoung; Payzant, E Andrew; Adelhelm, Christoph; Franzke, Enrico; Winkler, Jörg; Anderson, Timothy J

    2013-01-01

    Reaction pathways were followed for selenization of CuGa/In precursor structures using in-situ high temperature X-ray diffraction (HTXRD). Precursor films were deposited on Na-free and Na-doped Mo (3 and 5 at %)/Na-free glass. The precursor film was constituted with CuIn, In, Cu9Ga4, Cu3Ga, Cu16In9 and Mo. HTXRD measurements during temperature ramp selenization showed CIS formation occurs first, followed by CGS formation, and then mixing on the group III sub-lattice to form CIGS. CIGS formation was observed to be complete at ~450 C for samples deposited on 5 at % Na-doped Mo substrates. MoSe2 formation was evidenced after the CIGS synthesis reaction was complete. The Ga distribution in the annealed CIGS was determined by Rietveld refinement. Isothermal reaction studies were conducted for CIGS (112) formation in the temperature range 260-320 C to estimate the rate constants.

  7. Hydrothermal crystallization of Na{sub 2}Ti{sub 6}O{sub 13}, Na{sub 2}Ti{sub 3}O{sub 7}, and Na{sub 16}Ti{sub 10}O{sub 28} in the NaOH-TiO{sub 2}-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa: The structural mechanism of self-assembly of titanates from suprapolyhedral clusters

    SciTech Connect (OSTI)

    Hyushin, G. D.

    2006-07-15

    An increase in the NaOH concentration in the NaOH-TiO{sub 2} (rutile)-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa leads to the crystallization R-TiO{sub 2} + Na{sub 2}Ti{sub 6}O{sub 13} {sup {yields}} Na{sub 2}Ti{sub 3}O{sub 7} {sup {yields}} Na{sub 16}Ti{sub 10}O{sub 28}. Crystals of the Na{sub 2}Ti{sub 6}O{sub 13} titanate (space group C2/m) have the three-dimensional framework structure Ti{sub 6}O{sub 13}. The structure of the Na{sub 2}Ti{sub 3}O{sub 7} titanate (space group P2{sub 1}/m) contains the two-dimensional layers Ti{sub 3}O{sub 7}. The structure of the Na{sub 16}Ti{sub 10}O{sub 28} titanate (space group P-1) is composed of the isolated ten-polyhedron cluster precursors Ti{sub 10}O{sub 28}. In all the structures, the titanium atoms have an octahedral coordination (MTiO{sub 6}). The matrix self-assembly of the Na{sub 2}Ti{sub 6}O{sub 13} and Na{sub 2}Ti{sub 3}O{sub 7} (Na{sub 4}Ti{sub 6}O{sub 14}) crystal structures from Na{sub 4}M{sub 12} invariant precursors is modeled. These precursors are clusters consisting of twelve M polyhedra linked through the edges. It is demonstrated that the structurally rigid precursors Na{sub 4}M{sub 12} control all processes of the subsequent evolution of the crystal-forming titanate clusters. The specific features of the self-assembly of the Na{sub 2}Ti{sub 3}O{sub 7} structure that result from the additional incorporation of twice the number of sodium atoms into the composition of the high-level clusters are considered.

  8. Background studies for NaI(Tl) detectors in the ANAIS dark matter project

    SciTech Connect (OSTI)

    Amaré, J.; Borjabad, S.; Cebrián, S.; Cuesta, C.; Fortuño, D.; García, E.; Ginestra, C.; Gómez, H.; Martínez, M.; Oliván, M. A.; Ortigoza, Y.; Solórzano, A. Ortiz de; Pobes, C.; Puimedón, J.; Sarsa, M. L.; Villar, J. A.; Villar, P.

    2013-08-08

    Several large NaI(Tl) detectors, produced by different companies, have been operated in the Canfranc Underground Laboratory (LSC) in the frame of the ANAIS (Annual modulation with NaI Scintillators) project devoted to the direct detection of dark matter. A complete background model has been developed for a 9.6 kg detector (referred as ANAIS-0 prototype) after a long data taking at LSC. Activities from the natural chains of {sup 238}U and {sup 232}Th, and {sup 40}K in the NaI(Tl) crystal were evaluated applying different methods: discrimination of alpha particles vs beta/gamma background by Pulse Shape Analysis for quantifying the content of the natural chains and coincidence techniques for {sup 40}K. Radioactive contaminations in the detector and shielding components were also determined by HPGe spectrometry. Monte Carlo simulations using Geant4 package were carried out to evaluate their contribution. At high energies, most of the measured background is nicely reproduced; at low energy some non-explained components are still present, although some plausible background sources have been analyzed. The {sup 40}K content of the NaI(Tl) crystal has been confirmed to be the dominant contributor to the measured background with this detector. In addition, preliminary results of the background characterization, presently underway at the LSC, of two recently produced NaI(Tl) detectors, with 12.5 kg mass each, will be presented: cosmogenic induced activity has been clearly observed and is being quantified, and {sup 40}K activity at a level ten times lower than in ANAIS-0 has been determined.

  9. Cleaning residual NaK in the fast flux test facility fuel storage cooling system

    SciTech Connect (OSTI)

    Burke, T.M.; Church, W.R.; Hodgson, K.M.

    2008-01-15

    The Fast Flux Test Facility (FFTF), located on the U.S. Department of Energy's Hanford Reservation, is a liquid metal-cooled test reactor. The FFTF was constructed to support the U.S. Liquid Metal Fast Breeder Reactor Program. The bulk of the alkali metal (sodium and NaK) has been drained and will be stored onsite prior to final disposition. Residual NaK needed to be removed from the pipes, pumps, heat exchangers, tanks, and vessels in the Fuel Storage Facility (FSF) cooling system. The cooling system was drained in 2004 leaving residual NaK in the pipes and equipment. The estimated residual NaK volume was 76 liters in the storage tank, 1.9 liters in the expansion tank, and 19-39 liters in the heat transfer loop. The residual NaK volume in the remainder of the system was expected to be very small, consisting of films, droplets, and very small pools. The NaK in the FSF Cooling System was not radiologically contaminated. The portions of the cooling system to be cleaned were divided into four groups: 1. The storage tank, filter, pump, and associated piping; 2. The heat exchanger, expansion tank, and associated piping; 3. Argon supply piping; 4. In-vessel heat transfer loop. The cleaning was contracted to Creative Engineers, Inc. (CEI) and they used their superheated steam process to clean the cooling system. It has been concluded that during the modification activities (prior to CEI coming onsite) to prepare the NaK Cooling System for cleaning, tank T-914 was pressurized relative to the In-Vessel NaK Cooler and NaK was pushed from the tank back into the Cooler and that on November 6, 2005, when the gas purge through the In-Vessel NaK Cooler was increased from 141.6 slm to 283.2 slm, NaK was forced from the In-Vessel NaK Cooler and it contacted water in the vent line and/or scrubber. The gases from the reaction then traveled back through the vent line coating the internal surface of the vent line with NaK and NaK reaction products. The hot gases also exited the

  10. K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9}: The first osmium perovskites containing alkali cations at the 'A' site

    SciTech Connect (OSTI)

    Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin

    2012-07-15

    K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9} were obtained from solid-state reactions of potassium superoxide, sodium peroxide and osmium metal at elevated oxygen pressures. K{sub 2}NaOsO{sub 5.5} crystallizes as an oxygen-deficient cubic double perovskite in space group Fm3{sup Macron }m with a=8.4184(5) A and contains isolated OsO{sub 6} octahedra. K{sub 3}NaOs{sub 2}O{sub 9} crystallizes hexagonally in P6{sub 3}/mmc with a=5.9998(4) A and c=14.3053(14) A. K{sub 3}NaOs{sub 2}O{sub 9} consists of face sharing Os{sub 2}O{sub 9} pairs of octahedra. According to magnetic measurements K{sub 2}NaOsO{sub 5.5} is diamagnetic, whereas K{sub 3}NaOs{sub 2}O{sub 9} displays strong antiferromagnetic coupling (T{sub N}=140 K), indicating enhanced magnetic interactions within the octahedral pair. - Graphical abstract: High oxidation states of Os, obtained by high oxygen pressure synthesis, are accommodated in double and triple perovskite matrices. K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions. Highlights: Black-Right-Pointing-Pointer New osmates containing highly oxidized Os were obtained by high O{sub 2} pressure synthesis. Black-Right-Pointing-Pointer High oxidation states of Os are accommodated in double and triple perovskite matrices. Black-Right-Pointing-Pointer Both compounds represent the first Os perovskites with an alkali metal at the A site. Black-Right-Pointing-Pointer K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions within the octahedral pair.

  11. The first Fe-based Na+-ion cathode with two distinct types of polyanions: Fe3P5SiO19

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

    Kan, W. H.; Huq, A.; Manthiram, A.

    2015-05-15

    We report the synthesis, structure, and electrochemistry of the first Na+-ion cathode with two distinct types of polyanions: Fe3P5SiO19. The Fe-based cathode has a reversible capacity of ca. 70 mAh g-1; ca. 1.7 Na+ ions per formula can be inserted/extracted at an average voltage of 2.5 V versus Na+/Na.

  12. Synthesis, structure and properties of new chain cuprates, Na{sub 3}Cu{sub 2}O{sub 4} and Na{sub 8}Cu{sub 5}O{sub 10}

    SciTech Connect (OSTI)

    Sofin, Mikhail; Peters, Eva-Maria; Jansen, Martin . E-mail: jansen@fkf.mpg.de

    2005-12-15

    Na{sub 3}Cu{sub 2}O{sub 4} and Na{sub 8}Cu{sub 5}O{sub 10} were prepared via the azide/nitrate route from stoichiometric mixtures of the precursors CuO, NaN{sub 3} and NaNO{sub 3}. Single crystals have been grown by subsequent annealing of the as prepared powders at 500 deg. C for 2000h in silver crucibles, which were sealed in glass ampoules under dried Ar. According to the X-ray analysis of the crystal structures (Na{sub 3}Cu{sub 2}O{sub 4}: P2{sub 1}/n, Z=4, a=5.7046(2), b=11.0591(4), c=8.0261(3)A, {beta}=108.389(1){sup o}, 2516 independent reflections, R{sub 1}(all)=0.0813, wR{sub 2} (all)=0.1223; Na{sub 8}Cu{sub 5}O{sub 10}: Cm, Z=2, a=8.228(1), b=13.929(2), c=5.707(1)A, {beta}=111.718(2){sup o}, 2949 independent reflections, R{sub 1}(all)=0.0349, wR{sub 2} (all)=0.0850), the main feature of both crystal structures are CuO{sub 2} chains built up from planar, edge-sharing CuO{sub 4} squares. From the analysis of the Cu-O bond lengths, the valence states of either +2 or +3 can be unambiguously assigned to each copper atom. In Na{sub 3}Cu{sub 2}O{sub 4} these ions alternate in the chains, in Na{sub 8}Cu{sub 5}O{sub 10} the periodically repeated part consists of five atoms according to Cu{sup II}-Cu{sup II}-Cu{sup III}-Cu{sup II}-Cu{sup III}. The magnetic susceptibilities show the dominance of antiferromagnetic interactions. At high temperatures the compounds exhibit Curie-Weiss behaviour (Na{sub 3}Cu{sub 2}O{sub 4}: {mu}=1.7{mu}{sub B}, {theta}=-160K, Na{sub 8}Cu{sub 5}O{sub 10}: {mu}=1.8{mu}{sub B}, {theta}=-58K, magnetic moments per divalent copper ion). Antiferromagmetic ordering is observed to occur in these compounds below 13K (Na{sub 3}Cu{sub 2}O{sub 4}) and 24K (Na{sub 8}Cu{sub 5}O{sub 10})

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

    SciTech Connect (OSTI)

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

    2012-08-29

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

  14. Groundwater quality assessment plan for the 1324-N/NA Site: Phase 1 (first determination)

    SciTech Connect (OSTI)

    Hartman, M.J.

    1998-05-01

    The 1324-N Surface Impoundment and 1324-NA Percolation Pond (1324-N/NA Site) are treatment/storage/disposal sites regulated under the Resource Conservation and Recovery Act of 1976 (RCRA). They are located in the 100-N Area of the Hanford Site, and were used to treat and dispose of corrosive waste from a water treatment plant. Groundwater monitoring under an interim-status detection program compared indicator parameters from downgradient wells to background values established from an upgradient well. One of the indicator parameters, total organic carbon (TOC), exceeded its background value in one downgradient well, triggering an upgrade from a detection program to an assessment program. This plan presents the first phase of the assessment program.

  15. Consequence analysis of a postulated NaOH release from the 2727-W sodium storage facility

    SciTech Connect (OSTI)

    Himes, D.A., Westinghouse Hanford

    1996-08-02

    Toxicological and radiological consequences were calculated for a maximum sodium fire in the 2727-W Sodium Storage Facility. The sodium is solid and cannot leak out of the tanks. The maximum fire therefore corresponded to the maximum cross-sectional area of one tank. It was shown that release of the entire facility inventory of {sup 22}Na is insufficient to produce an appreciable effect.

  16. {alpha}-particle optical potentials for nuclear astrophysics (NA) and nuclear technology (NT)

    SciTech Connect (OSTI)

    Avrigeanu, V.; Avrigeanu, M.

    2012-11-20

    The high precision of recent measurements for low-energy {alpha}-particle elastic-scattering as well as induced-reaction data makes possible the understanding of actual limits and possible improvement of the global optical model potentials parameters. Involvement of recent optical potentials for reliable description of both the elastic scattering and emission of {alpha}-particles, of equal interest for nuclear astrophysics (NA) and nuclear technology (NT) for fusion devices, is discussed in the present work.

  17. APM-16-009-SC-Emergency-Management-DE-NA0002976.pdf

    National Nuclear Security Administration (NNSA)

    6-009 National Nuclear Security Administration Categorical Exclusion Determination Form Proposed Action Title: South Carolina Emergency Management Division Support Program or Field Office: APM Grant No.: DE-NA0002976 Location(s) (City/County/State): South Carolina Proposed Action Description: The U.S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) proposes to provide financial and technical assistance South Carolina Emergency Management Division (SCEMD), Aiken,

  18. Ozone-forming potential of a series of oxygenated organic compounds

    SciTech Connect (OSTI)

    Japar, S.M.; Wallington, T.J.; Rudy, S.J.; Chang, Tai Y. )

    1991-03-01

    An incremental reactivity approach has been used to assess the relative ozone-forming potentials of various important oxygenated fuels/fuel additives, i.e., tert-butyl alcohol (TBA), dimethyl ether (DME), diethyl ether (DEE), methyl tert-butyl ether (MTBE), and ethyl tert-butyl ether (ETBE), in a variety of environments. Calculations were performed using a single-cell trajectory model, combined with the Lurmann-Carter-Coyner chemical mechanism, with (NMOC)/(NO{sub x}) ratios ranging from 4 to 20. This work provides the first quantitative assessment of the air quality impact of release of these important oxygenated compounds. ETBE and DEE are the two most reactive compounds on a per carbon equivalent basis, while TBA is the least reactive species. At a (NMOC)/(NO{sub x}) ratio of 8, which is generally typical of polluted urban areas in the United States, TBA, DME, MTBE, and ETBE all have incremental reactivities less than or equal to that of the urban NMHC mix. Thus, use of these additives in fuels may have a beneficial impact on urban ozone levels.

  19. Synthesis and crystal structure of NaNb{sub 2}AsO{sub 8}

    SciTech Connect (OSTI)

    Harrison, W.T.A.; Liang, C.S.; Stucky, G.D.; Nenoff, T.M.

    1994-12-01

    The high-temperature/high-pressure hydrothermal synthesis and X-ray single crystal structure of NaNb{sub 2}AsO{sub 8} are reported. The title compound contains a three-dimensional network of NbO{sub 6}, NbO{sub 5}, and AsO{sub 4} groups, enclosing one-dimensional channels containing seven-coordinate guest sodium cations. UV/visible measurements on NaNb{sub 2}AsO{sub 8} indicate two distinct absorption features at {approximately}285 and {approximately} 360 nm. Crystal data for NaNb{sub 2}AsO{sub 8}:M{sub r} = 410.79, monoclinic, P2{sub 1}/n(No.14), a = 4.8970(6) {angstrom}, b = 8.516(2) {angstrom}, c = 15.075(3) {angstrom}, {beta} = 98.971(6){degrees}, V = 620.98 {angstrom}{sup 3}, Z = 4, R = 5.31%, R{sub w} = 5.15%, 2121 observed reflections (I > 3{sigma}(I)).

  20. Computational observation of enhanced solvation of the hydroxyl radical with increased NaCl concentration

    SciTech Connect (OSTI)

    Wick, Collin D.; Dang, Liem X.

    2006-05-11

    Classical molecular dynamics simulations with many-body potentials were carried out to quantitatively determine the effect of NaCl salt concentration on the aqueous solvation and surface concentration of hydroxyl radicals. The potential of mean force technique was used to track the incremental free energy of the hydroxyl radical from the vapor, crossing the air-water interface into the aqueous bulk. Results showed increased NaCl salt concentration significantly enhanced hydroxyl radical solvation, which should significantly increase its accommodation on water droplets. This has been experimentally observed for ozone aqueous accommodation with increased NaI concentration, but to our knowledge, no experimental study has probed this for hydroxyl radicals. The origin for this effect was found to be very favorable hydroxyl radical-chloride ion interactions, being stronger than for water-chloride. This work was performed at Pacific Northwest National Laboratory (PNNL) under the auspices of the Division of Chemical Sciences, Office of Basic Energy Sciences, U.S. Department of Energy. Battelle operates PNNL for the Department of Energy.

  1. Evaluation of aqueous Na{sup +}/Cs{sup +} separation by electrodialysis

    SciTech Connect (OSTI)

    Buehler, M.F.; Lawrence, W.E.; Norton, J.D.

    1993-12-01

    In support of the Hanford Site cleanup, electrodialysis is being investigated as a method to separate aqueous sodium (Na{sup +}) and cesium (Cs{sup +}) ions. The approach has many advantages over existing separation technologies; in particular, electrodialysis creates little secondary waste while producing usable acid and base streams. The fundamentals of electrodialysis are presented in this report to provide a foundation for interpreting experimental data. A flat-plate laboratory-scale apparatus was used to determine the feasibility of separating Na{sup +}/Cs{sup +} mixtures by electrodialysis. The results showed that Cs{sup +} is preferentially separated over Na{sup +} by a factor of 2 to 3 using a Nafion{reg_sign} 417 cationic membrane. The separation is relatively insensitive to solution ionic strength and flow-rate variations. The current efficiency of the separation ranges from 0.60 to 0.65 depending on the applied voltage. The laboratory-scale system was characterized by dimensional analysis, which demonstrated that the process could be scaled up to a size attractive for the volume of waste at the Hanford Site. Preliminary experiments on a bench-scale system were also conducted. The initial results showed that the current-voltage response of the laboratory- and the bench-scale unit is identical.

  2. Effects of dilute aqueous NaCl solution on caffeine aggregation

    SciTech Connect (OSTI)

    Sharma, Bhanita; Paul, Sandip

    2013-11-21

    The effect of salt concentration on association properties of caffeine molecule was investigated by employing molecular dynamics simulations in isothermal-isobaric ensemble of eight caffeine molecules in pure water and three different salt (NaCl) concentrations, at 300 K temperature and 1 atm pressure. The concentration of caffeine was taken almost at the solubility limit. With increasing salt concentration, we observe enhancement of first peak height and appearance of a second peak in the caffeine-caffeine distribution function. Furthermore, our calculated solvent accessible area values and cluster structure analyses suggest formation of higher order caffeine cluster on addition of salt. The calculated hydrogen bond properties reveal that there is a modest decrease in the average number of water-caffeine hydrogen bonds on addition of NaCl salt. Also observed are: (i) decrease in probability of salt contact ion pair as well as decrease in the solvent separated ion pair formation with increasing salt concentration, (ii) a modest second shell collapse in the water structure, and (iii) dehydration of hydrophobic atomic sites of caffeine on addition of NaCl.

  3. Synthesis and crystal structure of the palladium oxides NaPd{sub 3}O{sub 4}, Na{sub 2}PdO{sub 3} and K{sub 3}Pd{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Panin, Rodion V. Khasanova, Nellie R.; Abakumov, Artem M.; Antipov, Evgeny V.; Tendeloo, Gustaaf van; Schnelle, Walter

    2007-05-15

    NaPd{sub 3}O{sub 4}, Na{sub 2}PdO{sub 3} and K{sub 3}Pd{sub 2}O{sub 4} have been prepared by solid-state reaction of Na{sub 2}O{sub 2} or KO{sub 2} and PdO in sealed silica tubes. Crystal structures of the synthesized phases were refined by the Rietveld method from X-ray powder diffraction data. NaPd{sub 3}O{sub 4} (space group Pm3-barn, a=5.64979(6) A, Z=2) is isostructural to NaPt{sub 3}O{sub 4}. It consists of NaO{sub 8} cubes and PdO{sub 4} squares, corner linked into a three-dimensional framework where the planes of neighboring PdO{sub 4} squares are perpendicular to each other. Na{sub 2}PdO{sub 3} (space group C2/c, a=5.3857(1) A, b=9.3297(1) A, c=10.8136(2) A, {beta}=99.437(2){sup o}, Z=8) belongs to the Li{sub 2}RuO{sub 3}-structure type, being the layered variant of the NaCl structure, where the layers of octahedral interstices filled with Na{sup +} and Pd{sup 4+} cations alternate with Na{sub 3} layers along the c-axis. Na{sub 2}PdO{sub 3} exhibits a stacking disorder, detected by electron diffraction and Rietveld refinement. K{sub 3}Pd{sub 2}O{sub 4}, prepared for the first time, crystallizes in the orthorhombic space group Cmcm (a=6.1751(6) A, b=9.1772(12) A, c=11.3402(12) A, Z=4). Its structure is composed of planar PdO{sub 4} units connected via common edges to form parallel staggered PdO{sub 2} strips, where potassium atoms are located between them. Magnetic susceptibility measurements of K{sub 3}Pd{sub 2}O{sub 4} reveal a Curie-Weiss behavior in the temperature range above 80 K. - Graphical abstract: Na{sub 2}PdO{sub 3} (space group C2/c, a=5.3857(1) A, b=9.3297(1) A, c=10.8136(2) A, {beta}=99.437(2), Z=8) belongs to the Li{sub 2}RuO{sub 3}-structure type, being the layered variant of the NaCl structure, where the layers of octahedral interstices filled with Na{sup +} and Pd{sup 4+} cations (NaPd{sub 2}O{sub 6} slabs) alternate with Na{sub 3} layers along the c-axis.

  4. 20Na

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

  5. FY14 Annual Report for NA-22 Project LA14-FY14-027-PD2Jb "Developing...

    Office of Scientific and Technical Information (OSTI)

    Title: FY14 Annual Report for NA-22 Project LA14-FY14-027-PD2Jb "Developing Accurate Simulations of Correlated Data in Fission Events" Authors: Talou, Patrick 1 ; Vogt, Ramona ...

  6. FY14 Annual Report for NA-22 Project LA14-FY14-027-PD2Jb "Developing...

    Office of Scientific and Technical Information (OSTI)

    FY14 Annual Report for NA-22 Project LA14-FY14-027-PD2Jb "Developing Accurate Simulations ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  7. The electrochemical reactions of SnO2 with Li and Na: A study using thin films and mesoporous carbons

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

    Górka, Joanna; Baggetto, Loïc; Keum, Jong K.; Mahurin, Shannon M.; Mayes, Richard T.; Dai, Sheng; Veith, Gabriel M.

    2015-02-28

    In this work we have determined the room temperature electrochemical reactivity of SnO2 thin films and mesoporous carbons filled with SnO2 anodes with Na, and compare the results with those obtained during the reaction with Li. We show that SnO2 can reversibly deliver up to 6.2 Li/SnO2 whereas the reaction with Na is significantly limited. The initial discharge capacity is equivalent to less than 4 Na/SnO2, which is expected to correspond to the formation of 2 Na2O and Sn. This limited discharge capacity suggests the negative role of the formed Na2O matrix upon the reversible reaction of Sn clusters. Moreover,more » the reversible cycling of less than 1 Na/SnO2, despite the utilization of 6-7 nm SnO2 particles, is indicative of sluggish reaction kinetics. The origin of this significant capacity reduction is likely due to the formation of a diffusion limiting interface. Furthermore, there is a larger apparent hysteresis compared to Li. These results point to the need to design composite structures of SnO2 nanoparticles with suitable morphological and conductivity components.« less

  8. The electrochemical reactions of SnO2 with Li and Na: a study using thin films and mesoporous carbons

    SciTech Connect (OSTI)

    Mahurin, Shannon Mark; Mayes, Richard T; Dai, Sheng; Veith, Gabriel M

    2015-01-01

    In this work we have determined the room temperature electrochemical reactivity of SnO2 thin films and mesoporous carbons filled with SnO2 anodes with Na, and compare the results with those obtained during the reaction with Li. We show that SnO2 can reversibly deliver up to 6.2 Li/SnO2 whereas the reaction with Na is significantly limited. The initial discharge capacity is equivalent to less than 4 Na/SnO2, which is expected to correspond to the formation of 2 Na2O and Sn. This limited discharge capacity suggests the negative role of the formed Na2O matrix upon the reversible reaction of Sn clusters. Moreover, the reversible cycling of less than 1 Na/SnO2, despite the utilization of 6-7 nm SnO2 particles, is indicative of sluggish reaction kinetics. The origin of this significant capacity reduction is likely due to the formation of a diffusion limiting interface. Furthermore, there is a larger apparent hysteresis compared to Li. These results point to the need to design composite structures of SnO2 nanoparticles with suitable morphological and conductivity components.

  9. NA-42 TI Shared Software Component Library FY2011 Final Report

    SciTech Connect (OSTI)

    Knudson, Christa K.; Rutz, Frederick C.; Dorow, Kevin E.

    2011-07-21

    The NA-42 TI program initiated an effort in FY2010 to standardize its software development efforts with the long term goal of migrating toward a software management approach that will allow for the sharing and reuse of code developed within the TI program, improve integration, ensure a level of software documentation, and reduce development costs. The Pacific Northwest National Laboratory (PNNL) has been tasked with two activities that support this mission. PNNL has been tasked with the identification, selection, and implementation of a Shared Software Component Library. The intent of the library is to provide a common repository that is accessible by all authorized NA-42 software development teams. The repository facilitates software reuse through a searchable and easy to use web based interface. As software is submitted to the repository, the component registration process captures meta-data and provides version control for compiled libraries, documentation, and source code. This meta-data is then available for retrieval and review as part of library search results. In FY2010, PNNL and staff from the Remote Sensing Laboratory (RSL) teamed up to develop a software application with the goal of replacing the aging Aerial Measuring System (AMS). The application under development includes an Advanced Visualization and Integration of Data (AVID) framework and associated AMS modules. Throughout development, PNNL and RSL have utilized a common AMS code repository for collaborative code development. The AMS repository is hosted by PNNL, is restricted to the project development team, is accessed via two different geographic locations and continues to be used. The knowledge gained from the collaboration and hosting of this repository in conjunction with PNNL software development and systems engineering capabilities were used in the selection of a package to be used in the implementation of the software component library on behalf of NA-42 TI. The second task managed by PNNL

  10. Status of Irradiation Tests of Dilute Uranium Alloys in NaK-Containing Stainless Steel Capsules

    SciTech Connect (OSTI)

    McDonell, W.R.

    2001-03-26

    To extend experience with uranium metal fuels to the high exposures required for power reactor operation, the Savannah River Laboratory has conducted over several years a series of irradiation tests of small uranium specimens of various alloy compositions in NaK-containing stainless steel capsules. These tests were designed specifically to establish the limits on exposure that could be reached during irradiation of the alloys at various temperatures without swelling and to determine the metallurgical factors that promoted the stability of the alloys. This paper discusses those test results.

  11. NA-ASC-500-13 Issue 26 ASC eNews Quarterly Newsletter

    National Nuclear Security Administration (NNSA)

    NA-ASC-500-13 Issue 26 ASC eNews Quarterly Newsletter December 2013 2 shutdown. But the two-year budget agreement is not an appropriation, so we must await final appropriations for both FY14 and FY15. The President also signed the National Defense Authorization Act into law, which directs NNSA to develop and carry out a plan to incorporate exascale computing in the Stockpile Stewardship Program. This is not an exascale program, but recognition that stockpile stewardship requires exascale

  12. Dave Turner NOAA / Na.onal Severe Storms Laboratory ARM Summer Workshop

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

    Dave Turner NOAA / Na.onal Severe Storms Laboratory ARM Summer Workshop University of Oklahoma 15-24 July 2015 My Goal I don't want passive remote sensing be this! Important for Remote Sensing Important for Earth's Energy Balance My talk O O Oxygen N N Nitrogen O C Carbon Monoxide O O C Carbon Dioxide N N O Nitrous Oxide O H H Water O O O Ozone H C H H H Methane No (magnetic dipole) Yes No No Yes Yes Yes Yes Molecule Structure Permanent Electirc Dipole Moment? linear linear linear linear linear

  13. Magnetoelastic Coupling and Symmetry Breaking in the Frustrated Antiferromagnet {alpha}-NaMnO{sub 2}

    SciTech Connect (OSTI)

    Giot, Maud; Chapon, Laurent C.; Radaelli, Paolo G.; Androulakis, John; Lappas, Alexandros; Green, Mark A.

    2007-12-14

    The magnetic and crystal structures of the {alpha}-NaMnO{sub 2} have been determined by high-resolution neutron powder diffraction. The system maps out a frustrated triangular spin lattice with anisotropic interactions that displays two-dimensional spin correlations below 200 K. Magnetic frustration is lifted through magneto-elastic coupling, evidenced by strong anisotropic broadening of the diffraction profiles at high temperature and ultimately by a structural phase transition at 45 K. In this low-temperature regime a three-dimensional antiferromagnetic state is observed with a propagation vector k=((1/2),(1/2),0)

  14. Honeywell FM&T, LLC Contract No. DE-NA0000622

    National Nuclear Security Administration (NNSA)

    FM&T, LLC Contract No. DE-NA0000622 Modification No. 016 Page 2 of 10 1. Part II - Contract Clauses. The following Section I clause is revised and replaced in its entirety as follows: I-11 52.204-4 PRINTED OR COPIED DOUBLE-SIDED ON POSTCONSUMER FIBER CONTENT PAPER (MAY 2011) (a) Definitions. As used in this clause- "Postconsumer fiber" means- (1) Paper, paperboard, and fibrous materials from retail stores, office buildings, homes, and so forth, after they have passed through their

  15. Deetherification process

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A.

    1985-01-01

    Ethers such as isobutyl tertiary butyl ether are dissociated into their component alcohols and isolefins by heat stabilized catalyst compositions prepared from nuclear sulfonic acid, for example, macroporous crosslinked polyvinyl aromatic compounds containing sulfonic acid groups are neutralized with a metal of Al, Fe, Zn, Cu, Ni, ions or mixtures and alkali, alkaline earth metals or ammonium ions by contacting the resin containing the sulfonic acid with aqueous solutions of the metals salts and alkali, alkaline earth metal or ammonium salts. The catalysts have at least 50% of the sulfonic acid groups neutralized with metal ions and the balance of the sulfonic acid groups neutralized with alkali, alkaline earth ions or ammonium ions.

  16. Deetherification process

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1985-11-05

    Ethers such as isobutyl tertiary butyl ether are dissociated into their component alcohols and isoolefins by heat stabilized catalyst compositions prepared from nuclear sulfonic acid, for example, macroporous crosslinked polyvinyl aromatic compounds containing sulfonic acid groups are neutralized with a metal of Al, Fe, Zn, Cu, Ni, ions or mixtures and alkali, alkaline earth metals or ammonium ions by contacting the resin containing the sulfonic acid with aqueous solutions of the metals salts and alkali, alkaline earth metal or ammonium salts. The catalysts have at least 50% of the sulfonic acid groups neutralized with metal ions and the balance of the sulfonic acid groups neutralized with alkali, alkaline earth ions or ammonium ions.

  17. Development of high-performance Na/NiCl{sub 2} cell

    SciTech Connect (OSTI)

    Redey, L.: Prakash, J.; Vissers, D.R.; Myles, K.M.

    1992-07-01

    The performance of the Ni/NiCl{sub 2} positive electrode for the Na/NiCl{sub 2} battery has been significantly improved by lowering the impedance and increasing the usable capacity through the use of chemical additives and a tailored electrode morphology. The improved electrode has excellent performance even below 200{degrees}C and can be recharged within one hour. The performance of this new electrode was measured by a conventional galvanostatic method and by a newly developed ``powerdynamic`` method. These measurements were used to project the performance of 40 to 60-kWh batteries built with this new electrode combined with already highly developed sodium/{beta} -- alumina negative electrode. These calculated results yielded a specific power of 150--400 W/kg and a specific energy of 110--200 Wh/kg for batteries with single-tube and bipolar cell designs. This high performance, along with the high cell voltage, mid-temperature operation, fast recharge capability, and short-circuited failure mode of the electrode couple, makes the NA/NiCl{sub 2} battery attractive for electric vehicle applications.

  18. Development of high-performance Na/NiCl sub 2 cell

    SciTech Connect (OSTI)

    Redey, L.: Prakash, J.; Vissers, D.R.; Myles, K.M.

    1992-01-01

    The performance of the Ni/NiCl{sub 2} positive electrode for the Na/NiCl{sub 2} battery has been significantly improved by lowering the impedance and increasing the usable capacity through the use of chemical additives and a tailored electrode morphology. The improved electrode has excellent performance even below 200{degrees}C and can be recharged within one hour. The performance of this new electrode was measured by a conventional galvanostatic method and by a newly developed powerdynamic'' method. These measurements were used to project the performance of 40 to 60-kWh batteries built with this new electrode combined with already highly developed sodium/{beta} -- alumina negative electrode. These calculated results yielded a specific power of 150--400 W/kg and a specific energy of 110--200 Wh/kg for batteries with single-tube and bipolar cell designs. This high performance, along with the high cell voltage, mid-temperature operation, fast recharge capability, and short-circuited failure mode of the electrode couple, makes the NA/NiCl{sub 2} battery attractive for electric vehicle applications.

  19. Electronic Reconstruction through the Structural and Magnetic Transitions in Detwinned NaFeAs

    SciTech Connect (OSTI)

    Yi, M.; Lu, D.H.; Moore, R.G.; Kihou, K; Lee, C-H; Iyo, A.; Eisaki, H.; Yoshida, T; Fujimori, A; Shen, Z-X

    2012-05-25

    We use angle-resolved photoemission spectroscopy to study twinned and detwinned iron pnictide compound NaFeAs. Distinct signatures of electronic reconstruction are observed to occur at the structural (T{sub S}) and magnetic (T{sub SDW}) transitions. At T{sub S}, C{sub 4} rotational symmetry is broken in the form of an anisotropic shift of the orthogonal d{sub xz} and d{sub yz} bands. The magnitude of this orbital anisotropy rapidly develops to near completion upon approaching T{sub SDW}, at which temperature band folding occurs via the antiferromagnetic ordering wave vector. Interestingly, the anisotropic band shift onsetting at T{sub S} develops in such a way to enhance the nesting conditions in the C{sub 2} symmetric state, hence is intimately correlated with the long range collinear AFM order. Furthermore, the similar behaviors of the electronic reconstruction in NaFeAs and Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} suggests that this rapid development of large orbital anisotropy between T{sub S} and T{sub SDW} is likely a general feature of the electronic nematic phase in the iron pnictides, and the associated orbital fluctuations may play an important role in determining the ground state properties.

  20. Characterization of Na+- beta-Zeolite Supported Pd and Pd Ag Bimetallic Catalysts using EXAFS, TEM and Flow Reactor

    SciTech Connect (OSTI)

    Huang,W.; Lobo, R.; Chen, J.

    2008-01-01

    Flow reactor studies of the selective hydrogenation of acetylene in the presence of ethylene have been performed on Na+ exchanged {beta}-zeolite supported Pd, Ag and PdAg catalysts, as an extension of our previous batch reactor studies [W. Huang, J.R. McCormick, R.F. Lobo, J.G. Chen, J. Catal. 246 (2007) 40-51]. Results from flow reactor studies show that the PdAg/Na+-{beta}-zeolite bimetallic catalyst has lower activity than Pd/Na+-{beta}-zeolite monometallic catalyst, while Ag/Na+-{beta}-zeolite does not show any activity for acetylene hydrogenation. However, the selectivity for the PdAg bimetallic catalyst is much higher than that for either the Pd catalyst or Ag catalyst. The selectivity to byproduct (ethane) is greatly inhibited on the PdAg bimetallic catalyst as well. The results from the current flow reactor studies confirmed the pervious results from batch reactor studies [W. Huang, J.R. McCormick, R.F. Lobo, J.G. Chen, J. Catal. 246 (2007) 40-51]. In addition, we used transmission electron microscope (TEM), extended X-ray absorption fine structure (EXAFS), and FTIR of CO adsorption to confirm the formation of Pd-Ag bimetallic alloy in the PdAg/Na+-{beta}-zeolite catalyst.

  1. Structural investigation and luminescence of nanocrystalline lanthanide doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3}

    SciTech Connect (OSTI)

    Pin, Sonia; Piccinelli, Fabio; Upendra Kumar, Kagola; Enzo, Stefano; Ghigna, Paolo; Cannas, Carla; Musinu, Anna; Mariotto, Gino; Bettinelli, Marco; Speghini, Adolfo

    2012-12-15

    Nd{sup 3+} and Eu{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanostructured multiferroics (nanoparticles or nanorods) were prepared by a sol-gel route. X-Ray powder diffraction results evidence that the sodium and mixed sodium-potassium niobates show orthorhombic (Pmc2{sub 1} space group), and monoclinic structure (Pm space group), respectively, confirmed by the Raman spectra. The local structure around the trivalent lanthanides was investigated with Extended X-ray Absorption Fine Structure spectroscopy at the Ln-K edge and luminescence spectroscopy. The Ln{sup 3+} ions enter the structure by substituting the alkali metals, with a 12-fold oxygen coordination, and inducing a large amount of static disorder. The visible emission bands of the Eu{sup 3+} ions indicate that multiple sites exist for the lanthanide ions, in agreement with the EXAFS results showing the largest amount of static disorder in these samples. A possible indication of clustering of oxygen vacancies around the Ln{sub Na} Double-Prime defect is obtained by VBS calculations. - Graphical Abstract: Ln{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanoparticles or nanorods can be prepared by a simple sol-gel procedure. The synergy of X-ray diffraction, EXAFS and luminescence spectroscopy gives important information on the Ln{sup 3+} local environment. Highlights: Black-Right-Pointing-Pointer Nd{sup 3+} and Eu{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanoparticles or nanorods are prepared by sol-gel. Black-Right-Pointing-Pointer EXAFS indicates that the Ln{sup 3+} ions substitutes the Na{sup +} and K{sup +} ions, inducing a large amount of static disorder. Black-Right-Pointing-Pointer The visible emission bands of the Eu{sup 3+} ions confirm that multiple sites exist for the lanthanide ions.

  2. Simulation of energy absorption spectrum in NaI crystal detector for multiple gamma energy using Monte Carlo method

    SciTech Connect (OSTI)

    Wirawan, Rahadi; Waris, Abdul; Djamal, Mitra; Handayani, Gunawan

    2015-04-16

    The spectrum of gamma energy absorption in the NaI crystal (scintillation detector) is the interaction result of gamma photon with NaI crystal, and it’s associated with the photon gamma energy incoming to the detector. Through a simulation approach, we can perform an early observation of gamma energy absorption spectrum in a scintillator crystal detector (NaI) before the experiment conducted. In this paper, we present a simulation model result of gamma energy absorption spectrum for energy 100-700 keV (i.e. 297 keV, 400 keV and 662 keV). This simulation developed based on the concept of photon beam point source distribution and photon cross section interaction with the Monte Carlo method. Our computational code has been successfully predicting the multiple energy peaks absorption spectrum, which derived from multiple photon energy sources.

  3. Coupled Nd and B' spin ordering in the double perovskites Nd2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Bugaris, Dan; Yeon, Jeongho; Dela Cruz, Clarina R; Zur Loye, Hans-Conrad; Nagler, Stephen E

    2013-01-01

    We present a neutron powder diffraction study of the monoclinic double perovskite systems Nd$_2$NaB$'$O$_6$ (B$'$~$=$~Ru, Os), with magnetic atoms occupying both the A and B$'$ sites. Our measurements reveal coupled spin ordering between the Nd and B$'$ atoms with magnetic transition temperatures of 14~K for Nd$_2$NaRuO$_6$ and 16~K for Nd$_2$NaOsO$_6$. There is a Type I antiferromagnetic structure associated with the Ru and Os sublattices, with the ferromagnetic planes stacked along the c-axis and [110] direction respectively, while the Nd sublattices exhibit complex, canted antiferromagnetism with different spin arrangements in each system.

  4. Persistent modification of Na{sub v}1.9 following chronic exposure to insecticides and pyridostigmine bromide

    SciTech Connect (OSTI)

    Nutter, Thomas J. Cooper, Brian Y.

    2014-06-15

    Many veterans of the 1991 Gulf War (GW) returned from that conflict with a widespread chronic pain affecting deep tissues. Recently, we have shown that a 60 day exposure to the insecticides permethrin, chlorpyrifos, and pyridostigmine bromide (NTPB) had little influence on nociceptor action potential forming Na{sub v}1.8, but increased K{sub v}7 mediated inhibitory currents 8 weeks after treatment. Using the same exposure regimen, we used whole cell patch methods to examine whether the influences of NTPB could be observed on Na{sub v}1.9 expressed in muscle and vascular nociceptors. During a 60 day exposure to NTPB, rats exhibited lowered muscle pain thresholds and increased rest periods, but these measures subsequently returned to normal levels. Eight and 12 weeks after treatments ceased, DRG neurons were excised from the sensory ganglia. Whole cell patch studies revealed little change in voltage dependent activation and deactivation of Na{sub v}1.9, but significant increases in the amplitude of Na{sub v}1.9 were observed 8 weeks after exposure. Cellular studies, at the 8 week delay, revealed that NTPB also significantly prolonged action potential duration and afterhyperpolarization (22 °C). Acute application of permethrin (10 μM) also increased the amplitude of Na{sub v}1.9 in skin, muscle and vascular nociceptors. In conclusion, chronic exposure to Gulf War agents produced long term changes in the amplitude of Na{sub v}1.9 expressed in muscle and vascular nociceptors. The reported increases in K{sub v}7 amplitude may have been an adaptive response to increased Na{sub v}1.9, and effectively suppressed behavioral pain measures in the post treatment period. Factors that alter the balance between Na{sub v}1.9 and K{sub v}7 could release spontaneous discharge and produce chronic deep tissue pain. - Highlights: • Rats were treated 60 days with permethrin, chlorpyrifos and pyridostigmine bromide. • 8 weeks after treatments, Nav1.9 activation and deactivation were

  5. Static and dynamic polarizabilities of Na{sup -} within a variationally stable coupled-channel hyperspherical method

    SciTech Connect (OSTI)

    Masili, Mauro; Groote, J.J. de

    2004-11-01

    Using a model potential representation combined with a variationally stable method, we present a precise calculation of the electric dipole polarizabilities of the sodium negative ion (Na{sup -}). The effective two-electron eigensolutions for Na{sup -} are obtained from a hyperspherical coupled-channel calculation. This approach allows efficient error control and insight into the system's properties through one-dimensional potential curves. Our result of 1018.3 a.u. for the static dipole polarizability is in agreement with previous calculations and supports our results for the dynamic polarizability, which has scarcely been investigated hitherto.

  6. Thermochemical generation of hydrogen and oxygen from water. [NaMnO/sub 2/ and TiO/sub 2/

    DOE Patents [OSTI]

    Robinson, P.R.; Bamberger, C.E.

    1980-02-08

    A thermochemical cyclic process for the production of hydrogen exploits the reaction between sodium manganate (NaMnO/sub 2/) and titanium dioxide (TiO/sub 2/) to form sodium titanate (Na/sub 2/TiO/sub 3/), manganese (II) titanate (MnTiO/sub 3/) and oxygen. The titanate mixture is treated with sodium hydroxide, in the presence of steam, to form sodium titanate, sodium manganate (III), water and hydrogen. The sodium titanate-manganate (III) mixture is treated with water to form sodium manganate (III), titanium dioxide and sodium hydroxide. Sodium manganate (III) and titanium dioxide are recycled following dissolution of sodium hydroxide in water.

  7. Total Crude Oil and Petroleum Products Exports

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

    Product: Total Crude Oil and Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane/Ethylene Propane/Propylene Normal Butane/Butylene Isobutane/Isobutylene Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Biomass-Based Diesel Unfinished Oils Naphthas and Lighter Kerosene and

  8. Total Crude Oil and Petroleum Products Imports by Area of Entry

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

    Product: Total Crude Oil and Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane Ethylene Propane Propylene Normal Butane Butylene Isobutane Isobutylene Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Biomass-Based Diesel Fuel Other Renewable Diesel Fuel Other Renewable

  9. chemicals | netl.doe.gov

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

    chemicals Overview Key end products from coal gasification include hydrogen (and synthetic natural gas as a closely related product), electric power, fuels (mainly diesel fuel and gasoline), and fertilizer (which hinges on the large quantities of ammonia produced from gasification). In the context of liquid fuels, methanol can be added as an end product; in some locations (China in particular) methanol is a heavily-used fuel blending stock and feedstock for methyl tert-butyl ether (MTBE)

  10. MTEM Map

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

    MTBE Production Economics Tancred C. M. Lidderdale Contents 1. Summary 2. MTBE Production Costs 3. Relationship between price of MTBE and Reformulated Gasoline 4. Influence of Natural Gas Prices on the Gasoline Market 5. Regression Results 6. Data Sources 7. End Notes 1. Summary Last year the price of MTBE (methyl tertiary butyl ether) increased dramatically on two occasions (Figure 1) (see Data Sources at end of article.): 1. Between April and June 2000, the price (U.S. Gulf Coast waterborne

  11. MTBE Production Economics

    Gasoline and Diesel Fuel Update (EIA)

    MTBE Production Economics Tancred C. M. Lidderdale Contents 1. Summary 2. MTBE Production Costs 3. Relationship between price of MTBE and Reformulated Gasoline 4. Influence of Natural Gas Prices on the Gasoline Market 5. Regression Results 6. Data Sources 7. End Notes 1. Summary Last year the price of MTBE (methyl tertiary butyl ether) increased dramatically on two occasions (Figure 1) (see Data Sources at end of article.): 1. Between April and June 2000, the price (U.S. Gulf Coast waterborne

  12. MTBE, Oxygenates, and Motor Gasoline

    Gasoline and Diesel Fuel Update (EIA)

    MTBE, Oxygenates, and Motor Gasoline Contents * Introduction * Federal gasoline product quality regulations * What are oxygenates? * Who gets gasoline with oxygenates? * Which areas get MTBE? * How much has been invested in MTBE production capacity? * What does new Ethanol capacity cost? * What would an MTBE ban cost? * On-line information resources * Endnotes * Summary of revisions to this analysis Introduction The blending of methyl tertiary butyl ether (MTBE) into motor gasoline has increased

  13. Table Definitions, Sources, and Explanatory Notes

    Gasoline and Diesel Fuel Update (EIA)

    Imports & Exports Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether),

  14. Table Definitions, Sources, and Explanatory Notes

    Gasoline and Diesel Fuel Update (EIA)

    Inputs & Utilization Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether),

  15. Table Definitions, Sources, and Explanatory Notes

    Gasoline and Diesel Fuel Update (EIA)

    Total Stocks Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether), butane, and

  16. Table Definitions, Sources, and Explanatory Notes

    Gasoline and Diesel Fuel Update (EIA)

    Weekly Supply Estimates Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether),

  17. Refinery & Blenders Net Input of Crude Oil

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

    Product: Total Crude Oil & Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane Normal Butane Isobutane Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Hydrogen Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) All Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Renewable Diesel Fuel Other Renewable Fuels Other Hydrocarbons Unfinished Oils (net) Unfinished Oils,

  18. Update of Summer Reformulated Gasoline Supply Assessment for New York and Connecticut

    Reports and Publications (EIA)

    2004-01-01

    In October 2003, the Energy Information Administration (EIA) published a review of the status of the methyl tertiary butyl ether (MTBE) ban transition in New York (NY) and Connecticut (CT) that noted significant uncertainties in gasoline supply for those states for the summer of 2004. To obtain updated information, EIA spoke to major suppliers to the two states over the past several months as the petroleum industry began the switch from winter- to summer-grade gasoline.

  19. Nanocheckerboard modulations in (NaNd)(MgW)O[subscript 6

    SciTech Connect (OSTI)

    Licurse, Mark W.; Davies, Peter K.

    2010-10-22

    Data is presented for a complex structural and compositional modulation in the perovskite (NaNd)(MgW)O{sub 6}. This modulation creates a large 14a{sub p} x 14a{sub p} x 2a{sub p} supercell (a{sub p} {approx} 3.9 {angstrom} is the lattice parameter of the cubic perovskite aristotype) containing ordered regions with doubled (110) d-spacings in the a-b plane separated by two-dimensional periodic antiphase boundaries and accompanied by a nanocheckerboard pattern. Faint periodic modulations in Z-contrast images suggest an associated periodic variation in composition. The presence of a sodium rich impurity implies the composition of the stable perovskite is nonstoichiometric.

  20. Kinetic Monte Carlo simulations of scintillation processes in NaI(Tl)

    SciTech Connect (OSTI)

    Kerisit, Sebastien N.; Wang, Zhiguo; Williams, Richard; Grim, Joel; Gao, Fei

    2014-04-26

    Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this work to simulate the kinetics of scintillation for a range of temperatures and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.

  1. Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations

    SciTech Connect (OSTI)

    Mester, Zoltan; Panagiotopoulos, Athanassios Z.

    2015-01-28

    The mean ionic activity coefficients of aqueous NaCl solutions of varying concentrations at 298.15 K and 1 bar have been obtained from molecular dynamics simulations by gradually turning on the interactions of an ion pair inserted into the solution. Several common non-polarizable water and ion models have been used in the simulations. Gibbs-Duhem equation calculations of the thermodynamic activity of water are used to confirm the thermodynamic consistency of the mean ionic activity coefficients. While the majority of model combinations predict the correct trends in mean ionic activity coefficients, they overestimate their values at high salt concentrations. The solubility predictions also suffer from inaccuracies, with all models underpredicting the experimental values, some by large factors. These results point to the need for further ion and water model development.

  2. Magnetically Driven Metal-Insulator Transition in NaOsO3

    SciTech Connect (OSTI)

    Calder, Stuart A [ORNL; Christianson, Andrew D [ORNL; Lumsden, Mark D [ORNL; Lang, Jonathan [Argonne National Laboratory (ANL); Stone, Matthew B [ORNL; McMorrow, D. F. [University College, London; Garlea, Vasile O [ORNL; Kim, Jong-Woo [Argonne National Laboratory (ANL); Schlueter, J. A. [Argonne National Laboratory (ANL); Shi, Y. G. [Chinese Academy of Sciences; Yamaura, K. [National Institute for Materials Science, Tsukuba, Japan; Sun, Y. S. [MANA; Tsujimoto, Y. [Kyoto University, Japan

    2012-01-01

    The metal-insulator transition (MIT) is one of the most dramatic manifestations of electron correlations in materials. Various mechanisms producing MITs have been extensively considered, including the Mott (electron localization via Coulomb repulsion), Anderson (localization via disorder), and Peierls (local- ization via distortion of a periodic one-dimensional lattice) mechanisms. One additional route to a MIT proposed by Slater, in which long-range magnetic order in a three dimensional system drives the MIT, has received relatively little attention. Using neutron and x-ray scattering we show that the MIT in NaOsO3 is coincident with the onset of long-range commensurate three dimensional magnetic order. While candidate materials have been suggested, our experimental methodology allows the first definitive demonstration of the long predicted Slater MIT.

  3. Total reflection infrared spectroscopy of water-ice and frozen aqueous NaCl solutions

    SciTech Connect (OSTI)

    Walker, Rachel L.; Searles, Keith; Willard, Jesse A.; Michelsen, Rebecca R. H., E-mail: RMichelsen@rmc.edu [Department of Chemistry, Randolph-Macon College, P.O. Box 5005, Ashland, Virginia 23005 (United States)] [Department of Chemistry, Randolph-Macon College, P.O. Box 5005, Ashland, Virginia 23005 (United States)

    2013-12-28

    Liquid-like and liquid water at and near the surface of water-ice and frozen aqueous sodium chloride films were observed using attenuated total reflection infrared spectroscopy (ATR-IR). The concentration of NaCl ranged from 0.0001 to 0.01 M and the temperature varied from the melting point of water down to 256 K. The amount of liquid brine at the interface of the frozen films with the germanium ATR crystal increased with salt concentration and temperature. Experimental spectra are compared to reflection spectra calculated for a simplified morphology of a uniform liquid layer between the germanium crystal and the frozen film. This morphology allows for the amount of liquid observed in an experimental spectrum to be converted to the thickness of a homogenous layer with an equivalent amount of liquid. These equivalent thickness ranges from a nanometer for water-ice at 260 K to 170 nm for 0.01 M NaCl close to the melting point. The amounts of brine observed are over an order of magnitude less than the total liquid predicted by equilibrium thermodynamic models, implying that the vast majority of the liquid fraction of frozen solutions may be found in internal inclusions, grain boundaries, and the like. Thus, the amount of liquid and the solutes dissolved in them that are available to react with atmospheric gases on the surfaces of snow and ice are not well described by thermodynamic equilibrium models which assume the liquid phase is located entirely at the surface.

  4. Microstructural and compositional change of NaOH-activated high calcium fly ash by incorporating Na-aluminate and co-existence of geopolymeric gel and C-S-H(I)

    SciTech Connect (OSTI)

    Oh, Jae Eun; Moon, Juhyuk; Oh, Sang-Gyun; Clark, Simon M.; Monteiro, Paulo J.M.

    2012-05-15

    This study explores the reaction products of alkali-activated Class C fly ash-based aluminosilicate samples by means of high-resolution synchrotron X-ray diffraction (HSXRD), scanning electron microscope (SEM), and compressive strength tests to investigate how the readily available aluminum affects the reaction. Class C fly ash-based aluminosilicate raw materials were prepared by incorporating Na-aluminate into the original fly ashes, then alkali-activated by 10 M NaOH solution. Incorporating Na-aluminate reduced the compressive strength of samples, with the reduction magnitude relatively constant regardless of length of curing period. The HSXRD provides evidence of the co-existence of C-S-H with geopolymeric gels and strongly suggests that the C-S-H formed in the current system is C-S-H(I). The back-scattered electron images suggest that the C-S-H(I) phase exists as small grains in a finely intermixed form with geopolymeric gels. Despite providing extra source of aluminum, adding Na-aluminate to the mixes did not decrease the Si/Al ratio of the geopolymeric gel.

  5. Ordered and disordered polymorphs of Na(Ni2/3Sb1/3)O?: Honeycomb-ordered cathodes for Na-ion batteries

    SciTech Connect (OSTI)

    Ma, Jeffrey; Wu, Lijun; Bo, Shou -Hang; Khalifah, Peter G.; Grey, Clare P.; Zhu, Yimei

    2015-04-14

    Na-ion batteries are appealing alternatives to Li-ion battery systems for large-scale energy storage applications in which elemental cost and abundance are important. Although it is difficult to find Na-ion batteries which achieve substantial specific capacities at voltages above 3 V (vs Na?/Na), the honeycomb-layered compound Na(Ni2/3Sb1/3)O? can deliver up to 130 mAh/g of capacity at voltages above 3 V with this capacity concentrated in plateaus at 3.27 and 3.64 V. Comprehensive crystallographic studies have been carried out in order to understand the role of disorder in this system which can be prepared in both disordered and ordered forms, depending on the synthesis conditions. The average structure of Na(Ni2/3Sb1/3)O? is always found to adopt an O3-type stacking sequence, though different structures for the disordered (R3m, #166, a = b = 3.06253(3) and c = 16.05192(7) ) and ordered variants (C2/m, #12, a = 5.30458(1) , b = 9.18432(1) , c = 5.62742(1) and ? = 108.2797(2)) are demonstrated through the combined Rietveld refinement of synchrotron X-ray and time-of-flight neutron powder diffraction data. However, pair distribution function studies find that the local structure of disordered Na(Ni2/3Sb1/3)O? is more correctly described using the honeycomb-ordered structural model, and solid state NMR studies confirm that the well-developed honeycomb ordering of Ni and Sb cations within the transition metal layers is indistinguishable from that of the ordered phase. The disorder is instead found to mainly occur perpendicular to the honeycomb layers with an observed coherence length of not much more than 1 nm seen in electron diffraction studies. When the Na environment is probed through Na solid state NMR, no evidence is found for prismatic Na environments, and a bulk diffraction analysis finds no evidence of conventional stacking

  6. Dehydrogenation links LPG to more octanes

    SciTech Connect (OSTI)

    Gussow, S.; Spence, D.C.; White, E.A.

    1980-01-01

    Air Products and Chemicals Inc.'s Houdry Catofin process, a new application of well-known Houdry catalytic dehydrogenation technology, is an adiabatic, fixed-bed, multireactor catalytic process which produces propylene, isobutylene, and mixed n-butylenes by dehydrogenation of the corresponding saturates. The process is very flexible in that propylene, isobutylene, and mixed n-butylenes can be produced either separately or simultaneously from the corresponding saturates. The process will be used to prepare purity propylene at a Morelos, Mex., plant, which is now in the engineering stage. Five variations of the procedure for producing propylene; methyl tert.-butyl ether; propylene and alkylate; methyl tert.-butyl ether and alkylate; and methyl tert.-butyl ether, alkylate, and 1-butylene are compared with respect to typical product yields, costs and values for process economics, the dehydrogenation route to the three products, manufacturing costs, the sensitivity of return on investment to feedstock costs, and the return on investment, which varies from a low of 11.5% for the third case to a high of 14.4% for the fourth case. The Catofin process is discussed.

  7. Post-Closure Groundwater Monitoring Plan for the 1324-N Surface Impoundment and 1324-NA Percolation Pond

    SciTech Connect (OSTI)

    Hartman, Mary J.

    2004-04-02

    The 1324-N Surface Impoundment and the 1324-NA Percolation Pond, located in the 100-N Area of the Hanford Site, are regulated under the Resource Consevation and Recovery Act (RCRA). Surface and underground features of the facilities have been removed and laboratory analyses showed that soil met the closure performance standards. These sites have been backfilled and revegetated.

  8. A new low-voltage plateau of Na₃V₂(PO₄)₃ as an anode for Na-ion batteries

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

    Jian, Zelang; Sun, Yang; Ji, Xiulei

    2015-04-04

    A low-voltage plateau at ~0.3 V is discovered during the deep sodiation of Na₃V₂(PO₄)₃ by combined computational and experimental studies. This new low-voltage plateau doubles the sodiation capacity of Na₃V₂(PO₄)₃, turning it into a promising anode for Na-ion batteries.

  9. Quadruple-layered perovskite (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13}

    SciTech Connect (OSTI)

    Kitada, A.; Tsujimoto, Y.; Yamamoto, T. [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Kobayashi, Y. [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Narumi, Y. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Institute for Materials Research, Tohoku University, Katahira 2-1-1, Sendai 980-8577 (Japan); Kindo, K. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Aczel, A.A.; Luke, G.M. [Department of Physics and Astronomy, McMaster University, Hamilton, Ontario, L8S 4M1 (Canada); Uemura, Y.J. [Department of Physics, Columbia University, New York, NY 10027 (United States); Kiuchi, Y.; Ueda, Y. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Yoshimura, K. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Ajiro, Y. [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Kageyama, H., E-mail: kage@scl.kyoto-u.ac.jp [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Institute for Integrated Cell-Material Sciences, Kyoto University, Sakyo, Kyoto 606-8501 (Japan); CREST, Japan Science and Technology Agency, Kawaguchi 332-0012 (Japan)

    2012-01-15

    We will present the synthesis, structure and magnetic properties of a new quadruple-layered perovskite (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13}. Through a topotactic ion-exchange reaction with CuCl{sub 2}, the precursor RbCa{sub 2}NaNb{sub 4}O{sub 13} presumably having an incoherent octahederal tliting changes into (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13} with a 2a{sub p} Multiplication-Sign 2a{sub p} Multiplication-Sign 2c{sub p} superstructure (tetragonal; a=7.73232(5) A, c=39.2156(4) A). The well-defined superstructure for the ion-exchanged product should be stabilized by the inserted CuCl{sub 4}O{sub 2} octahedral layers that firmly connect with neighboring perovskite layers. Magnetic studies show the absence of long-range magnetic ordering down to 2 K despite strong in-plane interactions. Aleksandrov Prime s group theory and Rietveld refinement of synchrotron X-ray diffraction data suggest the structure to be of I4/mmm space group with in-phase tilting along the a and b axes, a two-tilt system (++0). - Graphical Abstract: We present a quadruple-layered copper oxyhalide (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13} synthesized through a topotactic ion-exchange reaction of RbCa{sub 2}NaNb{sub 4}O{sub 13} with CuCl{sub 2}. The compound has a well-defined superstructure. Magnetic studies suggest the absence of magnetic order even at 2 K. Highlights: Black-Right-Pointing-Pointer (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13} was prepared by ion-exchange reaction of RbCa{sub 2}NaNb{sub 4}O{sub 13} with CuCl{sub 2}. Black-Right-Pointing-Pointer Compound has a 2a{sub p} Multiplication-Sign 2a{sub p} Multiplication-Sign 2c{sub p} superstructure (tetragonal; a=7.73 A, c=39.21 A). Black-Right-Pointing-Pointer Such a well-defined superstructure was not observed in the precursor compound. Black-Right-Pointing-Pointer Aleksandrov Prime s theory and Rietveld study suggest a (++0) octahedral tilting (I4/mmm). Black-Right-Pointing-Pointer Magnetic studies revealed the absence of magnetic order down to 2 K.

  10. Synthesis of dimethyl ether and alternative fuels in the liquid phase from coal-derived synthesis gas. Task 2.2: Definition of preferred catalyst system; Task 2.3: Process variable scans on the preferred catalyst system; Task 2.4: Life-test on the preferred catalyst system

    SciTech Connect (OSTI)

    Bhatt, B.L.

    1992-09-01

    As part of the DOE-sponsored contract for the Synthesis of Dimethyl Ether (DME) and Alternative Fuels in the Liquid Phase from Coal- Derived Syngas, the single-step, slurry phase DME synthesis process was developed. The development involved screening of catalyst systems, process variable studies, and catalyst life studies in two 300 ml stirred autoclaves. As a spin-off of the Liquid Phase Methanol (LPMEOH*) process, the new process significantly improves the syngas conversion efficiency of the LPMEOH process. This improvement can be achieved by replacing a portion of methanol catalyst with a dehydration catalyst in the reactor, resulting in the product methanol being converted to DME, thus avoiding the thermodynamic equilibrium constraint of the methanol reaction. Overall, this increases syngas conversion per-pass. The selectivity and productivity of DME and methanol are affected by the catalyst system employed as well as operating conditions. A preferred catalyst system, consisting of a physical mixture of a methanol catalyst and a gamma alumina, was identified. An improvement of about 50% in methanol equivalent productivity was achieved compared to the LPMEOH process. Results from the process variable study indicate that higher pressure and CO{sub 2} removal benefit the process significantly. Limited life studies performed on the preferred catalyst system suggest somewhat higher than expected deactivation rate for the methanol catalyst. Several DME/methanol mixtures were measured for their key properties as transportation fuels. With small amounts of DME added, significant improvements in both flash points and Reid Vapor Pressure (RVP) were observed over the corresponding values of methanol alone.

  11. Ordered and disordered polymorphs of Na(Ni2/3Sb1/3)O₂: Honeycomb-ordered cathodes for Na-ion batteries

    SciTech Connect (OSTI)

    Ma, Jeffrey; Wu, Lijun; Bo, Shou -Hang; Khalifah, Peter G.; Grey, Clare P.; Zhu, Yimei

    2015-04-14

    Na-ion batteries are appealing alternatives to Li-ion battery systems for large-scale energy storage applications in which elemental cost and abundance are important. Although it is difficult to find Na-ion batteries which achieve substantial specific capacities at voltages above 3 V (vs Na⁺/Na), the honeycomb-layered compound Na(Ni2/3Sb1/3)O₂ can deliver up to 130 mAh/g of capacity at voltages above 3 V with this capacity concentrated in plateaus at 3.27 and 3.64 V. Comprehensive crystallographic studies have been carried out in order to understand the role of disorder in this system which can be prepared in both “disordered” and “ordered” forms, depending on the synthesis conditions. The average structure of Na(Ni2/3Sb1/3)O₂ is always found to adopt an O3-type stacking sequence, though different structures for the disordered (R3¯m, #166, a = b = 3.06253(3) Å and c = 16.05192(7) Å) and ordered variants (C2/m, #12, a = 5.30458(1) Å, b = 9.18432(1) Å, c = 5.62742(1) Å and β = 108.2797(2)°) are demonstrated through the combined Rietveld refinement of synchrotron X-ray and time-of-flight neutron powder diffraction data. However, pair distribution function studies find that the local structure of disordered Na(Ni2/3Sb1/3)O₂ is more correctly described using the honeycomb-ordered structural model, and solid state NMR studies confirm that the well-developed honeycomb ordering of Ni and Sb cations within the transition metal layers is indistinguishable from that of the ordered phase. The disorder is instead found to mainly occur perpendicular to the honeycomb layers with an observed coherence length of not much more than 1 nm seen in electron diffraction studies. When the Na environment is probed through ²³Na solid state NMR, no evidence is found for prismatic Na environments, and a bulk diffraction analysis finds no evidence

  12. Influence of NaCl Concentrations on Coagulation, Temperature, and Electrical Conductivity Using a Perfusion Radiofrequency Ablation System: An Ex Vivo Experimental Study

    SciTech Connect (OSTI)

    Aube, Christophe Schmidt, Diethard; Brieger, Jens; Schenk, Martin; Kroeber, Stefan; Vielle, Bruno; Claussen, Claus D.; Goldberg, S. Nahum; Pereira, Philippe L.

    2007-02-15

    Purpose. To determine, by means of an ex vivo study, the effect of different NaCl concentrations on the extent of coagulation obtained during radiofrequency (RF) ablation performed using a digitally controlled perfusion device. Method. Twenty-eight RF ablations were performed with 40 W for 10 min using continuous NaCl infusion in fresh excised bovine liver. For perfusion, NaCl concentrations ranging from 0 (demineralized water) to 25% were used. Temperature, the amount of energy, and the dimensions of thermal-induced white coagulation were assessed for each ablation. These parameters were compared using the nonparametric Mann-Whitney test. Correlations were calculated according to the Spearman test. Results. RF ablation performed with 0.9% to 25% concentrations of NaCl produced a mean volume of coagulation of 30.7 {+-} 3.8 cm{sup 3}, with a mean short-axis diameter of 3.6 {+-} 0.2 cm. The mean amount of energy was 21,895 {+-} 1,674 W and the mean temperature was 85.4 {+-} 12.8 deg. C. Volume of coagulation, short-axis diameter, and amount of energy did not differ significantly among NaCl concentrations (p > 0.5). A correlation was found between the NaCl concentration and the short-axis diameter of coagulation (r = 0.64) and between the NaCl concentration and the mean temperature (r = 0.67), but not between the NaCl concentration and volume of coagulation. Conclusion. In an ex vivo model, continuous perfusion with high NaCl concentrations does not significantly improve the volume of thermal-induced coagulation. This may be because the use of a low-power generator cannot sufficiently exploit the potential advantage of better tissue conductivity provided by NaCl perfusion.

  13. Preparation and photocatalytic activity for water splitting of Pt-Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays

    SciTech Connect (OSTI)

    Liu, Jing; Liu, Jiawen; Li, Zhonghua

    2013-02-15

    Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays were prepared by hydrothermal method from Ta{sub 2}O{sub 5} nanotube arrays, obtained by anodization of Ta foils, in Na{sub 2}CO{sub 3} solution at 150 Degree-Sign C. The as-synthesized samples were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), UV-vis diffuse reflectance spectra (UV-DRS) and X-ray photoelectron spectroscopy (XPS). Analysis results show that pyrochlore structure Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays have been successfully fabricated. The diameters and lengths of Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays are 50 nm and 4 {mu}m, respectively. The photocatalytic hydrogen production activities of the as-synthesized Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays are highly dependent on the hydrothermal reaction time and Na{sub 2}CO{sub 3} concentration, optimized reaction parameters are obtained. To further improve the photocatalytic activity for hydrogen evolution, Pt loaded Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays are prepared by photochemical reduction method. The Pt loaded samples exhibit much higher activity for hydrogen evolution than pure Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays. Moreover, the photocatalytic hydrogen properties are rather stable. - Graphical abstract: Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays were synthesized by hydrothermal method using Ta{sub 2}O{sub 5} nanotube arrays as a precursor. The loaded Pt enhances the photocatalytic activity for water splitting of Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays. Highlights: Black-Right-Pointing-Pointer Novel Na{sub 2}Ta{sub 2}O{sub 6} nanotube array films with pyrochlore structure were synthesized. Black-Right-Pointing-Pointer Na{sub 2}Ta{sub 2}O{sub 6} nanotube arrays are active for H{sub 2} evolution from aqueous CH{sub 3}OH solution. Black-Right-Pointing-Pointer The effect of hydrothermal conditions on photocatalytic activity was investigated. Black-Right-Pointing-Pointer Pt loading can improve the

  14. Na9K16TI~25: A New Phase Containing Naked Icosahedral Cluster Fragments Ti99-

    SciTech Connect (OSTI)

    Li, Bin; Corbett, John D.

    2007-12-05

    The phase Na{sub 9}K{sub 16}Tl{sub 25.25(2)} was synthesized by fusion of the elements in sealed Ta containers followed by quenching and annealing at 250 C. The structure established by single crystal X-ray diffraction means (P6{sub 3}/m, Z = 2, a = 19.376(3) {angstrom}, c = 11.480(2) {angstrom}) features Tl{sub 9}{sup 9-} clusters. These are well separated by cations that bridge between, faces, edges, and vertices of the clusters; sodium appears to be essential in this role. This is the third compound known to contain Tl{sub 9} clusters, but here two of nine sites are partially occupied, which can be interpreted as a 70:30 mixture of Tl{sub 9} and Tl{sub 7} units in the same cavity. This Tl{sub 9} example also displays lower symmetry (C{sub s}) but requires the same 2n skeletal electrons. EHTB electronic structure calculations indicate that the Fermi level intersects a finite densities-of-states (DOS), and only some bonds are optimized at E{sub F}, giving some insight regarding the site of Tl deficiency. Direct geometric relationships are found among Tl{sub 13}, Tl{sub 9}, Tl{sub 7} and Tl{sub 5} clusters through systematic removal of vertices.

  15. Spin-lozenge thermodynamics and magnetic excitations in Na3RuO4

    SciTech Connect (OSTI)

    Haraldsen, Jason T; Stone, Matthew B; Lumsden, Mark D; Barnes, Ted {F E }; Jin, Rongying; Taylor, J. W.; Fernandez-Alonso, F

    2009-01-01

    We report inelastic and elastic neutron scattering, magnetic susceptibility, and heat capacity measurements of polycrystalline sodium ruthenate (Na3RuO4). Previous work suggests this material consists of isolated tetramers of S = 3/2 Ru5+ ions in a so-called lozenge configuration. Using a Heisenberg antiferromagnet Hamiltonian, we analytically determine the energy eigenstates for general spin S. From this model, the neutron scattering cross-sections for excitations associated with spin-3/2 tetramer configurations is determined. Comparison of magnetic susceptibility and inelastic neutron scattering results shows that the proposed lozenge model is not distinctly supported, but provides evidence that the system may be better described as a pair of non-interacting inequivalent dimers, i.e double dimers. However, the existence of long-range magnetic order below Tc ≈ 28 K immediately questions such a description. Although no evidence of the lozenge model is observed, future studies on single crystals may further clarify the appropriate magnetic Hamiltonian.

  16. Constrained Surface Complexation Modeling: Rutile in RbCl, NaCl, and NaCF3SO3 Media to 250 °C

    SciTech Connect (OSTI)

    Machesky, Michael L.; Předota, Milan; Ridley, Moira K.; Wesolowski, David J.

    2015-06-01

    In this paper, a comprehensive set of molecular-level results, primarily from classical molecular dynamics (CMD) simulations, are used to constrain CD-MUSIC surface complexation model (SCM) parameters describing rutile powder titrations conducted in RbCl, NaCl, and NaTr (Tr = triflate, CF3SO3) electrolyte media from 25 to 250 °C. Rb+ primarily occupies the innermost tetradentate binding site on the rutile (110) surface at all temperatures (25, 150, 250 °C) and negative charge conditions (-0.1 and -0.2 C/m2) probed via CMD simulations, reflecting the small hydration energy of this large, monovalent cation. Consequently, variable SCM parameters (Stern-layer capacitance values and intrinsic Rb+ binding constants) were adjusted relatively easily to satisfactorily match the CMD and titration data. The larger hydration energy of Na+ results in a more complex inner-sphere distribution, which shifts from bidentate to tetradentate binding with increasing negative charge and temperature, and this distribution was not matched well for both negative charge conditions, which may reflect limitations in the CMD and/or SCM approaches. Finally, in particular, the CMD axial density profiles for Rb+ and Na+ reveal that peak binding distances shift toward the surface with increasing negative charge, suggesting that the CD-MUSIC framework may be improved by incorporating CD or Stern-layer capacitance values that vary with charge.

  17. Treatment of EBR-I NaK mixed waste at Argonne National Laboratory and subsequent land disposal at the Idaho National Engineering and Environmental Laboratory.

    SciTech Connect (OSTI)

    Herrmann, S. D.; Buzzell, J. A.; Holzemer, M. J.

    1998-02-03

    Sodium/potassium (NaK) liquid metal coolant, contaminated with fission products from the core meltdown of Experimental Breeder Reactor I (EBR-I) and classified as a mixed waste, has been deactivated and converted to a contact-handled, low-level waste at Argonne's Sodium Component Maintenance Shop and land disposed at the Radioactive Waste Management Complex. Treatment of the EBR-I NaK involved converting the sodium and potassium to its respective hydroxide via reaction with air and water, followed by conversion to its respective carbonate via reaction with carbon dioxide. The resultant aqueous carbonate solution was solidified in 55-gallon drums. Challenges in the NaK treatment involved processing a mixed waste which was incompletely characterized and difficult to handle. The NaK was highly radioactive, i.e. up to 4.5 R/hr on contact with the mixed waste drums. In addition, the potential existed for plutonium and toxic characteristic metals to be present in the NaK, resultant from the location of the partial core meltdown of EBR-I in 1955. Moreover, the NaK was susceptible to degradation after more than 40 years of storage in unmonitored conditions. Such degradation raised the possibility of energetic exothermic reactions between the liquid NaK and its crust, which could have consisted of potassium superoxide as well as hydrated sodium/potassium hydroxides.

  18. The influence of field-free orientation on the predissociation dynamics of the NaI molecule

    SciTech Connect (OSTI)

    Zhao, Ze-Yu; Han, Yong-Chang, E-mail: ychan@dlut.edu.cn; Yu, Jie; Cong, Shu-Lin [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)] [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)

    2014-01-28

    The orientation and predissociation dynamics of the NaI molecule are studied by using a time-dependent wavepacket method. The NaI molecule is first pre-oriented by a single-cycle pulse (SCP) in terahertz (THz) region and then predissociated by a femtosecond pump pulse. The influence of the molecular field-free orientation on the predissociation dynamics is studied in detail. We calculate the radial and angular distributions, the molecular orientation degrees, and the time-dependent populations for both the ground and excited electronic states. It is found that the pre-orientation affects the angular distributions significantly, and that it has weak influence on the radial distributions. By varying the delay time between the THz SCP and the pump pulse, the angular distribution of the fragments from the predissociation can be manipulated.

  19. Measurement of the tradeoff between intrinsic emittance and quantum efficiency from a NaKSb photocathode near threshold

    SciTech Connect (OSTI)

    Maxson, Jared Cultrera, Luca; Gulliford, Colwyn; Bazarov, Ivan

    2015-06-08

    We measure the tradeoff between the quantum efficiency and intrinsic emittance from a NaKSb photocathode at three increasing wavelengths (635, 650, and 690 nm) at or below the energy of the bandgap plus the electron affinity, hν≤E{sub g}+E{sub a}. These measurements were performed using a high voltage dc gun for varied photocathode surface fields of 1.4−4.4 MV/m. Measurements of intrinsic emittance are performed using two different methods and were found to agree. At the longest wavelength available, 690 nm, the intrinsic emittance was 0.26 μm/mm-rms with a quantum efficiency of ∼10{sup −4}. The suitability of NaKSb emitting at threshold for various low emittance applications is discussed.

  20. NaREC Offshore and Drivetrain Test Facility Collaboration: Cooperative Research and Development Final Report, CRADA Number CRD-04-140

    SciTech Connect (OSTI)

    Musial, W.

    2014-08-01

    The National Renewable Energy Laboratory (NREL) and the National Renewable Energy Centre (NaREC) in the United Kingdom (UK) have a mutual interest in collaborating in the development of full-scale offshore wind energy and drivetrain testing facilities. NREL and NaREC will work together to share resources and experiences in the development of future wind energy test facilities. This Cooperative Research and Development Agreement (CRADA) includes sharing of test protocols, infrastructure cost data, test plans, pro forma contracting instruments, and safe operating strategies. Furthermore, NREL and NaREC will exchange staff for training and development purposes.

  1. Low-activation-energy conduction in polycrystalline. cap alpha. -Al/sub 2/O/sub 3/ doped with Si and Na

    SciTech Connect (OSTI)

    Lee, C.H.; Kroger, F.A.

    1985-02-01

    Polycrystalline Al/sub 2/O/sub 3/ containing a glassy aluminosilicate second phase displays a low-activation-energy conductivity when Na is present. The conductivity is ionic in nature at high oxygen pressure and electronic at low oxygen pressure and is attributed to the migration of Na/sup +/ ions and electrons through the second phase present at triple junctions. A smaller lowactivation-energy conductivity is found in the absence of sodium, but in that case the low-activation-energy branch has different properties. Al/sub 2/O/sub 3/:Na without silicon has no lowtemperature low-activation-energy branch.

  2. NNSA Corporate CPEP Process NNSA Honeywell FM&T PER NNSA/NA-00.2

    National Nuclear Security Administration (NNSA)

    Corporate CPEP Process NNSA Honeywell FM&T PER NNSA/NA-00.2 National Nuclear Security Administration FY 2013 PEP Honeywell FM&T Performance Evaluation Report Kansas City Field Office Kansas City Plant Performance Period: October 2012 - September 2013 December 20, 2013 Executive Summary Honeywell Federal Manufacturing & Technologies (FM&T) exceeded almost all FY13 performance targets during a year of significant organizational challenges including; transitioning to a new facility

  3. Development of Na/sup +/-dependent hexose transport in cultured renal epithelial cells (LLC-PK/sub 1/)

    SciTech Connect (OSTI)

    Weiss, E.R.; Amsler, K.; Dawson, W.D.; Cook, J.S.

    1984-01-01

    A number of factors were explored to analyze how they interact to yield the increasing transport capacity in differentiating cell populations. These factors include the number of functional transporters in the population, the distribution of these transporters among the individual cells, the Na/sup +/ chemical gradient, the transmembrane potential, the pathways and activities of these pathways for efflux of glucoside, and cell-cell coupling between accumulating and non-accumulating cells. 35 references, 9 figures, 2 tables. (ACR)

  4. The abnormal electrical and optical properties in Na and Ni codoped BiFeO{sub 3} nanoparticles

    SciTech Connect (OSTI)

    Xu, Xunling; Liu, Weifang E-mail: shouyu.wang@yahoo.com; Zhang, Hong; Guo, Minchen; Wu, Ping; Wang, Shouyu E-mail: shouyu.wang@yahoo.com; Gao, Ju; Rao, Guanghui

    2015-05-07

    Bi{sub 0.97}Na{sub 0.03}Fe{sub 1−x}Ni{sub x}O{sub 3} (x = 0, 0.005, 0.01, 0.015) nanoparticles are prepared via a sol-gel method. Weak ferromagnetism and exchange bias phenomenon without field cooling are observed in the samples. The oxygen vacancy concentration and leakage current density are increased with increasing the Ni content. However, with the increase of Ni content, the band gap of Bi{sub 0.97}Na{sub 0.03}Fe{sub 1−x}Ni{sub x}O{sub 3} nanoparticles first decreases and then increases. To explain the abnormal phenomenon, the interplay of oxygen vacancy donor and hole acceptor is analyzed and a phenomenological qualitative model based on the electronic energy band is proposed. Additionally, the threshold switching behavior appears in Bi{sub 0.97}Na{sub 0.03}Fe{sub 1−x}Ni{sub x}O{sub 3} samples with x = 0.01, 0.015 and the effect is qualitatively explained by introducing a conducting channel model based on the high-density mobile charges.

  5. Modeling the Interaction between Integrin-Binding Peptide (RGD) and Rutile Surface: The Effect of Na+ on Peptide Adsorption

    SciTech Connect (OSTI)

    Wu, Chunya; Skelton, Adam; Chen, Mingjun; Vlcek, Lukas; Cummings, Peter T

    2011-01-01

    The dynamics of a single tripeptide Arg-Gly-Asp (RGD) adsorbing onto negatively charged hydroxylated rutile (110) surface in aqueous solution was studied using molecular dynamics (MD) simulations. The results indicate that the adsorbed Na{sup +} ions play an important role in determining the binding geometry of RGD. With an initial 'horseshoe' configuration, the charged side groups (COO{sup -} and NH{sub 2}) of the peptide are able to interact with the surface through direct hydrogen bonds (H bonds) in the very early stage of adsorption. The Na{sup +} ions approach the positively charged Arg side chain, competing with the Arg side chain for adsorption to the negatively charged hydroxyl oxygen. In coordination with the structural adjustment of the peptide, the Arg residue is driven to detach from the rutile surface. In contrast, the Na+ ions in close proximity to the negatively charged Asp side chain contribute to the binding of the COO{sup -} group on the surface, helping the carboxyl oxygen not involved in COO{sup -}-surface H bonds to orientate toward the hydroxyl hydrogens. Once both carboxyl oxygens form enough H bonds with the hydroxyl hydrogens, the redundant ions move toward a more favorable adsorption site.

  6. Materials corrosion in molten LiF-NaF-KF eutectic salt under different reduction-oxidation conditions

    SciTech Connect (OSTI)

    Sellers, R. S.; Cheng, W. J.; Anderson, M. H.; Sridharan, K.; Wang, C. J.; Allen, T. R.

    2012-07-01

    Molten fluoride salts such as FLiNaK (LiF-NaF-KF: 46.5-11.5-42 mol %) have been proposed for use as secondary reactor coolants, media for transfer of high temperature process heat from nuclear reactors to chemical plants, and for concentrated solar power thermal energy storage. In molten fluoride salts, passive oxide films are chemically unstable, and corrosion is driven largely by the thermodynamically driven dissolution of alloying elements into the molten salt environment. Two alloys, Hastelloy{sup R} N and 316L stainless steel were exposed to molten FLiNaK salt in a 316L stainless steel crucible under argon cover gas for 1000 hours at 850 deg. C. Graphite was present in some of the crucibles with the goal of studying corrosion behavior of relevant reactor material combinations. In addition, a technique to reduce alloy corrosion through modification of the reduction-oxidation state was tested by the inclusion of zirconium to the system. Corrosion of 316L stainless steel was noted to occur primarily through surface depletion of chromium, an effect that was enhanced by the presence of graphite. Hastelloy{sup R} N experienced weight gain through electrochemical plating of corrosion products derived from the 316L stainless steel crucible. In the presence of zirconium, both alloys gained weight through plating of zirconium and as a result formed intermetallic layers. (authors)

  7. Hard carbon nanoparticles as high-capacity, high-stability anodic materials for Na-ion batteries

    SciTech Connect (OSTI)

    Xiao, Lifen; Cao, Yuliang; Henderson, Wesley A.; Sushko, Maria L.; Shao, Yuyan; Xiao, Jie; Wang, Wei; Engelhard, Mark H.; Nie, Zimin; Liu, Jun

    2016-01-01

    Hard carbon nanoparticles (HCNP) were synthesized by the pyrolysis of a polyaniline precursor. The measured Na+ cation diffusion coefficient (10-13-10-15cm2s-1) in the HCNP obtained at 1150 °C is two orders of magnitude lower than that of Li+ in graphite (10-10-13-15cm2s-1), indicating that reducing the carbon particle size is very important for improving electrochemical performance. These measurements also enable a clear visualization of the stepwise reaction phases and rate changes which occur throughout the insertion/extraction processes in HCNP, The electrochemical measurements also show that the nano-sized HCNP obtained at 1150 °C exhibited higher practical capacity at voltages lower than 1.2 V (vs. Na/Na⁺), as well as a prolonged cycling stability, which is attributed to an optimum spacing of 0.366 nm between the graphitic layers and the nano particular size resulting in a low-barrier Na+ cation insertion. These results suggest that HCNP is a very promising high-capacity/stability anode for low cost sodium-ion batteries (SIBs).

  8. An Air-Stable Na3SbS4 Superionic Conductor Prepared by a Rapid and Economic Synthetic Procedure

    SciTech Connect (OSTI)

    Wang, Hui; Chen, Yan; Hood, Zachary; Peng, Rui; Samuthira Pandian, Amaresh; Keum, Jong Kahk; Wu, Zili; An, Ke; Liang, Chengdu

    2016-01-01

    All-solid-state sodium batteries, using abundant sodium resources and solid electrolyte, hold much promise for safe, low cost, large-scale energy storage. To realize the practical applications of all solid Na-ion batteries at ambient temperature, the solid electrolytes are required to have high ionic conductivity, chemical stability, and ideally, easy preparation. Ceramic electrolytes show higher ionic conductivity than polymers, but they often require extremely stringent synthesis conditions, either high sintering temperature above 1000 C or long-time, low-energy ball milling. Herein, we report a new synthesis route for Na3SbS4, a novel Na superionic conductor that needs much lower processing temperature below 200 C and easy operation. This new solid electrolyte exhibits a remarkable ionic conductivity of 1.05 mS cm-1 at 25 C and is chemically stable under ambient atmosphere. This synthesis process provides unique insight into the current state-of-the-art solid electrolyte preparation and opens new possibilities for the design of similar materials.

  9. An Air-Stable Na3SbS4 Superionic Conductor Prepared by a Rapid and Economic Synthetic Procedure

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

    Wang, Hui; Chen, Yan; Hood, Zachary; Peng, Rui; Samuthira Pandian, Amaresh; Keum, Jong Kahk; Wu, Zili; An, Ke; Liang, Chengdu

    2016-01-01

    All-solid-state sodium batteries, using abundant sodium resources and solid electrolyte, hold much promise for safe, low cost, large-scale energy storage. To realize the practical applications of all solid Na-ion batteries at ambient temperature, the solid electrolytes are required to have high ionic conductivity, chemical stability, and ideally, easy preparation. Ceramic electrolytes show higher ionic conductivity than polymers, but they often require extremely stringent synthesis conditions, either high sintering temperature above 1000 C or long-time, low-energy ball milling. Herein, we report a new synthesis route for Na3SbS4, a novel Na superionic conductor that needs much lower processing temperature below 200 Cmore » and easy operation. This new solid electrolyte exhibits a remarkable ionic conductivity of 1.05 mS cm-1 at 25 C and is chemically stable under ambient atmosphere. This synthesis process provides unique insight into the current state-of-the-art solid electrolyte preparation and opens new possibilities for the design of similar materials.« less

  10. Flow Components in a NaK Test Loop Designed to Simulate Conditions in a Nuclear Surface Power Reactor

    SciTech Connect (OSTI)

    Polzin, Kurt A.; Godfroy, Thomas J.

    2008-01-21

    A test loop using NaK as the working fluid is presently in use to study material compatibility effects on various components that comprise a possible nuclear reactor design for use on the lunar surface. A DC electromagnetic (EM) pump has been designed and implemented as a means of actively controlling the NaK flow rate through the system and an EM flow sensor is employed to monitor the developed flow rate. These components allow for the matching of the flow rate conditions in test loops with those that would be found in a full-scale surface-power reactor. The design and operating characteristics of the EM pump and flow sensor are presented. In the EM pump, current is applied to a set of electrodes to produce a Lorentz body force in the fluid. A measurement of the induced voltage (back-EMF) in the flow sensor provides the means of monitoring flow rate. Both components are compact, employing high magnetic field strength neodymium magnets thermally coupled to a water-cooled housing. A vacuum gap limits the heat transferred from the high temperature NaK tube to the magnets and a magnetically-permeable material completes the magnetic circuit. The pump is designed to produce a pressure rise of 34.5 kPa, and the flow sensor's predicted output is roughly 20 mV at the loop's nominal flow rate of 0.114 m{sup 3}/hr.

  11. Charging Properties of Cassiterite (alpha-SnO2) surfaces in NaCl and RbCl Ionic Media.

    SciTech Connect (OSTI)

    Rosenqvist, Jorgen K; Machesky, Michael L.; Vlcek, Lukas; Wesolowski, David J

    2009-09-01

    The acid-base properties of cassiterite (alpha-SnO2) surfaces at 10-50 degrees C were studied using potentiometric titrations of powder suspensions in aqueous NaCl and RbCl media. The proton sorption isotherms exhibited common intersection points in the pH range of 4.0-4.5 under all conditions, and the magnitude of charging was similar but not identical in NaCl and RbCl. The hydrogen bonding configuration at the oxide-water interface, obtained from classical molecular dynamics (MD) simulations, was analyzed in detail, and the results were explicitly incorporated in calculations of protonation constants for the reactive surface sites using the revised MUSIC model. The calculations indicated that the terminal SnOH2 group is more acidic than the bridging Sn2OH group, with protonation constants (log KH) of 3.60 and 5.13 at 25 degrees C, respectively. This is contrary to the situation on the isostructural alpha-TiO2 (rutile), apparently because of the difference in electronegativity between Ti and Sn. MD simulations and speciation calculations indicated considerable differences in the speciation of Na+ and Rb+, despite the similarities in overall charging. Adsorbed sodium ions are almost exclusively found in bidentate surface complexes, whereas adsorbed rubidium ions form comparable numbers of bidentate and tetradentate complexes. Also, the distribution of adsorbed Na+ between the different complexes shows a considerable dependence on the surface charge density (pH), whereas the distribution of adsorbed Rb+ is almost independent of pH. A surface complexation model (SCM) capable of accurately describing both the measured surface charge and the MD-predicted speciation of adsorbed Na+/Rb+ was formulated. According to the SCM, the deprotonated terminal group (SnOH(-0.40)) and the protonated bridging group (Sn2OH+0.36) dominate the surface speciation over the entire pH range of this study (2.7-10). The complexation of medium cations increases significantly with increasing

  12. Charging Properties of Cassiterite (alpha-SnO2) Surfaces in NaCl and RbCl Ionic Media.

    SciTech Connect (OSTI)

    Rosenqvist, Jorgen K; Machesky, Michael L.; Vlcek, Lukas; Wesolowski, David J

    2009-09-01

    The acid-base properties of cassiterite ({alpha}-SnO{sub 2}) surfaces at 10-50 C were studied using potentiometric titrations of powder suspensions in aqueous NaCl and RbCl media. The proton sorption isotherms exhibited common intersection points in the pH range of 4.0-4.5 under all conditions, and the magnitude of charging was similar but not identical in NaCl and RbCl. The hydrogen bonding configuration at the oxide-water interface, obtained from classical molecular dynamics (MD) simulations, was analyzed in detail, and the results were explicitly incorporated in calculations of protonation constants for the reactive surface sites using the revised MUSIC model. The calculations indicated that the terminal SnOH{sub 2} group is more acidic than the bridging Sn{sub 2}OH group, with protonation constants (log K{sub H}) of 3.60 and 5.13 at 25 C, respectively. This is contrary to the situation on the isostructural {alpha}-TiO{sub 2} (rutile), apparently because of the difference in electronegativity between Ti and Sn. MD simulations and speciation calculations indicated considerable differences in the speciation of Na{sup +} and Rb{sup +}, despite the similarities in overall charging. Adsorbed sodium ions are almost exclusively found in bidentate surface complexes, whereas adsorbed rubidium ions form comparable numbers of bidentate and tetradentate complexes. Also, the distribution of adsorbed Na{sup +} between the different complexes shows a considerable dependence on the surface charge density (pH), whereas the distribution of adsorbed Rb{sup +} is almost independent of pH. A surface complexation model (SCM) capable of accurately describing both the measured surface charge and the MD-predicted speciation of adsorbed Na{sup +}/Rb{sup +} was formulated. According to the SCM, the deprotonated terminal group (SnOH{sup -0.40}) and the protonated bridging group (Sn{sub 2}OH{sup +0.36}) dominate the surface speciation over the entire pH range of this study (2.7-10). The

  13. High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF{sub 3}

    SciTech Connect (OSTI)

    Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.

    2012-07-15

    NaNiF{sub 3} perovskite was found to transform to post-perovskite at 16-18 GPa and 1273-1473 K. The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 Multiplication-Sign T (K). Structure refinements indicated that NaNiF{sub 3} perovskite and post-perovskite have almost regular NiF{sub 6} octahedra consistent with absence of the first-order Jahn-Teller active ions. Both NaNiF{sub 3} perovskite and post-perovskite are insulators. The perovskite underwent a canted antiferromagnetic transition at 156 K, and the post-perovskite antiferromagnetic transition at 22 K. Magnetic exchange interaction of NaNiF{sub 3} post-perovskite is smaller than that of perovskite, reflecting larger distortion of Ni-F-Ni network and lower dimension of octahedral arrangement in post-perovskite than those in perovskite. - Graphical abstract: Perovskite-post-perovskite transition in NaNiF{sub 3} at high pressure Highlights: Black-Right-Pointing-Pointer NaNiF{sub 3} perovskite (Pv) transforms to post-perovskite (pPv) at 16 GPa and 1300 K. Black-Right-Pointing-Pointer The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 T (K). Black-Right-Pointing-Pointer Antiferromagnetic transition occurs at 156 K in Pv and 22 K in pPv.

  14. Structural Requirements and Reaction Pathways in Dimethyl Ether...

    Office of Scientific and Technical Information (OSTI)

    saturated with chemisorbed oxygen are required for DME chemisorption. DFT calculations show that although these surface vacancies are required, higher oxygen coverages lead to ...

  15. Characterization of DGEBA (diglycidyl ethers bisphenol-A) epoxy resins

    SciTech Connect (OSTI)

    Larsen, F.N.; Spieker, D.A.

    1987-04-01

    High-resolution gel permeation chromatography and high-performance liquid chromatography can be applied to commercially available DGEBA epoxy resins to elucidate small but significant differences in the oligomer and impurity compositions of these resins. The GPC profiles can be used to type or identify the various commercial grades of these DGEBA resins. Lot-to-lot consistency and aging characteristics can also be determined using GPC and HPLC. Quantitation of the various oligomers and impurities such as the ..cap alpha..-glycol, isomer, and chlorohydrin species is possible. Using 20% isoconversion predictive cure thermal analysis data, the relative resin reactivity of several liquid, low-molecular DGEBA resins has been measured. These data show that the higher viscosity, higher oligomer content resins, which have higher hydroxyl content, reacted faster with amine cure agents than the lower viscosity, higher purity - and consequently lower hydroxyl content - resins. Thus, a combination of liquid chromatography (GPC or HPLC) and DSC kinetics can be used to establish a correlation or equivalency beween the commercially available low-molecular-weight DGEBA epoxy resins.

  16. Microsoft Word - Crown ethers in graphene_Sept15.docx

    Office of Scientific and Technical Information (OSTI)

    ... Mater. 22, 4467-4472 (2010). 29 Cai, W. et al. Synthesis and solid-state nmr structural ... (2010). 43 Hummers, W. S. & Offeman, R. E. Preparation of graphitic oxide. J. Am. Chem. ...

  17. 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.

  18. Raman spectra of methane, ethylene, ethane, dimethyl ether, formaldehy...

    Office of Scientific and Technical Information (OSTI)

    Additional Journal Information: Journal Volume: 163; Journal Issue: C; Journal ID: ISSN 0022-4073 Publisher: Elsevier Sponsoring Org: USDOE Office of Science (SC), Basic Energy ...

  19. Scalar structure of turbulent partially-premixed dimethyl ether...

    Office of Scientific and Technical Information (OSTI)

    Additional Journal Information: Journal Volume: 35; Journal Issue: 2; Related Information: CHORUS Timestamp: 2016-05-06 21:25:01; Journal ID: ISSN 1540-7489 Publisher: Elsevier ...

  20. Dimethyl ether production from methanol and/or syngas (Patent...

    Office of Scientific and Technical Information (OSTI)

    Certain embodiments of the processes are carried out in reactors providing greater surface to volume ratios than the presently used DME reactors. Certain embodiments of the ...

  1. SCALAR STRUCTURE OF TURBULENT PARTIALLY-PREMIXED DIMETHYL ETHER...

    Office of Scientific and Technical Information (OSTI)

    Subject: biofuels (including algae and biomass), hydrogen and fuel cells, combustion, carbon capture Word Cloud More Like This Full Text Journal Articles DOI: 10.1016...

  2. Mechanisms of catalytic cleavage of benzyl phenyl ether in aqueous...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Journal of Catalysis; Journal Volume: 311; Journal Issue: C Publisher: Elsevier Research Org: Pacific Northwest National Laboratory (PNNL), ...

  3. Low-temperature hydrothermal synthesis of the three-layered sodium cobaltite P3-Na{sub x}CoO{sub 2} (x ∼ 0.60)

    SciTech Connect (OSTI)

    Miclau, M.; Bokinala, K.; Miclau, N.

    2014-06-01

    Highlights: • We report direct synthesis of the high temperature stable phase, P3-Na{sub 0.6}CoO{sub 2}. • The hydrothermal synthesis of P3-Na{sub 0.6}CoO{sub 2} involves one step and low temperature. • The yield diagram for Na–Co–H{sub 2}O system has been builded up to 250 °C. • We propose a formation mechanism of P3-Na{sub 0.6}CoO{sub 2} phase using the unit cell theory. • The thermal stability of P3-Na{sub 0.6}CoO{sub 2} has been investigated by means of HT-XRD. - Abstract: In order to obtain the layered sodium cobalt oxide materials by hydrothermal synthesis, the yield diagram for Na–Co–H{sub 2}O system has been built and studied. In the same time, the well-known data of Co–H{sub 2}O system have been extended at 250 °C in basic solution. We had first synthesized directly the high temperature stable phase, P3-Na{sub 0.6}CoO{sub 2} by a one-step low-temperature hydrothermal method. The rhombohedral structure of P3-Na{sub 0.6}CoO{sub 2} has been determined by X-ray diffraction (XRD) and the purity of phases has been confirmed by XPS. The thermal stability of P3-Na{sub 0.6}CoO{sub 2} has been investigated by means of high temperature X-ray diffraction in 298–873 K range and when the temperature has reached 723 K, the completely transformation of P3-Na{sub 0.6}CoO{sub 2} in the rhombohedral stable phase α-NaCoO{sub 2} (space group R-3m) was observed. Also, a formation mechanism of P3-Na{sub 0.6}CoO{sub 2} phase using the unit cell theory in the hydrothermal process was proposed.

  4. Crystal structure of α- and β-Na{sub 2}U{sub 2}O{sub 7}: From Rietveld refinement using powder neutron diffraction data

    SciTech Connect (OSTI)

    IJdo, D.J.W. Akerboom, S.; Bontenbal, A.

    2015-01-15

    The crystal structures of α- and β-Na{sub 2}U{sub 2}O{sub 7} have been determined from neutron powder diffraction. At 293 K, the compound α-Na{sub 2}U{sub 2}O{sub 7} has a monoclinic unit cell, space group P2{sub 1}/a, with a=12.7617(14) Å, b=7.8384(10) Å, c=6.8962(9) Å, β=111.285(9)°, and Z=4. At 773 K, β-Na{sub 2}U{sub 2}O{sub 7} is also monoclinic, space group C2/m, with a=12.933(1) Å, b=7.887(1) Å, c=6.9086(8) Å, β=110.816(10)°, and Z=4. The structures can be described by layers U{sub 2}O{sub 7}{sup 2−} built from corner linked deformed UO{sub 6} octahedra with pentagonal UO{sub 7} bipyramids in between linked with common edges to each other and to the octahedra. The Na atoms occupy the interlayer space. The Na{sub 2}U{sub 2}O{sub 7} layers are similar as in K{sub 2}U{sub 2}O{sub 7}, but with a different stacking sequence of the layers. The layers in β-Na{sub 2}U{sub 2}O{sub 7} are more symmetric. The relationship with the compounds A{sub 2}U{sub 2}O{sub 7} (A=K, Rb, and Cs) is discussed. - Graphical abstract: The U{sub 2}O{sub 7} layer of α-Na{sub 2}U{sub 2}O{sub 7} (left) at 293 K and of β-Na{sub 2}U{sub 2}O{sub 7} (right) at 773 K determined by neutron diffraction. Some Na atoms between the layers are visible. - Highlights: • Na{sub 2}U{sub 2}O{sub 7} has been prepared by means of a solid state reaction. • The structure has been determined using neutron diffraction. • At 293 K, the compound adopts a monoclinic structure with space group P2{sub 1}/a. • The structure at 773 K is closely related, and is described in the space group C2/m.

  5. Effect of carbon on stress corrosion cracking and anodic oxidation of iron in NaOH solutions

    SciTech Connect (OSTI)

    Flis, J.; Ziomek-Moroz, Margaret

    2008-06-01

    Anodic behaviour of decarburised iron and of quenched Fe–C materials with up to 0.875 wt% C was examined in 8.5 M NaOH at 100 °C to explain the role of carbon in caustic stress corrosion cracking (SCC) of plain steels. Removal of carbon from Armco iron strongly reduced its intergranular SCC. Slip steps on grains did not initiate cracks. It has been shown that carbon at low contents deteriorates the passivation of iron, whereas at high contents it promotes the formation of magnetite. High resistance to SCC of high carbon steels can be explained by an intense formation of magnetite on these steels.

  6. Natural Gas Wellhead Price

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

    NA NA NA NA NA NA 1973

  7. The mobility of Nb in rutile-saturated NaCl- and NaF-bearing aqueous fluids from 1–6.5 GPa and 300–800 °C

    SciTech Connect (OSTI)

    Tanis, Elizabeth A.; Simon, Adam; Tschauner, Oliver; Chow, Paul; Xiao, Yuming; Burnley, Pamela; Cline II, Christopher J.; Hanchar, John M.; Pettke, Thomas; Shen, Guoyin; Zhao, Yusheng

    2015-08-26

    Rutile (TiO₂) is an important host phase for high field strength elements (HFSE) such as Nb in metamorphic and subduction zone environments. The observed depletion of Nb in arc rocks is often explained by the hypothesis that rutile sequesters HFSE in the subducted slab and overlying sediment, and is chemically inert with respect to aqueous fluids evolved during prograde metamorphism in the forearc to subarc environment. However, field observations of exhumed terranes, and experimental studies, indicate that HFSE may be soluble in complex aqueous fluids at high pressure (i.e., >0.5 GPa) and moderate to high temperature (i.e., >300 °C). In this study, we investigated experimentally the mobility of Nb in NaCl- and NaF-bearing aqueous fluids in equilibrium with Nb-bearing rutile at pressure-temperature conditions applicable to fluid evolution in arc environments. Niobium concentrations in aqueous fluid at rutile saturation were measured directly by using a hydrothermal diamond-anvil cell (HDAC) and synchrotron X-ray fluorescence (SXRF) at 2.1 to 6.5 GPa and 300–500 °C, and indirectly by performing mass loss experiments in a piston-cylinder (PC) apparatus at ~1 GPa and 700–800 °C. The concentration of Nb in a 10 wt% NaCl aqueous fluid increases from 6 to 11 μg/g as temperature increases from 300 to 500 °C, over a pressure range from 2.1 to 2.8 GPa, consistent with a positive temperature dependence. The concentration of Nb in a 20 wt% NaCl aqueous fluid varies from 55 to 150 μg/g at 300 to 500 °C, over a pressure range from 1.8 to 6.4 GPa; however, there is no discernible temperature or pressure dependence. The Nb concentration in a 4 wt% NaF-bearing aqueous fluid increases from 180 to 910 μg/g as temperature increases from 300 to 500 °C over the pressure range 2.1 to 6.5 GPa. The data for the F-bearing fluid indicate that the Nb content of the fluid exhibits a dependence on temperature between 300 and 500 °C at ≥2 GPa, but there is no observed

  8. Compositional inhomogeneityand segregation in (K0.5Na0.5)NbO3 ceramics

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

    Chen, Kepi; Tang, Jing; Chen, Yan

    2016-03-11

    The effects of the calcination temperature of (K0.5Na0.5)NbO3 (KNN) powder on the sintering and piezoelectric properties of KNN ceramics have been investigated in this report. KNN powders are synthesized via the solid-state approach. Scanning electron microscopy and X-ray diffraction characterizations indicate that the incomplete reaction at 700 °C and 750 °C calcination results in the compositional inhomogeneity of the K-rich and Na-rich phases while the orthorhombic single phase is obtained after calcination at 900 °C. During the sintering, the presence of the liquid K-rich phase due to the lower melting point has a significant impact on the densification, the abnormalmore » grain growth and the deteriorated piezoelectric properties. From the standpoint of piezoelectric properties, the optimal calcination temperature obtained for KNN ceramics calcined at this temperature is determined to be 800 °C, with piezoelectric constant d33=128.3 pC/N, planar electromechanical coupling coefficient kp=32.2%, mechanical quality factor Qm=88, and dielectric loss tan δ=2.1%.« less

  9. Structure of 2 molar NaOH in aqueous solution from neutron diffraction and empirical potential structure refinement

    SciTech Connect (OSTI)

    McLain, Sylvia E.; Imberti, Silvia; Soper, Alan K.; Botti, Alberto; Bruni, Fabio; Ricci, Maria Antonietta

    2006-09-01

    Neutron diffraction with isotopic substitution has been used to investigate aqueous solutions of 2M NaOH in the liquid state. The data were modeled using empirical potential structure refinement which allows for the extraction of the ion-water and water-water correlations. The data show that the ion-water radial distribution functions are in accordance with those found by previous studies on NaOH solutions and follow a trend which is dependent on the concentration of the solute. In particular, the shape of the hydroxide hydration shell is found to be concentration independent, but the number of water molecules occupying this shell increases with dilution. Additionally, the water-water correlations show that there is still a measurable effect on water structure with the addition of ions at this concentration, as the second shell in the water oxygen radial distribution function is compressed relative to the first shell. The data are also used to discuss the recent claims that the published radial distribution functions of water are unreliable, showing that data taken at different neutron sources, with different diffraction geometry and systematic errors lead to the same structural information when analyzed via a realistic modeling regime.

  10. Electron doping evolution of the neutron spin resonance in NaFe1-xCoxAs

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

    Zhang, Chenglin; Song, Yu; Carr, Scott Victor; Chi, Songxue; Christianson, Andrew D.; Matsuda, Masaaki; Fernandez-Baca, Jaime A.; Dai, Pengcheng; Lv, Weicheng; Tan, Guotai; et al

    2016-05-31

    Neutron spin resonance, a collective magnetic excitation coupled to superconductivity, is one of the most prominent features shared by a broad family of unconventional superconductors including copper oxides, iron pnictides, and heavy fermions. In this paper, we study the doping evolution of the resonances in NaFe1–xCoxAs covering the entire superconducting dome. For the underdoped compositions, two resonance modes coexist. As doping increases, the low-energy resonance gradually loses its spectral weight to the high-energy one but remains at the same energy. By contrast, in the overdoped regime we only find one single resonance, which acquires a broader width in both energymore » and momentum but retains approximately the same peak position even when Tc drops by nearly a half compared to optimal doping. Furthermore, these results suggest that the energy of the resonance in electron overdoped NaFe1–xCoxAs is neither simply proportional to Tc nor the superconducting gap but is controlled by the multiorbital character of the system and doped impurity scattering effect.« less

  11. Synthesis and photoluminescence properties of NaLaMgWO{sub 6}:RE{sup 3+} (RE = Eu, Sm, Tb) phosphor for white LED application

    SciTech Connect (OSTI)

    Hou, Jingshan; CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 ; Yin, Xin; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 ; Huang, Fuqiang; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 ; Jiang, Weizhong

    2012-06-15

    Highlights: ► NaLa{sub 1−x}MgWO{sub 6}:xRE{sup 3+} phosphors were synthesized by solid-state reaction method. ► Compared with Y{sub 2}O{sub 3}:Eu{sup 3+}, NaLaMgWO{sub 6}:Eu{sup 3+} performed better luminescence properties. ► The results demonstrated NaLaMgWO{sub 6} as a suitable host for RE{sup 3+}-doping. -- Abstract: Single phase of NaLa{sub 1−x}MgWO{sub 6}:xRE{sup 3+} (0 < x ≤1) (RE = Eu, Sm, Tb) phosphors were prepared by solid-state reaction method. X-ray diffraction, scanning electron microscopy, the morphology energy-dispersive X-ray spectroscopy, UV–vis diffuse reflectance spectra and photoluminescence were used to characterize the samples. Under the light excitation, NaLaMgWO{sub 6}:Eu{sup 3+}, NaLaMgWO{sub 6}:Sm{sup 3+} and NaLaMgWO{sub 6}:Tb{sup 3+}, phosphors showed the characteristic emissions of Eu{sup 3+} ({sup 5}D{sub 0} → {sup 7}F{sub 4,3,2,1}), Sm{sup 3+} ({sup 4}G{sub 5/2} → {sup 6}H{sub 5/2,7/2,9/2}), and Tb{sup 3+} ({sup 5}D{sub 4} → {sup 7}F{sub 6,5,4,3}), respectively. The intensity of the red emission for Na(La{sub 0.6}Eu{sub 0.4})MgWO{sub 6} is 2.5 times higher than that of (Y{sub 0.95}Eu{sub 0.05}){sub 2}O{sub 3} under blue light irradiation. The quantum efficiencies of the entitled phosphors excited under 394 nm and 464 nm are also investigated and compared with commercial phosphors Y{sub 2}O{sub 3}:Eu{sup 3+}, Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+} and Y{sub 3}A{sub 5}G{sub 12}:Ce{sup 3+}. The results demonstrated NaLaMgWO{sub 6}:RE{sup 3+} phosphors as potential candidates for white light emitting diode pumped by UV or blue chip.

  12. β-NaVOPO4 obtained by a low-temperature synthesis process: A new 3.3 V cathode for sodium-ion batteries

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

    He, Guang; Huq, Ashfia; Manthiram, Arumugam; Kan, Wang Hay

    2016-02-02

    Vanadyl phosphates (VOPO4) represent a class of attractive cathodes in lithium-ion batteries. However, the exploration of this type of materials in sodium-ion batteries is rare. Here, we report for the first time the synthesis of orthorhombic β-NaVOPO4 by first chemically extracting lithium from beta-LiVOPO4 and then inserting sodium into the obtained β-VOPO4 by a microwave-assisted solvothermal process with NaI, which serves both as a reducing agent and sodium source. Intermediate NaxVOPO4 compositions with x = 0.3, 0.5, and 0.8 have also been obtained by controlling the amount of NaI in the reaction mixture. Joint Rietveld refinement of synchrotron X-ray diffractionmore » (XRD) and neutron diffraction confirms that the fully sodiated β-NaVOPO4 is isostructural with the lithium counterpart β-LiVOPO4. Bond valence sum maps suggest that sodium ions possibly diffuse along the [010] direction in the lattice, similar to the ionic conduction pathway in β-LiVOPO4. Although the initial discharge capacity is low due to the protons in the structure, it steadily increases with cycling with a long plateau at 3.3 V. As a result, ex situ XRD data of cycled β-VOPO4 and β-NaVOPO4 electrodes confirm the reversible reaction in sodium cells involving the V4+/V5+ redox couple.« less

  13. Thermal stability, acidity, catalytic properties, and deactivation behaviour of SAPO-5 catalysts: Effect of silicon content, acid treatment, and Na exchange

    SciTech Connect (OSTI)

    Akolekar, D.B.

    1994-09-01

    Crystalline microporous SAPO-5 molecular sieves with different silicon content, acid-treated SAPO-5 and Na-exchanged SAPO-5 were investigated for their thermal stability, and acidic and catalytic properties. SAPO-5 materials with increasing SI framework content exhibited lower thermal stability. The effects of the thermal treatment and Na exchange on the N{sub 2}-sorption capacity (at 78 K) of these materials were studied. In situ IR spectroscopic investigations of pyridine chemisorbed on the aluminophosphate catalysts revealed that the concentration of Broensted and Lewis acid sites are strongly affected by the Si content in the AlPO{sub 4} framework, acid treatment, and Na exchange. The results of temperature programmed desorption (TPD) and stepwise thermal desorption of pyridine suggest that there exists a broad site energy distribution over the aluminophosphate catalysts increases with the increasing Si content in the AlPO{sub 4} framework. The acid treatment and Na exchange showed a decrease in the number of strong acid sites on SAPO-5. The TPD of pyridine over SAPO-5, acid-treated SAPO-5, and Na-exchanged SAPO-5 indicated the presence of two types of acid sites. Correlation between the number of strong acid sites (measured in terms of the chemisorption of pyridine at 673 K) and framework charge on the aluminophosphate catalysts has also been obtained. The catalytic activities of SAPO-5 catalysts in the ethanol, n-hexane, isooctane, toluene, and o-xylene conversion reactions were studied. 22 refs., 11 figs., 5 tabs.

  14. Ti-substituted tunnel-type Na0.44MnO2 oxide as a negative electrode for aqueous sodium-ion batteries

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

    Wang, Yuesheng; Liu, Jue; Lee, Byungju; Qiao, Ruimin; Yang, Zhenzhong; Xu, Shuyin; Yu, Xiqian; Gu, Lin; Hu, Yong-Sheng; Yang, Wanli; et al

    2015-03-25

    The aqueous sodium-ion battery system is a safe and low-cost solution for large-scale energy storage, due to the abundance of sodium and inexpensive aqueous electrolytes. Although several positive electrode materials, e.g., Na0.44MnO2, were proposed, few negative electrode materials, e.g., activated carbon and NaTi2(PO4)3, are available. Here we show that Ti-substituted Na0.44MnO2 (Na0.44[Mn1-xTix]O2) with tunnel structure can be used as a negative electrode material for aqueous sodium-ion batteries. This material exhibits superior cyclability even without the special treatment of oxygen removal from the aqueous solution. Atomic-scale characterizations based on spherical aberration-corrected electron microscopy and ab initio calculations are utilized to accuratelymore » identify the Ti substitution sites and sodium storage mechanism. Ti substitution tunes the charge ordering property and reaction pathway, significantly smoothing the discharge/charge profiles and lowering the storage voltage. Both the fundamental understanding and practical demonstrations suggest that Na0.44[Mn1-xTix]O2 is a promising negative electrode material for aqueous sodium-ion batteries.« less

  15. Structure and ferroelectricity of nonstoichiometric (Na{sub 0.5}Bi{sub 0.5})TiO{sub 3}

    SciTech Connect (OSTI)

    Carter, Jared; Aksel, Elena; Iamsasri, Thanakorn; Forrester, Jennifer S.; Jones, Jacob L.; Chen, Jun

    2014-03-17

    Stoichiometric (Na{sub 0.5}Bi{sub 0.5})TiO{sub 3} (NBT) adopts the ABO{sub 3} perovskite structure with the A-site equally occupied by Na{sup +} and Bi{sup 3+} ions. However, non-stoichiometric compositions can be synthesized intentionally or unintentionally. To determine the effect of A-site nonstoichiometry on the crystal structure and ferroelectricity of NBT, the composition of (Na{sub 0.5?x}Bi{sub 0.5+x})TiO{sub 3+x} was varied using x?=??0.01, ?0.005, 0, 0.005, and 0.01. High resolution synchrotron x-ray diffraction and Rietveld refinement revealed that a shift in either direction from x = 0 results in a decrease in the spontaneous ferroelastic strain. Ferroelectric hysteresis and piezoelectric coefficients were found to be optimum in the stoichiometric composition.

  16. Exotic magnetism on the quasi-FCC lattices of the d3 double perovskites La2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Baker, Peter J.; Bugaris, Dan; Yeon, Jeongho; Zur Loye, Hans-Conrad; Guidi, T.; Adroja, D. T.

    2014-01-01

    We find evidence for long-range and short-range ($\\zeta$~$=$~70~\\AA~at 4~K) incommensurate magnetic order on the quasi-face-centered-cubic (FCC) lattices of the monoclinic double perovskites La$_2$NaRuO$_6$ and La$_2$NaOsO$_6$ respectively. Incommensurate magnetic order on the FCC lattice has not been predicted by mean field theory, but may arise via a delicate balance of inequivalent nearest neighbour and next nearest neighbour exchange interactions. In the Ru system with long-range order, inelastic neutron scattering also reveals a spin gap $\\Delta$~$\\sim$~2.75~meV. Magnetic anisotropy is generally minimized in the more familiar octahedrally-coordinated $3d^3$ systems, so the large gap observed for La$_2$NaRuO$_6$ may result from the significantly enhanced value of spin-orbit coupling in this $4d^3$ material.

  17. Frustration by competing interactions in the highly-distorted double perovskites La2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Bugaris, Dan; Li, Ling; Yan, Jiaqiang; Dela Cruz, Clarina R; Zur Loye, Hans-Conrad; Nagler, Stephen E

    2013-01-01

    The usual classical behaviour of S = 3/2, B-site ordered double perovskites generally results in simple, commensurate magnetic ground states. In contrast, heat capacity and neutron powder diffraction measurements for the S = 3/2 systems La2NaB'O6 (B = Ru, Os) reveal an incommensurate magnetic ground state for La2NaRuO6 and a drastically suppressed ordered moment for La2NaOsO6. This behaviour is attributed to the large monoclinic structural distortions of these double perovskites. The distortions have the effect of weakening the nearest neighbour superexchange interactions, presumably to an energy scale that is comparable to the next nearest neighbour superexchange. The exotic ground states in these materials can then arise from a competition between these two types of antiferromagnetic interactions, providing a novel mechanism for achieving frustration in the double perovskite family.

  18. The reaction mechanism of SnSb and Sb thin film anodes for Na-ion batteries studied by X-ray diffraction, 119Sn and 121Sb M ssbauer spectroscopies

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

    Baggetto, Loic; Hah, Hien-Yoong; Jumas, Dr. Jean-Claude; Johnson, Prof. Dr. Charles E.; Johnson, Jackie A.; Keum, Jong Kahk; Bridges, Craig A; Veith, Gabriel M

    2014-01-01

    The electrochemical reaction of Sb and SnSb anode materials with Na results in the formation of amorphous materials. To understand the resulting phases and electrochemical capacities we studied the reaction products local order using 119Sn and 121Sb M ssbauer spectroscopies in conjunction with measurements performed on model powder compounds of Na-Sn and Na-Sb to further clarify the reactions steps. For pure Sb the discharge (sodiation) starts with the formation of an amorphous phase composed of atomic environments similar to those found in NaSb, and proceeds further by the formation of environments similar to that present in Na3Sb. The reversible reactionmore » takes place during a large portion of the charge process. At full charge the anode material still contains a substantial fraction of Na, which explains the lack of recrystallization into crystalline Sb. The reaction of SnSb yields Na3Sb crystalline phase at full discharge at higher temperatures (65 and 95 C) while the room temperature reaction yields amorphous compounds. The electrochemically-driven, solid-state amorphization reaction occurring at room temperature is governed by the simultaneous formation of Na-coordinated Sn and Sb environments, as monitored by the decrease (increase) of the 119Sn (121Sb) M ssbauer isomer shifts. Overall, the monitoring of the hyperfine parameters enables to correlate the changes in Na content to the individual Sn and Sb local chemical environments.« less

  19. The first Fe-based Na+-ion cathode with two distinct types of polyanions: Fe3P5SiO19

    SciTech Connect (OSTI)

    Kan, W. H.; Huq, A.; Manthiram, A.

    2015-05-15

    We report the synthesis, structure, and electrochemistry of the first Na+-ion cathode with two distinct types of polyanions: Fe3P5SiO19. The Fe-based cathode has a reversible capacity of ca. 70 mAh g-1; ca. 1.7 Na+ ions per formula can be inserted/extracted at an average voltage of 2.5 V versus Na+/Na.

  20. The reaction mechanism of SnSb and Sb thin film anodes for Na-ion batteries studied by X-ray diffraction, 119Sn and 121Sb Mössbauer spectroscopies

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

    Baggetto, Loïc; Hah, Hien-Yoong; Jumas, Jean-Claude; Johnson, Charles E.; Johnson, Jacqueline A.; Keum, Jong K.; Bridges, Craig A.; Veith, Gabriel M.

    2014-06-01

    The electrochemical reaction of Sb and SnSb anode materials with Na results in the formation of amorphous materials. To understand the resulting phases and electrochemical capacities we studied the reaction products local order using 119Sn and 121Sb Mössbauer spectroscopies in conjunction with measurements performed on model powder compounds of Na-Sn and Na-Sb to further clarify the reactions steps. For pure Sb the discharge (sodiation) starts with the formation of an amorphous phase composed of atomic environments similar to those found in NaSb, and proceeds further by the formation of environments similar to that present in Na3Sb. The reversible reaction takesmore » place during a large portion of the charge process. At full charge the anode material still contains a substantial fraction of Na, which explains the lack of recrystallization into crystalline Sb. The reaction of SnSb yields Na3Sb crystalline phase at full discharge at higher temperatures (65 and 95°C) while the room temperature reaction yields amorphous compounds. The electrochemically-driven, solid-state amorphization reaction occurring at room temperature is governed by the simultaneous formation of Na-coordinated Sn and Sb environments, as monitored by the decrease (increase) of the 119Sn (121Sb) Mössbauer isomer shifts. Overall, the monitoring of the hyperfine parameters enables to correlate the changes in Na content to the individual Sn and Sb local chemical environments.« less

  1. Room temperature magnetocaloric effect, critical behavior, and magnetoresistance in Na-deficient manganite La{sub 0.8}Na{sub 0.1}MnO{sub 3}

    SciTech Connect (OSTI)

    Khlifi, M. Dhahri, E.; Hlil, E. K.

    2014-05-21

    The La{sub 0.8}Na{sub 0.1}MnO{sub 3} oxide was prepared by the solid-state reaction and annealed in air. The X-ray diffraction data reveal that the sample is crystallized in a rhombohedral structure with R3{sup ¯}c space group. Magnetic study shows a second-order magnetic phase transition from ferromagnetic to paramagnetic state at the Curie temperature T{sub C} = 295 K. In addition, the magnetizations as a function of temperature and the magnetic field is used to evaluate the magnetic entropy change ΔS{sub M}. Then, we have deduced that the La{sub 0.8}Na{sub 0.1}MnO{sub 3} oxide has a large magnetocaloric effect at room temperature. Such effect is given by the maximum of the magnetic entropy change ΔS{sub Mmax} = 5.56, and by the Relative cooling power (RCP) factor which is equal to 235 under a magnetic field of 5 T. Moreover, the magnetic field dependence of the magnetic entropy change is used to determine the critical exponents β, γ, and δ which are found to be β = 0.495, γ = 1.083, and δ = 3.18. These values are consistent with the prediction of the mean field theory (β = 0.5, γ = 1, and δ = 3). Above all, the temperature dependence of electrical resistivity shows a metal–insulator transition at T{sub ρ}. The electrical resistivity decrease when we apply a magnetic field giving a magnetoresistance effect in the order of 60% at room temperature.

  2. Functional roles of Na/sup +/ and H/sup +/ in SO/sup 2 -//sub 4/ transport by rabbit ileal brush border membrane vesicles

    SciTech Connect (OSTI)

    Ahearn, G.A.; Murer, H.

    1984-01-01

    Sulfate uptake by rabbit ileal brush border membrane vesicles was stimulated by a transmembrane sodium gradient, but not by a similar potassium gradient. /sup 35/SO/sub 4/(/sup +2/) influx (JSO4 oi) from outside (o) to inside (i) these vesicles was a hyperbolic function of (SO/sub 4//sup +2/)o and the affinity constant for anion transport was strongly influenced by (Na/sup +/)o. JSO/sub 4/ oi was a sigmoidal function of (Na/sup +/)o at pH 7.4 for both low (0.2 M) and high (4.0 mM) (SO/sub 4//sup +2/)o. The Na/sup +/-dependency of JSO/sub 4/ oi was examined at pH 6.0, 7.4, and 8.0 (same pH inside and outside). When a H/sup +/ gradient was imposed across the vesicle wall (pHi . 8.0, pHo . 6.0), Na/sup +/-dependent JSO/sub 4/ oi was hyperbolic and significantly increased at each (Na/sup +/)o over values observed using bilateral pH 8.0. In contrast, a H/sup +/ gradient oriented in the opposite direction (pHi . 6.0, pHo . 8.0) led to Na/sup +/-dependent JSO/sub 4/ oi that was sigmoidal and significantly lower at each (Na/sup +/)o than values found using bilateral pH 6.0. Electrogenicity of JSO4 oi at pH 8.0 for both high and low (Na+)o was demonstrated by using a valinomycin-induced transmembrane electrical potential difference. A model is proposed for proton regulation of sodium sulphate cotransport where flux stoichiometry is controlled by (H/sup +/)i and sodium binding affinity is modified by (H/sup +/)o. Preliminary experiments with rabbit proximal tubular brush border membrane vesicles disclosed similar JSO/sub 4/ oi kinetic properties and a common transport mechanism may occur in both tissues.

  3. Hot-stage transmission electron microscopy study of (Na, K)NbO{sub 3} based lead-free piezoceramics

    SciTech Connect (OSTI)

    Lu, Shengbo; Xu, Zhengkui; Kwok, K. W.; Chan, Helen L. W.

    2014-07-28

    Hierarchical nanodomains assembled into micron-sized stripe domains, which is believed to be associated with outstanding piezoelectric properties, were observed at room temperature in a typical lead free piezoceramics, (Na{sub 0.52}K{sub 0.48−x})(Nb{sub 0.95−x}Ta{sub 0.05})-xLiSbO{sub 3}, with finely tuned polymorphic phase boundaries (x = 0.0465) by transmission electron microscopy. The evolution of domain morphology and crystal structure under heating and cooling cycles in the ceramic was investigated by in-situ hot stage study. It is found that the nanodomains are irreversibly transformed into micron-sized rectangular domains during heating and cooling cycles, which lead to the thermal instability of piezoelectric properties of the materials.

  4. Enhancement of second harmonic generation in NaNO{sub 2}-infiltrated opal photonic crystal using structural light focusing

    SciTech Connect (OSTI)

    Zaytsev, Kirill I. Yurchenko, Stanislav O.

    2014-08-04

    Experimental and numerical results for second harmonic generation (SHG) in photonic crystal (PC) based on NaNO{sub 2}-infiltrated opal matrix are presented. SHG is performed in reflection mode; thus, the direction of the SHG maximum is equal to the angle of mirror reflection. The PC was pumped with femtosecond optical pulses at different angles of incidence, allowing the dependence of the SHG efficiency on the location of the fundamental wavelength toward the PC band gap (BG) to be examined. The most efficient SHG was observed when pumping the BG of the PC. To interpret the experimental results, finite-difference time-domain numerical simulations of the light interaction with the PC were conducted. The observed effect of highly efficient SHG is associated with structural light focusing, and, as a consequence, with strong optical field localization within certain near-surface PC regions. Thus, SHG enhancement based on structural light focusing in PC was demonstrated.

  5. Low-surface-area hard carbon anode for Na-ion batteries via graphene oxide as a dehydration agent

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

    Luo, Wei; Bommier, Clement; Jian, Zelang; Li, Xin; Carter, Rich; Vail, Sean; Lu, Yuhao; Lee, Jong -Jan; Ji, Xiulei

    2015-02-04

    Na-ion batteries are emerging as one of the most promising energy storage technologies, particularly for grid-level applications. Among anode candidate materials, hard carbon is very attractive due to its high capacity and low cost. However, hard carbon anodes often suffer a low first-cycle Coulombic efficiency and fast capacity fading. In this study, we discover that doping graphene oxide into sucrose, the precursor for hard carbon, can effectively reduce the specific surface area of hard carbon to as low as 5.4 m²/g. We further reveal that such doping can effectively prevent foaming during caramelization of sucrose and extend the pyrolysis burn-offmore » of sucrose caramel over a wider temperature range. Thus, the obtained low-surface-area hard carbon greatly improves the first-cycle Coulombic efficiency from 74% to 83% and delivers a very stable cyclic life with 95% of capacity retention after 200 cycles.« less

  6. Evidence for the onset of deconfinement and quest for the critical point by NA49 at the CERN SPS

    SciTech Connect (OSTI)

    Melkumov, G. L.; Anticic, T.; Baatar, B.; Barna, D.; Bartke, J.; Beck, H.; Betev, L.; Bialkowska, H.; Blume, C.; Bogusz, M.; Boimska, B.; Book, J.; Botje, M.; Buncic, P.; Cetner, T.; Christakoglou, P.; Chung, P.; Chvala, O.; Cramer, J. G.; Eckardt, V.; and others

    2012-05-15

    The NA49 results on hadron production obtained in PbPb collisions at SPS energies from 20 to 158 A GeV are shown and discussed as evidence for the onset of deconfinement. The primary measures are the pion yield, the kaon-to-pion ratio and the slope parameter of transverse mass distributions. The possible indication of the QCD critical point signatures was investigated in the event-by-event fluctuations of various observables such as the mean transverse momentum, particle multiplicity and azimuthal angle distributions as well as in the particle ratio fluctuations. The energy dependence of these observables was measured in central PbPb collisions in the full SPS energy range while for analysis of the system size dependence data from pp, CC, SiSi, and PbPb collisions at the top SPS energy were used.

  7. Low-surface-area hard carbon anode for Na-ion batteries via graphene oxide as a dehydration agent

    SciTech Connect (OSTI)

    Luo, Wei; Bommier, Clement; Jian, Zelang; Li, Xin; Carter, Rich; Vail, Sean; Lu, Yuhao; Lee, Jong -Jan; Ji, Xiulei

    2015-02-04

    Na-ion batteries are emerging as one of the most promising energy storage technologies, particularly for grid-level applications. Among anode candidate materials, hard carbon is very attractive due to its high capacity and low cost. However, hard carbon anodes often suffer a low first-cycle Coulombic efficiency and fast capacity fading. In this study, we discover that doping graphene oxide into sucrose, the precursor for hard carbon, can effectively reduce the specific surface area of hard carbon to as low as 5.4 m²/g. We further reveal that such doping can effectively prevent foaming during caramelization of sucrose and extend the pyrolysis burn-off of sucrose caramel over a wider temperature range. Thus, the obtained low-surface-area hard carbon greatly improves the first-cycle Coulombic efficiency from 74% to 83% and delivers a very stable cyclic life with 95% of capacity retention after 200 cycles.

  8. Corrosion behavior of Ni and Ni-based alloys in concentrated NaOH solutions at high temperatures

    SciTech Connect (OSTI)

    Yasuda, M.; Fukumoto, K.; Ogata, Y.; Hine, F.

    1988-12-01

    Corrosion behavior of SUS 310S austenitic stainless steel, Alloy 600, Monel 400, and Ni 200 and NaOH solutions in the concentration range 30-60% at high temperatures up to 166/sup 0/C was studied. In solutions containing dissolved oxygen or under oxidizing conditions, all the specimens examined were corroded seriously due to oxygen diffusion through the porous oxide layer consisting of ..beta..-Ni(OH)/sub 2/. In hydrogen-saturated solutions, on the other hand, these Ni alloys were corrosion resistant because nickel in the alloys was active to oxidation of hydrogen. The specimens were corroded by deaerated solution at high temperatures in which hydrogen evolution took place as the counterreaction. The corrosion rate controlled by the hydrogen formation reaction increased exponentially with the decrease of the Ni content in the alloy.

  9. Low-surface-area hard carbon anode for Na-ion batteries via graphene oxide as a dehydration agent

    SciTech Connect (OSTI)

    Luo, Wei; Bommier, Clement; Jian, Zelang; Li, Xin; Carter, Rich; Vail, Sean; Lu, Yuhao; Lee, Jong -Jan; Ji, Xiulei

    2015-02-04

    Na-ion batteries are emerging as one of the most promising energy storage technologies, particularly for grid-level applications. Among anode candidate materials, hard carbon is very attractive due to its high capacity and low cost. However, hard carbon anodes often suffer a low first-cycle Coulombic efficiency and fast capacity fading. In this study, we discover that doping graphene oxide into sucrose, the precursor for hard carbon, can effectively reduce the specific surface area of hard carbon to as low as 5.4 m/g. We further reveal that such doping can effectively prevent foaming during caramelization of sucrose and extend the pyrolysis burn-off of sucrose caramel over a wider temperature range. Thus, the obtained low-surface-area hard carbon greatly improves the first-cycle Coulombic efficiency from 74% to 83% and delivers a very stable cyclic life with 95% of capacity retention after 200 cycles.

  10. ..&rrbt, Chief, Industrial Hy&na Branch, HerlthbrSas8byLaboratoly

    Office of Legacy Management (LM)

    tf..@ ..&rrbt, Chief, Industrial Hy&na Branch, HerlthbrSas8byLaboratoly ;,.; , ' 1 ' @@w-w 3, 1954 P. B. Klevin, Indurtrial Hygiexn J5rantah, Barrlei &'afelky Lab0raM~ : . .A , 3 t :;p,: . NATIONAL LEiD OF OHIO ROLLINO OFERATIONS AT SIHONr>s SAW 6 STEEL- Amm', +I& y9, <: '.. SmBoLt HSHtPBK ' -: - St. Louis Area Office at the Simnds Saw and Steel Co., k&port, NJ., on tha &boVe clrtm, I oblruloed tb Mat;Lonal Uad umu&m and thorium roll- ing operations which were

  11. Influence of cadmium on ketamine-induced anesthesia and brain microsomal Na[sup +], K[sup +]-ATPase in mice

    SciTech Connect (OSTI)

    Shen, Y.; Sangiah, S. )

    1994-10-01

    Cadmium is a rare metallic element, present in almost all types of food. Shellfish, wheat and rice accumulate very high amounts. Occupational and environmental pollutants are the main sources of cadmium exposure. Cadmium has a very long biologic half-life. Exposure to Cadmium causes anemia, hypertension, hepatic, renal, pulmonary and cardiovascular disorders as well as being a possible mutagen, teratogen and carcinogen. Acute cadmium treatment increased the hexobarbital sleeping time and inhibited hepatic microsomal drug metabolism due to a decrease in cytochrome P[sub 450] content. Cadmium potentiated ethanol-induced sleep in a dose-dependent manner. Cadmium has been shown to inhibit brain microsomal Na[sup +], K[sup +]-ATPase activity in vitro and in vivo. Cadmium and ethanol additively inhibited brain Na[sup +], K[sup +]-ATPase. This might be a direct interaction between cadmium and ethanol in the central nervous system. Ketamine is an intravenous anesthetic agent. It acts on central nervous system and produces [open quotes]dissociative anaesthesia.[close quotes] Ketamine provides adequate surgical anesthesia and is used alone in humans and/or combination with xylazine, an [alpha][sub 2]-adrenergic agonist in animals. It produces CNS depression, analgesia, amnesia, immobility and a feeling of dissociation from the environment. Ketamine is a non-competitive antagonist of the NMDA subset of the glutamate receptor. This perhaps results in an increase in neuronal activity leading to disorganization of normal neurotransmission and produces dissociative anesthetic state. Because it is different from most other anesthetics, ketamine may be expected to have a unique effect on brain biochemical parameters and enzymes. The purpose of this study was to examine the interactions between cadmium and ketamine on the central nervous system and ATPase, in an attempt to further understand the mechanism of action. 12 refs., 3 figs.

  12. Luminescent properties of Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} and its potential application in white light emitting diodes

    SciTech Connect (OSTI)

    Wang, Zhijun; Li, Panlai; Li, Ting; Zhang, Xing; Li, Qingxuan; Yang, Zhiping; Guo, Qinglin

    2013-06-01

    Graphical abstract: Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} phosphor can be effectively excited by an ultraviolet and near-ultraviolet light, and produce a bright blue emission centered at 436 nm. The CIE chromaticity coordinations (x, y) of Na{sub 2}CaSiO{sub 4}:Eu{sup 2+}(NSCE)/Li{sub 2}SrSiO{sub 4}:Eu{sup 2+}(LSSE) vary with the molar ratio of the two constituents. When NSCE/LSSE is 1:3, the CIE chromaticity coordination is (0.332, 0.346), which is close to that of the natural sunlight (0.33, 0.33). The results indicate that Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} may be a promising blue phosphor for UV chip-based multi-phosphor converted white light emitting diodes. Highlights: ? Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} shows the blue emission with a peak at 436 nm and broad excitation band in the UV/n-UV range. ? White light with CIE coordinates (0.332, 0.346) is generated by mixing the blue phosphor with the Li{sub 2}SrSiO{sub 4}:Eu{sup 2+} yellow phosphor. ? Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} would be a promising blue phosphor candidate for UV chip-based multi-phosphor converted white LEDs. - Abstract: A novel blue phosphor Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} is synthesized by a high temperature solid-state reaction, and its luminescent properties are systematically studied. Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} can be effectively excited by the 354 nm radiation, and create blue emission (436 nm). The emission intensity of Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} is influenced by the Eu{sup 2+} doping content, and the optimal doping content is 1.5%, and the concentration quenching mechanism of Eu{sup 2+} in Na{sub 2}CaSiO{sub 4} can be attributed to the multipolar interaction. The white light with CIE coordinates (0.332, 0.346) is generated by mixing the blue phosphor Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} with the yellow phosphor Li{sub 2}SrSiO{sub 4}:Eu{sup 2+}. The results indicate that Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} may be a potential blue emitting phosphor for UV chip-based multi

  13. U.S. Natural Gas Citygate Price (Dollars per Thousand Cubic Feet)

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

    Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 1973 NA NA NA NA NA NA NA NA NA NA NA NA 1974 NA NA NA NA NA NA NA NA NA NA NA NA 1975 NA NA NA NA NA NA NA NA NA NA NA NA 1976 NA NA NA NA NA NA NA NA NA NA NA NA 1977 NA NA NA NA NA NA NA NA NA NA NA NA 1978 NA NA NA NA NA NA NA NA NA NA NA NA 1979 NA NA NA NA NA NA NA NA NA NA NA NA 1980 NA NA NA NA NA NA NA NA NA NA NA NA 1981 NA NA NA NA NA NA NA NA NA NA NA NA 1982 NA NA NA NA NA NA NA NA NA NA NA NA 1983 NA NA NA NA NA NA NA NA NA 3.97

  14. Photodetachment and electron reactivity in 1-methyl-1-butyl-pyrrolidinium bis(trifluoromethylsulfonyl)amide

    SciTech Connect (OSTI)

    Molins i Domenech, Francesc; FitzPatrick, Benjamin; Healy, Andrew T.; Blank, David A.

    2012-07-21

    The transient absorption spectrum in the range 500 nm-1000 nm was measured with ultrafast time resolution on a flowing neat, aliphatic, room-temperature ionic liquid following anion photodetachment. In this region the spectrum was shown to be a combination of absorption from the electron and the hole. Spectrally-resolved electron quenching determined a bimodal shape for the hole spectrum in agreement with recent computational predictions on a smaller aliphatic ionic liquid [Margulis et al., J. Am. Chem. Soc. 133, 20186 (2011)]. For time delays beyond 15 ps, spectral evolution qualitatively agrees with recent radiolysis experiments [Wishart et al., Faraday Discuss. 154, 353 (2012)]. However, the shape of the spectrum is different, reflecting the contrast in ionization energy between the two methods. Previously unobserved reactivity of the electron was found with a time constant of 300 fs. The results demonstrate solvent control of the rate coefficient for reaction between the electron and proton, with a rapid decline in the rate within the first picosecond.

  15. Interaction of low-expansion NZP ceramics with Na{sub 2}SO{sub 4} at 1000{degrees}C

    SciTech Connect (OSTI)

    Lee, W.Y.; Stinton, D.P.; Joslin, D.L.

    1996-06-01

    The interaction between several low-expansion NZP materials and Na{sub 2}SO{sub 4} at 1000{degrees}C in pure O{sub 2} was studied. Ba{sub 1.25}Zr{sub 4}P{sub 5.5}Si{sub 0.5}O{sub 24} experienced extensive cracking and delamination upon reaction with Na{sub 2}SO{sub 4}. On the other hand, Ca{sub 0.5}Sr{sub 0.5}Zr{sub 4}P{sub 6}O{sub 24} remained intact in terms of visual appearance, and had no significant weight loss or gain. However, the ion exchange between Na{sup +} ions and Ca{sup +2} ions was observed to be sufficiently rapid to allow the penetration of the Na{sup +} ions into the test specimens in 100 h. The segregation of Ca to the specimen surface was observed due to the ion exchange. Ca{sub 0.6}Mg{sub 0.4}Zr{sub 4}P{sub 6}O{sub 24} was also tested, but its stability could not properly be assessed because the as-received specimens contained a significant amount of MgZr{sub 4}P{sub 6}O{sub 24} as an impurity phase.

  16. Prototype Tests for the Recovery and Conversion of UF6Chemisorbed in NaF Traps for the Molten Salt Reactor Remediation Project

    SciTech Connect (OSTI)

    Del Cul, G.D.

    2000-06-07

    The remediation of the Molten Salt Reactor Experiment (MSRE) site includes the removal of about 37 kg of uranium. Of that inventory, about 23 kg have already been removed from the piping system and chemisorbed in 25 NaF traps. This material is being stored in Building 3019. The planned recovery of {approx}11 kg of uranium from the fuel salt will generate another 15 to 19 NaF traps. The remaining 2 to 3 kg of uranium are present in activated charcoal beds, which are also scheduled to be removed from the reactor site. Since all of these materials (NaF traps and the uranium-laden charcoal) are not suitable for long-term storage, they will be converted to a chemical form [uranium oxide (U{sub 3}O{sub 8})], which is suitable for long-term storage. This document describes the process that will be used to recover and convert the uranium in the NaF traps into a stable oxide for long-term storage. Included are a description of the process, equipment, test results, and lessons learned. The process was developed for remote operation in a hot cell. Lessons learned from the prototype testing were incorporated into the process design.

  17. Prototype Tests for the Recovery and Conversion of UF6 Chemisorbed in NaF Traps for the Molten Salt Reactor Remediation Project

    SciTech Connect (OSTI)

    Del Cul, G.D.; Icenhour, A.S.; Simmons, D.W.

    2000-04-01

    The remediation of the Molten Salt Reactor Experiment (MSRE) site includes the removal of about 37 kg of uranium. Of that inventory, about 23 kg have already been removed from the piping system and chemisorbed in 25 NaF traps. This material is being stored in Building 3019. The planned recovery of -11 kg of uranium from the fuel salt will generate another 15 to 19 NaF traps. The remaining 2 to 3 kg of uranium are present in activated charcoal beds, which are also scheduled to be removed from the reactor site. Since all of these materials (NaF traps and the uranium-laden charcoal) are not suitable for long-term storage, they will be converted to a chemical form [uranium oxide], which is suitable for long-term storage. This document describes the process that will be used to recover and convert the uranium in the NaF traps into a stable oxide for long-term storage. Included are a description of the process, equipment, test results, and lessons learned. The process was developed for remote operation in a hot cell. Lessons learned from the prototype testing were incorporated into the process design.

  18. Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe?(MoO?)?

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

    Yue, Ji -Li; Zhou, Yong -Ning; Shi, Si -Qi; Shadike, Zulipiya; Huang, Xuan -Qi; Luo, Jun; Yang, Zhen -Zhong; Li, Hong; Gu, Lin; Yang, Xiao -Qing; et al

    2015-03-06

    The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe?(MoO?)? electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na? and Li?, respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe?(MoO?)? and the one by one Na occupation (pseudo-continuous occupation) at 8d sites inmorepartially sodiated Fe?(MoO?)? are obtained during the discharge processes of Li/Fe?(MoO?)? and Na/Fe?(MoO?)? cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.less

  19. Synthesis, structural and electrical properties of a new cobalt arsenate NaCo{sub 2}As{sub 3}O{sub 10}

    SciTech Connect (OSTI)

    Ben Smida, Y.; Marzouki, R.; Guesmi, A.; Georges, S.; Zid, M.F.

    2015-01-15

    The title compound sodium dicobalt triarsenate NaCo{sub 2}As{sub 3}O{sub 10} has been synthesized by solid state reaction. Crystal structure and electrical properties were studied by X-ray diffraction and complex impedance spectroscopy, respectively. The obtained structural model is supported by charge-distribution (CHARDI) analysis and bond-valence-sum (BVS) validations tools. The structure (triclinic, P−1, a=6.800 (8) Å, b=7.816 (9) Å, c=8.718 (3) Å, α=108.03 (2)°, β=108.48 (3)°, γ=100.11 (2)°) can be described as a three-dimensional framework resulted from corner-connection between cobalt metallic chains running along [−110] and As{sub 3}O{sub 10} groups; the negative charge is balanced by Na{sup +} ions which house the two tunnels parallel to a and b axes. Ball milling was used as mechanical means to reduce the particles sizes of the synthesized powder. At the optimal sintering temperature of 650 °C, 85% of the relative density was obtained. The conductivity measurements show that NaCo{sub 2}As{sub 3}O{sub 10} is a cationic conductor with an activation energy of 0.48 eV and a conductivity of σ=1.2×10{sup −5} S cm{sup −1} at 310 °C. The BVS model is extended to simulate the ionic migration pathways of alkali cations in the anionic framework. - Graphical abstract: 1D pathways link Na atoms along the a-axis with bond valence mismatch |ΔV(Na)|=0.64 v.u. - Highlights: • A new single crystal NaCo{sub 2}As{sub 3}O{sub 10} was grown by solid state reaction and its structure determined by single-crystal X-ray diffraction. • The purity of the powder sample was verified by Rietveld refinement. • The CIS measurements were optimized and the obtained spectra were fitted by electrical equivalent circuits. • The conduction pathways for Na{sup +} cations are simulated by means of the bond valence sum model.

  20. Theoretical prediction of the fundamental properties for the ternary Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6}

    SciTech Connect (OSTI)

    Ghebouli, M.A.; Choutri, H.; Bouarissa, N.; Ghebouli, B.; Bouhemadou, A.; Department of Physics and Astronomy, College of Science, King Saud University, PO Box 2455, Riyadh 11451 ; Soyalp, F.; Ucgun, E.; Ocak, H.Y.

    2012-12-15

    Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} are good candidate for hydrogen storage. The structural, elastic, electronic and optical properties of Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} compounds have been investigated using pseudo-potential plane-wave method based on the density functional theory. Computed lattice constant and H atom positional parameter at equilibrium agree well with the available experimental data. A quadratic pressure dependence of the elastic stiffness is found. A set of isotropic elastic parameters and related properties, namely bulk and shear moduli, Young's modulus, Poisson's ratio, average sound velocity and Debye temperature are numerically estimated in the framework of the Voigt-Reuss-Hill approximation for Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} polycrystalline aggregate. The analyses of the band structure indicates that Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} are indirect gap semiconductors. The static dielectric constant and static refractive index are inversely proportional to the fundamental gap. Highlights: Black-Right-Pointing-Pointer We predict elastic moduli, energy gaps and optical parameters. Black-Right-Pointing-Pointer Electron effective mass is anisotropic. Black-Right-Pointing-Pointer Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} are indirect gap semiconductors. Black-Right-Pointing-Pointer The contribution to the optical spectra from main transitions are predicted.

  1. {gamma}-Radiolysis of NaCl Brine in the Presence of UO{sub 2}(s): Effects of Hydrogen and Bromide

    SciTech Connect (OSTI)

    Metz, Volker; Bohnert, Elke; Kelm, Manfred; Schild, Dieter; Kienzler, Bernhard

    2007-07-01

    A concentrated NaCl solution was {gamma}-irradiated in autoclaves under a pressure of 25 MPa. A set of experiments were conducted in 6 mol (kg H{sub 2}O){sup -1} NaCl solution in the presence of UO{sub 2}(s) pellets; in a second set of experiments, {gamma}-radiolysis of the NaCl brine was studied without UO{sub 2}(s). Hydrogen, oxygen and chlorate were formed as long-lived radiolysis products. Due to the high external pressure, all radiolysis products remained dissolved. H{sub 2} and O{sub 2} reached steady state concentrations in the range of 5.10{sup -3} to 6.10{sup -2} mol (kg H{sub 2}O){sup -1} corresponding to a partial gas pressure of {approx}2 to {approx}20 MPa. Radiolytic formation of hydrogen and oxygen increased with the concentration of bromide added to solution. Both, in the presence of bromide, resulting in a relatively high radiolytic yield, and in the absence of bromide surfaces of the UO{sub 2}(s) samples were oxidized, and concentration of dissolved uranium reached the solubility limit of the schoepite / NaUO{sub 2}O(OH)(cr) transition. At the end of the experiments, the pellets were covered by a surface layer of a secondary solid phase having a composition close to Na{sub 2}U{sub 2}O{sub 7}. The experimental results demonstrate that bromide counteracts an H{sub 2} inhibition effect on radiolysis gas production, even at a concentration ratio of [H{sub 2}] / [Br{sup -}] > 100. The present observations are related to the competitive reactions of OH radicals with H{sub 2}, Br{sup -} and Cl{sup -}. A similar competition of hydrogen and bromide, controlling the yield of {gamma}-radiolysis products, is expected for solutions of lower Cl{sup -} concentration. (authors)

  2. Influence of O-Co-O layer thickness on the thermal conductivity of Na{sub x}Co{sub 2}O{sub 4} studied by positron annihilation

    SciTech Connect (OSTI)

    Li, H. Q.; Zhao, B.; Zhang, T.; Li, X. F.; He, H. F.; Chen, Z. Q.; Su, X. L.; Tang, X. F.

    2015-07-21

    Nominal stoichiometric Na{sub x}Co{sub 2}O{sub 4} (x = 1.0, 1.2, 1.4, 1.6, 1.8, and 2.0) polycrystals were synthesized by a solid-state reaction method. They were further pressed into pellets by the spark plasma sintering. The crystal structure and morphology of Na{sub x}Co{sub 2}O{sub 4} samples were characterized by X-ray diffraction and scanning electron microscopy measurements. Good crystallinity and layered structures were observed for all the samples. Positron annihilation measurements were performed for Na{sub x}Co{sub 2}O{sub 4} as a function of Na content. Two lifetime components are resolved. τ{sub 1} is attributed mainly to positron annihilation in the O-Co-O layers and shifts to Na layers only in the H3 phase. The second lifetime τ{sub 2} is due to positron annihilation in vacancy clusters which may exist in the Na layers or grain boundary region. The size of vacancy clusters grow larger but their concentration decreases with increasing Na content in the range of 1.0 < x < 1.8. The thickness of O-Co-O layer also shows continuous increase with increasing Na content, which is reflected by the increase of τ{sub 1}. The thermal conductivity κ, on the other hand, shows systematic decrease with increasing Na content. This suggests that the increasing spacing of O-Co-O layer could effectively reduce the thermal conductivity of Na{sub x}Co{sub 2}O{sub 4}.

  3. Using GC-FID to Quantify the Removal of 4-sec-Butylphenol from NGS Solvent by NaOH

    SciTech Connect (OSTI)

    Sloop, Jr., Frederick V.; Moyer, Bruce A.

    2014-12-01

    A caustic wash of the solvent used in the Next-Generation Caustic-Side Solvent Extraction (NG-CSSX) process was found to remove the modifier breakdown product 4-sec-butylphenol (SBP) with varying efficiency depending on the aqueous NaOH concentration. Recent efforts at ORNL have aimed at characterizing the flowsheet chemistry and reducing the technical uncertainties of the NG-CSSX process. One technical uncertainty has been the efficacy of caustic washing of the solvent for the removal of lipophilic anions, in particular, the efficient removal of SBP, an important degradation product of the solvent modifier, Cs-7SB. In order to make this determination, it was necessary to develop a sensitive and reliable analytical technique for the detection and quantitation of SBP. This report recounts the development of a GC-FID-based (Gas Chromatography Flame Ionization Detection) technique for analyzing SBP and the utilization of the technique to subsequently confirm the ability of the caustic wash to efficiently remove SBP from the Next Generation Solvent (NGS) used in NG-CSSX. In particular, the developed technique was used to monitor the amount of SBP removed from a simple solvent and the full NGS by contact with sodium hydroxide wash solutions over a range of concentrations. The results show that caustic washing removes SBP with effectively the same efficiency as it did in the original Caustic-Side Solvent Extraction (CSSX) process.

  4. Laboratory Test Report for Fujitsu 12RLS and Mitsubishi FE12NA Mini-Split Heat Pumps

    SciTech Connect (OSTI)

    Winkler, J.

    2011-09-01

    Mini-split heat pumps are being proposed as a new retrofit option to replace resistance heating in the Pacific Northwest. NREL has previously developed a field test protocol for mini-split systems to ensure consistent results from field tests. This report focuses on the development of detailed system performance maps for mini-split heat pumps so that the potential benefits of mini-split systems can be accurately analyzed for different climate regions and housing types. This report presents laboratory test results for two mini-split heat pumps. Steady-state heating and cooling performance for the Fujitsu 12RLS and Mitsubishi FE12NA was tested under a wide range of outdoor and indoor temperatures at various compressor and fan speeds. Cycling performance for each unit was also tested under both modes of operation. Both systems performed quite well under low loads and the experimental test data aligned with manufacturer reported values. Adequate datasets were attained to promote performance modeling of these two systems in the future.

  5. Boron uptake in tumors, cerebrum and blood from [10B]NA4B24H22S2

    DOE Patents [OSTI]

    Slatkin, Daniel N.; Micca, Peggy L.; Fairchild, Ralph G.

    1988-08-02

    A stable boronated (.sup.10 B-labeled) compound, sodium mercaptoundecahydrododecaborate is infused in the form of the disulfide dimer, [.sup.10 B]Na.sub.4 B.sub.24 H.sub.22 S.sub.2, at a dose of about 200 .mu.g .sup.10 B per gm body weight. The infusion is performed into the blood or peritoneal cavity of the patient slowly over a period of many days, perhaps one week or more, at the rate of roughly 1 .mu.g .sup.10 B per gm body weight per hour. Use of this particular boronated dimer in the manner or similarly to the manner so described permits radiotherapeutically effective amounts of boron to accumulate in tumors to be treated by boron neutron capture radiation therapy and also permits sufficient retention of boron in tumor after the cessation of the slow infusion, so as to allow the blood concentration of .sup.10 B to drop or to be reduced artificially to a radiotherapeutically effective level, less than one-half of the concentration of .sup.10 B in the tumor.

  6. Boron uptake in tumors, cerebrum and blood from [10B]NA4B24H22S2

    DOE Patents [OSTI]

    Slatkin, Daniel N.; Micca, Peggy L.; Fairchild, Ralph G.

    1988-01-01

    A stable boronated (.sup.10 B-labeled) compound, sodium mercaptoundecahydrododecaborate is infused in the form of the disulfide dimer, [.sup.10 B]Na.sub.4 B.sub.24 H.sub.22 S.sub.2, at a dose of about 200 .mu.g .sup.10 B per gm body weight. The infusion is performed into the blood or peritoneal cavity of the patient slowly over a period of many days, perhaps one week or more, at the rate of roughly 1 .mu.g .sup.10 B per gm body weight per hour. Use of this particular boronated dimer in the manner or similarly to the manner so described permits radiotherapeutically effective amounts of boron to accumulate in tumors to be treated by boron neutron capture radiation therapy and also permits sufficient retention of boron in tumor after the cessation of the slow infusion, so as to allow the blood concentration of .sup.10 B to drop or to be reduced artificially to a radiotherapeutically effective level, less than one-half of the concentration of .sup.10 B in the tumor.

  7. Preparation, catalysis, and characterization of highly dispersed molybdenum sulfide catalysts supported on a NaY zeolite

    SciTech Connect (OSTI)

    Okamoto, Yasuaki; Katsuyama, Hiromoto [Osaka Univ., Toyonaka, Osaka (Japan)] [Osaka Univ., Toyonaka, Osaka (Japan)

    1996-06-01

    The structure and dispersion of the molybdenum sulfides supported on a NaY zeolite were studied using XAFS techniques. It was found that molybdenum sulfide species prepared by sulfiding vapor deposited Mo(CO){sub 6} or by sulfiding molybdenum oxide dimer species encaged in the zeolite are highly dispersed and thermally stabilized against sintering or restructuring. These molybdenum species are formed via molybdenum sulfide dimer species as an intermediate. On the other hand, with the molybdenum sulfide catalysts prepared by an impregnation method, the sulfidation of molybdenum oxides was incomplete. The molybdenum oxide species are suggested to be mainly located in the zeolite cavities after calcination, forming isolated molybdenum oxides in tetrahedral configurations. The molybdenum sulfide species prepared from Mo(CO){sub 6} showed much higher catalytic activities for thiophene hydrodesulfurization and butadiene hydrogenation than the molybdenum sulfides prepared by the impregnation, in conformity with a higher dispersion and higher fraction of the molybdenum sulfide species. It is demonstrated that in combination with metal carbonyl techniques, zeolite supports are very suitable for the preparation of highly dispersed molybdenum sulfides at a high Mo loading.

  8. Study the performance of photogalvanic cells for solar energy conversion and storage: Rose Bengal-D-Xylose-NaLS system

    SciTech Connect (OSTI)

    Gangotri, K.M.; Bhimwal, Mahesh Kumar

    2010-07-15

    The Rose Bengal is used as photosensitizer with D-Xylose as reductant and sodium lauryl sulphate (NaLS) as surfactant for the enhancement of the conversion efficiency and storage capacity of photogalvanic cell for its commercial viability. The observed value of the photogeneration of photopotential was 885.0 mV and photocurrent was 460.0 {mu}A whereas maximum power of the cell was 407.10 {mu}W. The observed power at power point was 158.72 {mu}W and the conversion efficiency was 1.52%. The fill factor 0.3151 was experimentally determined at the power point of the cell. The rate of initial generation of photocurrent was 63.88 {mu}A min{sup -1}. The photogalvanic cell so developed can work for 145.0 min in dark on irradiation for 165.0 min, i.e. the storage capacity of the photogalvanic cell is 87.87%. A simple mechanism for the photogeneration of photocurrent has also been proposed. (author)

  9. Coordinated role of voltage-gated sodium channels and the Na{sup +}/H{sup +} exchanger in sustaining microglial activation during inflammation

    SciTech Connect (OSTI)

    Hossain, Muhammad M.; Sonsalla, Patricia K.; Richardson, Jason R.

    2013-12-01

    Persistent neuroinflammation and microglial activation play an integral role in the pathogenesis of many neurological disorders. We investigated the role of voltage-gated sodium channels (VGSC) and Na{sup +}/H{sup +} exchangers (NHE) in the activation of immortalized microglial cells (BV-2) after lipopolysaccharide (LPS) exposure. LPS (10 and 100 ng/ml) caused a dose- and time-dependent accumulation of intracellular sodium [(Na{sup +}){sub i}] in BV-2 cells. Pre-treatment of cells with the VGSC antagonist tetrodotoxin (TTX, 1 μM) abolished short-term Na{sup +} influx, but was unable to prevent the accumulation of (Na{sup +}){sub i} observed at 6 and 24 h after LPS exposure. The NHE inhibitor cariporide (1 μM) significantly reduced accumulation of (Na{sup +}){sub i} 6 and 24 h after LPS exposure. Furthermore, LPS increased the mRNA expression and protein level of NHE-1 in a dose- and time-dependent manner, which was significantly reduced after co-treatment with TTX and/or cariporide. LPS increased production of TNF-α, ROS, and H{sub 2}O{sub 2} and expression of gp91{sup phox}, an active subunit of NADPH oxidase, in a dose- and time-dependent manner, which was significantly reduced by TTX or TTX + cariporide. Collectively, these data demonstrate a closely-linked temporal relationship between VGSC and NHE-1 in regulating function in activated microglia, which may provide avenues for therapeutic interventions aimed at reducing neuroinflammation. - Highlights: • LPS causes immediate increase in sodium through VGSC and subsequently through the NHE-1. • Inhibition of VGSC reduces increases in NHE-1 and gp91{sup phox}. • Inhibition of VGSC and NHE-1 reduces NADPH oxidase-mediated Tnf-α, ROS, and H{sub 2}O{sub 2} production. • NHE-1 and Na{sub v}1.6 may be viable targets for therapeutic interventions to reduce neuroinflammation in neurodegenerative disease.

  10. Unique edge-sharing sulfate-transition metal coordination in Na{sub 2}M(SO{sub 4}){sub 2} (M=Ni and Co)

    SciTech Connect (OSTI)

    Fry, Allyson M.; Sweeney, Owen T.; Adam Phelan, W.; Drichko, Natalia; Siegler, Maxime A.; McQueen, Tyrel M.

    2015-02-15

    Two compounds, Na{sub 2}Ni(SO{sub 4}){sub 2} and Na{sub 2}Co(SO{sub 4}){sub 2}, were synthesized and their structure and properties were characterized. They adopt a structure that contains a bidentate coordination of sulfate to the transition metal center, which was determined via single crystal X-ray diffraction combined with model refinements to both laboratory X-ray and time-of-flight neutron powder diffraction data. The compounds were both found to crystallize in the C2/c space group with Z=24 and a unit cell of a=23.3461(3) Å, b=10.3004(1) Å, c=17.4115(2) Å, β=98.8659(9)°, and V=4136.99(8) Å{sup 3} for the cobalt analog and a=23.2253(1) Å, b=10.26155(6) Å, c=17.3353(1) Å, β=99.0376(5)°, and V=4080.20(5) Å{sup 3} for the nickel analog. Magnetization measurements show that the transition metal centers have negligible interactions with neighboring sites. Infrared and Raman spectroscopies were used to further probe the unique sulfate-transition metal coordination, and confirm the bidentate binding motif. The resulting pseudo-trigonal bipyramidal coordination produces vivid violet, Na{sub 2}Co(SO{sub 4}){sub 2}, and yellow, Na{sub 2}Ni(SO{sub 4}){sub 2}, colors that were probed by diffuse reflectance. - Graphical abstract: Two blue distorted transition metal octahedra (oxygen in red) bridged by two sulfate tetrahedra are shown here. Each bridging sulfate tetrahedra shares an edge with one octahedron and a corner with the other. All of the remaining corners of the octahedra are corner sharing with four tetrahedra forming a polyhedral network. - Highlights: • Structure of Na2Ni(SO4)2 and Na2Co(SO4)2 is determined. • Unique sulfate-transition metal binding observed in the new structure. • Combined diffraction and spectroscopic techniques were used. • Magnetization measurements show negligible interactions between sites.

  11. Preparation of NaGdS{sub 2} via thermolysis of Gd[S{sub 2}CN(C{sub 4}H{sub 8})]{sub 3}-phen complexes and sodium diethyldithiocarbamate mixtures

    SciTech Connect (OSTI)

    Luo, Xixian; Ma, Lubin; Xing, Mingming; Fu, Yao; Zhou, Xiaolin; Sun, Min

    2013-05-15

    Highlights: ► We adopt a new and simple thermolysis method to synthesise NaGdS{sub 2} compounds. ► The obtained NaGdS{sub 2} presents a microrod morphology with a length diameter ratio of 2.1. ► NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm). ► The route may be used for the synthesis of other AREX{sub 2}-based materials or nanocrystals. - Abstract: A novel, simple thermolysis method is adopted to prepare alkali metal rare earth ternary sulphide NaGdS{sub 2} using Gd(S{sub 2}CNEt{sub 2}){sub 3-}phen complexes and NaS{sub 2}CNEt{sub 2}·3H{sub 2}O mixtures as precursors in a nitrogen atmosphere at 600–1000 °C. The obtained NaGdS{sub 2} presents a microrod morphology with an average diameter of 112 nm, average length of 236 nm, and length diameter ratio of 2.1. Furthermore, the as-prepared NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm) and may be an ideal IR window material.

  12. Fuel Ethanol Oxygenate Production

    Gasoline and Diesel Fuel Update (EIA)

    Product: Fuel Ethanol Methyl Tertiary Butyl Ether Merchant Plants Captive Plants Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day Download Series History Download Series History Definitions, Sources & Notes Definitions, Sources & Notes Show Data By: Product Area Jan-16 Feb-16 Mar-16 Apr-16 May-16 Jun-16 View History U.S. 30,319 28,678 30,812 28,059 30,228 30,258 1981-2016 East Coast (PADD 1) 641 698 804 725 734

  13. California's Move Toward E10 (released in AEO2009)

    Reports and Publications (EIA)

    2009-01-01

    In Annual Energy Outlook 2009, (AEO) E10a gasoline blend containing 10% ethanolis assumed to be the maximum ethanol blend allowed in California erformulated gasoline (RFG), as opposed to the 5.7% blend assumed in earlier AEOs. The 5.7% blend had reflected decisions made when California decided to phase out use of the additive methyl tertiary butyl ether in its RFG program in 2003, opting instead to use ethanol in the minimum amount that would meet the requirement for 2.0% oxygen content under the Clean Air Act provisions in effect at that time.

  14. Oxygenate Supply/Demand Balances in the Short-Term Integrated Forecasting Model (Released in the STEO March 1998)

    Reports and Publications (EIA)

    1998-01-01

    The blending of oxygenates, such as fuel ethanol and methyl tertiary butyl ether (MTBE), into motor gasoline has increased dramatically in the last few years because of the oxygenated and reformulated gasoline programs. Because of the significant role oxygenates now have in petroleum product markets, the Short-Term Integrated Forecasting System (STIFS) was revised to include supply and demand balances for fuel ethanol and MTBE. The STIFS model is used for producing forecasts in the Short-Term Energy Outlook. A review of the historical data sources and forecasting methodology for oxygenate production, imports, inventories, and demand is presented in this report.

  15. MTBE, Oxygenates, and Motor Gasoline (Released in the STEO October 1999)

    Reports and Publications (EIA)

    1999-01-01

    The blending of methyl tertiary butyl ether (MTBE) into motor gasoline has increased dramatically since it was first produced 20 years ago. MTBE usage grew in the early 1980's in response to octane demand resulting initially from the phaseout of lead from gasoline and later from rising demand for premium gasoline. The oxygenated gasoline program stimulated an increase in MTBE production between 1990 and 1994. MTBE demand increased from 83,000 in 1990 to 161,000 barrels per day in 1994. The reformulated gasoline (RFG) program provided a further boost to oxygenate blending. The MTBE contained in motor gasoline increased to 269,000 barrels per day by 1997.

  16. The reaction mechanism of SnSb and Sb thin film anodes for Na-ion batteries studied by X-ray diffraction, 119Sn and 121Sb Mössbauer spectroscopies

    SciTech Connect (OSTI)

    Baggetto, Loïc; Hah, Hien-Yoong; Jumas, Jean-Claude; Johnson, Charles E.; Johnson, Jacqueline A.; Keum, Jong K.; Bridges, Craig A.; Veith, Gabriel M.

    2014-06-01

    The electrochemical reaction of Sb and SnSb anode materials with Na results in the formation of amorphous materials. To understand the resulting phases and electrochemical capacities we studied the reaction products local order using 119Sn and 121Sb Mössbauer spectroscopies in conjunction with measurements performed on model powder compounds of Na-Sn and Na-Sb to further clarify the reactions steps. For pure Sb the discharge (sodiation) starts with the formation of an amorphous phase composed of atomic environments similar to those found in NaSb, and proceeds further by the formation of environments similar to that present in Na3Sb. The reversible reaction takes place during a large portion of the charge process. At full charge the anode material still contains a substantial fraction of Na, which explains the lack of recrystallization into crystalline Sb. The reaction of SnSb yields Na3Sb crystalline phase at full discharge at higher temperatures (65 and 95°C) while the room temperature reaction yields amorphous compounds. The electrochemically-driven, solid-state amorphization reaction occurring at room temperature is governed by the simultaneous formation of Na-coordinated Sn and Sb environments, as monitored by the decrease (increase) of the 119Sn (121Sb) Mössbauer isomer shifts. Overall, the monitoring of the hyperfine parameters enables to correlate the changes in Na content to the individual Sn and Sb local chemical environments.

  17. Effect of acute treatment with cadmium on ethanol anesthesia, body termperature, and synaptosomal Na/sup +/-K/sup +/-ATPase of rat brain

    SciTech Connect (OSTI)

    Magour, S.; Kristof, V.; Baumann, M.; Assmann, G.

    1981-12-01

    The effect of a single intraperitoneal dose of 0.56, 1.12, and 1.68 mg cadmium/kg on the duration of ethanol-induced sleep was investigated in male rats. Cadmium potentiated ethanol sleeping time in a dose dependent manner up to 300% over controls. No significant difference in the elimination rate of ethanol from blood and brain and observed between control and cadmium-pretreated rats. Cadmium slightly inhibited the hepatic alcohol dehydrogenase in vivo and also potentiated ethanol hypothermia but these changes did not play a significant role in the observed prolongation of ethanol sleeping time. However, cadmium and ethanol additively inhibited brain synaptosomal Na/sup +/-K/sup +/-ATPase in a noncompetitive manner. The results so far indicate that cadmium may increase brain responsiveness toward ethanol partly through inhibition of snaptosomal Na/sup +/-K/sup +/-ATPase.

  18. (Ca,Na)(Zn,Mn){sub 2}As{sub 2}: A new spin and charge doping decoupled diluted ferromagnetic semiconductor

    SciTech Connect (OSTI)

    Zhao, K.; Chen, B. J.; Deng, Z.; Zhao, G. Q.; Zhu, J. L.; Liu, Q. Q.; Wang, X. C.; Han, W.; Frandsen, B.; Liu, L.; Cheung, S.; Uemura, Y. J.; Ning, F. L.; Munsie, T. J. S.; Medina, T.; Luke, G. M.; Carlo, J. P.; Munevar, J.; Zhang, G. M.; Jin, C. Q.

    2014-10-28

    Here, we report the successful synthesis of a spin- and charge-decoupled diluted magnetic semiconductor (DMS) (Ca,Na)(Zn,Mn){sub 2}As{sub 2}, crystallizing into the hexagonal CaAl{sub 2}Si{sub 2} structure. The compound shows a ferromagnetic transition with a Curie temperature up to 33?K with 10% Na doping, which gives rise to carrier density of n{sub p}???10{sup 20?}cm{sup ?3}. The new DMS is a soft magnetic material with H{sub C}?

  19. Ferroelectric domain structures in <001>-oriented K{sub 0.15}Na{sub 0.85}NbO{sub 3} lead-free single crystal

    SciTech Connect (OSTI)

    Chen, Yan; Wong, Chi-Man; Yau, Hei-Man; Dai, Jiyan; Deng, Hao; Luo, Haosu; Wang, Danyang; Yan, Zhibo; Chan, Helen L. W.

    2015-03-15

    In this work, ferroelectric domain structures of <001 >-oriented K{sub 0.15}Na{sub 0.85}NbO{sub 3} single crystal are characterized. Transmission electron microscopy (TEM) observation revealed high-density of laminate domain structures in the crystal and the lattices of the neighboring domains are found to be twisted in a small angle. Superlattice diffraction spots of 1/2 (eeo) and 1/2 (ooe) in electron diffraction patterns are observed in the crystal, revealing the a{sup +}a{sup +}c{sup −} tilting of oxygen octahedral in the perovskite structure. The piezoresponse of domains and in-situ poling responses of K{sub 0.15}Na{sub 0.85}NbO{sub 3} crystal are observed by piezoresponse force microscopy (PFM), and the results assure its good ferroelectric properties.

  20. Immobilization of sodium-bearing high-level radioactive waste in synroc containing (Na{sub 0.5}Nd{sub 0.5})TiO{sub 3}-type perovskite

    SciTech Connect (OSTI)

    Li, L.; Luo, S.; Tang, B.; Wang, D.

    1997-01-01

    This study on the immobilization of high-sodium-bearing HLW in synroc indicates that (Na{sub 0.5}Nd{sub 0.5})TiO{sub 3}-type perovskite can be used to incorporate a high content of sodium in synroc. Synroc samples containing 13.0 wt% waste oxide and 5.7 wt% Na{sub 2}O show very well chemical durability and physical properties. The standard Synroc-C formulation can incorporate only 2 wt% Na{sub 2}O, so this study greatly improved the immobilization ability of sodium in Synroc-related material.

  1. Catalytic distillation process

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Bellaire, TX)

    1982-01-01

    A method for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C.sub.4 feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

  2. EPA`s proposed renewable oxygenate requirement (ROR): Pros and cons

    SciTech Connect (OSTI)

    Czeskleba, H.M.

    1995-12-31

    In December 1993, the US Environmental Protection Agency (EPA) released its final rule that sets for the details for requirements to sell reformulated gasoline (RFG) in certain ozone non-attainment areas. At the same time, EPA also issued a proposed rule to require that 30% of the oxygen required in RFG be based on a renewable oxygenate. Renewables include ethanol and its ether derivatives such as ethyl tertiary butyl ether (ETBE). The RFG rule is a final rule, while the Renewable Oxygenate Requirement (ROR) rule is a proposed rule yet to be finalized and subject to revision. Included in this paper are brief reviews of Ashland petroleum Company`s ethanol usage, oxygenated fuel and reformulated gasoline blending economics, and some comments on the EPA proposed renewable oxygenate requirement.

  3. Catalytic distillation process

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1982-06-22

    A method is described for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C[sub 4] feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

  4. Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃

    SciTech Connect (OSTI)

    Yue, Ji-Li; Zhou, Yong-Ning; Shi, Si-Qi; Shadike, Zulipiya; Huang, Xuan-Qi; Luo, Jun; Yang, Zhen-Zhong; Li, Hong; Gu, Lin; Yang, Xiao-Qing; Fu, Zheng-Wen

    2015-03-06

    The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe₂(MoO₄)₃ electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na⁺ and Li⁺, respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe₂(MoO₄)₃ and the one by one Na occupation (pseudo-continuous occupation) at 8d sites in partially sodiated Fe₂(MoO₄)₃ are obtained during the discharge processes of Li/Fe₂(MoO₄)₃ and Na/Fe₂(MoO₄)₃ cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.

  5. Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃

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

    Yue, Ji-Li; Zhou, Yong-Ning; Shi, Si-Qi; Shadike, Zulipiya; Huang, Xuan-Qi; Luo, Jun; Yang, Zhen-Zhong; Li, Hong; Gu, Lin; Yang, Xiao-Qing; et al

    2015-03-06

    The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe₂(MoO₄)₃ electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na⁺ and Li⁺, respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe₂(MoO₄)₃ and the one by one Na occupation (pseudo-continuous occupation) at 8d sites inmore » partially sodiated Fe₂(MoO₄)₃ are obtained during the discharge processes of Li/Fe₂(MoO₄)₃ and Na/Fe₂(MoO₄)₃ cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.« less

  6. Scintillation properties and electronic structure of the intrinsic and extrinsic mixed elpasolites Cs2 Na RBr3I3 (R = La, Y)

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

    Wei, Hua; Du, Mao -Hua; Stand, Luis; Zhao, Zhao; Zhuravleva, Mariya; Melcher, Charles L.; Shi, Hongliang

    2016-02-19

    Scintillators attract wide research interest for their distinct applications in radiation detection. Elpasolite halides are among the most promising scintillators due to their high structural symmetry and good scintillation performance. A better understanding of their underlying scintillation mechanism opens up possibilities in scintillator development. In this work, we employ a variety of experimental techniques to study the two mixed-anion elpasolites Cs2NaRBr3I3 (R = La, Y). The emission of intrinsic Cs2NaRBr3I3 with a light yield ranging from 20 000 to 40 000 ph / MeV is dominant by self-trapped exciton emission. Partial substitution of R with Ce introduces a competing emission,more » the Ce3+ 5d-to-4f radiative transition. Ab initio calculations are performed to investigate the electronic structures as well as the binding energies of polarons in Cs2NaRBr6. The calculated large self-trapped exciton binding energies are consistent with the observed high light yield due to self-trapped exciton (STE) emission. The unique electronic structure of halide elpasolites as calculated enhances the STE stability and the STE emission. The highly tunable scintillation properties of mixed-anion elpasolites underscore the role of their complex scintillation mechanism. Furthermore, our study provides guidance for the design of elpasolite scintillators with exceptional energy resolution and light yield desirable for applications.« less

  7. Scintillation properties and electronic structure of the intrinsic and extrinsic mixed elpasolites Cs2 Na REBr3I3 (R = La, Y)

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

    Wei, Hua; Du, Mao -Hua; Stand, Luis; Zhao, Zhao; Zhuravleva, Mariya; Melcher, Charles L.; Shi, Hongliang

    2016-02-19

    Scintillators attract wide research interest for their distinct applications in radiation detection. Elpasolite halides are among the most promising scintillators due to their high structural symmetry and good scintillation performance. A better understanding of their underlying scintillation mechanism opens up possibilities in scintillator development. In this work, we employ a variety of experimental techniques to study the two mixed-anion elpasolites Cs2 Na REBr3I3 (R = La, Y). The emission of intrinsic Cs2Na RBr3I3 with a light yield ranging from 20 000 to 40 000 ph / MeV is dominant by self-trapped exciton emission. Partial substitution of R with Ce introducesmore » a competing emission, the Ce3+ 5d-to-4f radiative transition. Ab initio calculations are performed to investigate the electronic structures as well as the binding energies of polarons in Cs2 Na RBr6. The calculated large self-trapped exciton binding energies are consistent with the observed high light yield due to self-trapped exciton (STE) emission. The unique electronic structure of halide elpasolites as calculated enhances the STE stability and the STE emission. The highly tunable scintillation properties of mixed-anion elpasolites underscore the role of their complex scintillation mechanism. Furthermore, our study provides guidance for the design of elpasolite scintillators with exceptional energy resolution and light yield desirable for applications.« less

  8. Effects of Mg doping on the remarkably enhanced electrochemical performance of Na3V2(PO4)3 cathode materials for sodium ion batteries

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

    Li, Hui; Yu, Xiqian; Bai, Ying; Wu, Feng; Wu, Chuan; Liu, Liang-Yu; Yang, Xiao-Qing

    2015-01-01

    Na3V2-xMgx(PO4)3/C composites with different Mg2+ doping contents (x=0, 0.01, 0.03, 0.05, 0.07 and 0.1) were prepared by a facile sol-gel method. The doping effects on the crystal structure were investigated by XRD, XPS and EXAFS. The results show that low dose doping Mg2+ does not alter the structure of the material, and magnesium is successfully substituted for vanadium site. The Mg doped Na3V2-xMgx(PO4)3/C composites exhibit significant improvements on the electrochemistry performances in terms of the rate capability and cycle performance, especially for the Na3V1.95Mg0.05(PO4)3/C. For example, when the current density increased from 1 C to 30 C, the specific capacitymore » only decreased from 112.5 mAh g-1 to 94.2 mAh g-1 showing very good rate capability. Moreover, even cycling at a high rate of 20 C, an excellent capacity retention of 81% is maintained from the initial value of 106.4 mAh g-1 to 86.2 mAh g-1 at the 50th cycle. Enhanced rate capability and cycle performance can be attributed to the optimized particle size, structural stability and enhanced ionic and electronic conductivity induced by Mg doping.« less

  9. Pitting and crevice corrosion potentials of solar panel stainless steels in seawater and 0. 6M NaCl

    SciTech Connect (OSTI)

    Felloni, L.; Fratesi, R.; Ruggeri, O.; Sambogna, G.

    1985-03-01

    The cyclic potentiokinetic polarization method (scanning rate 10 mV/min), starting at the free corrosion potential and going up to 100 ..mu..A/cm/sup 2/ (surface area), and microscopic observation o the surface were used to evaluate the susceptibility of commercial stainless steels to localized corrosion for their possible application in solar panels. Aerated and deaerated solutions of 0.6M NaCl and seawater at room temperature were used. Considering the average value of the pitting potential obtained in numerous tests, the following stability classification was established for the materials studied: 430 < 430 Nb < 304 < 304L < ELI (C) less than or equal to 316 < ELI (D) The appearance of morphological differences in pits on the same material and the presence of cavernous pits, detectable after light abrasion of the surface or in a cross section of the sample made their quantification and a determination of any definite relation between surface defects (segregations and/or microflaws) and passive film breakdown susceptibility very difficult. Crevice corrosion could occur under free corrosion conditions, especially in the presence of air, and it was detectable from potential oscillations. The crevice potential is not estimated with the same technique used to determine pitting potential because of the strong effect of the critical shield geometry; it is therefore suggested that the redox couple K/sub 4/Fe(CN)/sub 6/ - K/sub 3/Fe(CN)/sub 6/, in suitable concentration in the system being considered, can give useful indications of this potential. Indeed, the rapid precipitation of Turnbull's blue physically prevents the repassivation process at the electrode potential established by the redox couple.

  10. DOE/NA-0027

    National Nuclear Security Administration (NNSA)

    7 2015 Stewardship Science Academic Programs Annual  Stewardship Science Academic Alliances  High Energy Density Laboratory Plasmas  National Laser Users' Facility  Predictive Science Academic Alliance Program II On the Cover High energy density plasma deflagrations from a coaxial gun form highly concentrated dense plasma jets used to study first-wall fusion reactor science. - Photo courtesy of Dr. Mark Cappelli, Stanford University (see page 18). This report was prepared as an

  11. DOE/NA-0038

    National Nuclear Security Administration (NNSA)

    38 2016 Stewardship Science Academic Programs Annual  Stewardship Science Academic Alliances  High Energy Density Laboratory Plasmas  National Laser Users' Facility  Predictive Science Academic Alliance Program II On the Cover This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, nor any of their contractors, subcontractors or their employees,

  12. DOE/NA-0038

    National Nuclear Security Administration (NNSA)

    ... Development, Test, and Evaluation National Nuclear Security Administration Welcome from the Assistant Deputy Administrator for Research, Development, Test, and Evaluation ...

  13. NA Department of Energy

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

    99352 Dear Ms. Leckband: This letter is in response to Hanford AdvisorylBoard (I ll) consensus advice fi 199, Costs and Baseline Schedules, and to your letter of February...

  14. 20Na.PDF

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

  15. 20Na_78.PDF

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

  16. Pressure induced phase transformations in NaZr{sub 2}(PO{sub 4}){sub 3} studied by X-ray diffraction and Raman spectroscopy

    SciTech Connect (OSTI)

    Kamali, K.; Ravindran, T.R.; Chandra Shekar, N.V.; Pandey, K.K.; Sharma, S.M.

    2015-01-15

    Raman spectroscopic and x-ray diffraction measurements on NaZr{sub 2}(PO{sub 4}){sub 3} were carried out up to 30 GPa at close intervals of pressure, revealing two structural phase transformations around 5 and 6.6 GPa. The second phase at 5.4 GPa is indexed to R3 space group similar to that of RbTi{sub 2}(PO{sub 4}){sub 3}. Bulk modulus decreases abruptly from 53 GPa (B′=4) to 36 GPa (B′=4) in the second phase above 5 GPa. The structure of the phase III at 8.2 GPa is indexed as orthorhombic similar to the case of high temperature phase of monoclinic LiZr{sub 2}(PO{sub 4}){sub 3}. Bulk modulus of this phase III is found to be 65 GPa (B′=4), which is higher than that of the ambient phase. In high pressure Raman studies, modes corresponding to 72 and 112 cm{sup −1} soften in the ambient phase whereas around 5 GPa, the ones at 60, 105, 125 and 190 cm{sup −1} soften with pressure contributing negatively to overall thermal expansion. - Graphical abstract: High pressure study of NaZr{sub 2}(PO{sub 4}){sub 3} shows a reversible phase transition from R-3c to R3 structure at 5 GPa accompanied by an increase in compressibility signaling a polyhedral tilt transition. - Highlights: • NaZr{sub 2}(PO{sub 4}){sub 3} undergoes two reversible phase transitions at 5 and 6.7 GPa. • The transition at 5 is from rhombohedral R-3c to R3 structure. • Bulk modulus of NaZr{sub 2}(PO{sub 4}){sub 3} is lower than that for the isostructural RbTi{sub 2}(PO{sub 4}){sub 3.} • Compressibility increases with substitution of a smaller cation (Na). • Zr-translational and PO{sub 4} librational modes contribute to phase transition.

  17. Experimental Determination of Phase Equilibria in the System H{sub 2}O-CO{sub 2}-NaCl at 0.5 Kb from 500 to 800C

    SciTech Connect (OSTI)

    Anovitz, L.M.

    2001-01-09

    An understanding of activity-composition (a/X) relations and phase equilibria for halite-bearing, mixed-species supercritical fluids is critically important to many geological and industrial applications. The authors have performed experiments on the phase equilibria of H{sub 2}O-CO{sub 2}-NaCl fluids from 500 C to 800 C at 500 bars, conditions of significant importance in studies of magma-hydrothermal systems, geothermal reservoirs and some ore deposits, to obtain highly accurate and precise data for this ternary system. These experiments are conducted using a double capsule technique. An excess of NaCl is placed in an inner Pt capsule, which is crimped shut and placed in an outer capsule containing H{sub 2}O and CO{sub 2}. During the experiment NaCl dissolves out of the inner capsule, and is deposited in the outer capsule during the quench. After the experiment the capsule is opened, and the amount of NaCl remaining in the inner capsule determined by dissolution. The difference between the initial and final amounts of NaCl in the inner capsule yields the solubility of NaCl at the P-T conditions of the experiment. At 500 C data from these experiments suggest that the vapor comer of the three-phase field lies near X(H{sub 2}O) = 0.760, X(NaCl) = 0.065, which is a significantly more water-rich composition than suggested by previous models. As expected, increasing temperature increases the solubility of NaCl in the NaCl-vapor field. For example, at intermediate H{sub 2}O/CO{sub 2} ratios the vapor field extends from approximately near X(H{sub 2}O) = 0.66, X(NaCl) = 0.06 at 500 C to near X(H{sub 2}O) = 0.65, X(NaCl) = 0.08 at 600 C.

  18. NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} core/shell nanocomposite: A highly efficient visible-light-driven photocatalyst utilizing upconversion

    SciTech Connect (OSTI)

    Sun, Yuanyuan; Wang, Wenzhong Sun, Songmei; Zhang, Ling

    2014-04-01

    Highlights: Design and synthesis of NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} based on upconversion. NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} nanocomposite was prepared for the first time. Coreshell structure benefits the properties. Upconversion contributed to the enhanced photocatalytic activity. Helps to understand the functionality of new type photocatalysts. - Abstract: NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} core/shell nanocomposite was designed and prepared for the first time based on upconversion. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution TEM (HRTEM), energy dispersive X-ray spectroscopy (EDS) and diffuse reflectance spectra (DRS). The results revealed that the as-synthesized NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} consisted of spheres with a core diameter of about 26 nm and a shell diameter of around 6 nm. The core was upconversion illuminant NaYF{sub 4}:Er,Yb and the shell was Bi{sub 2}MoO{sub 6} around the core, which was confirmed by EDS. The NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} exhibited higher photocatalytic activity for the photodecomposition of Rhodamine B (RhB) under the irradiation of Xe lamp and green light emitting diode (g-LED). The mechanism of the high photocatalytic activity was discussed by photoluminescence spectra (PL), which is mainly attributed to upconversion of NaYF{sub 4}:Er,Yb in the NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} nanocomposite and the coreshell structure.

  19. Influence of structural distortions upon photoluminescence properties of Eu{sup 3+} and Tb{sup 3+} activated Na{sub 3}Ln(BO{sub 3}){sub 2} (Ln=Y, Gd) borates

    SciTech Connect (OSTI)

    Asiri Naidu, S.; Boudin, S.; Varadaraju, U.V.; Raveau, B.

    2012-06-15

    The comparative study of the structure and photoluminescence (PL) properties of the Eu{sup 3+} and Tb{sup 3+} activated Na{sub 3}Ln(BO{sub 3}){sub 2}, with Ln=Y, Gd, showed the important role of the host lattice structure upon PL. Higher emission intensities of Eu{sup 3+} and Tb{sup 3+} are observed for Na{sub 3}Gd(BO{sub 3}){sub 2} than for Na{sub 3}Y(BO{sub 3}){sub 2}, through direct Eu{sup 3+} excitation at 395 nm for Eu{sup 3+} doped borates, and through Gd{sup 3+} excitation around 280 nm for Tb{sup 3+} doped borates. This higher performance for Na{sub 3}Gd(BO{sub 3}){sub 2} is due to the less regular environment of Eu{sup 3+} (Tb{sup 3+}) in the Gd sites than in the Y sites and to energy transfer from Gd{sup 3+} to Eu{sup 3+}(Tb{sup 3+}). The smaller critical concentration in Na{sub 3}Ln{sub 1-x}Tb{sub x}(BO{sub 3}){sub 2} observed for Ln=Gd, x=0.5, compared to x=0.6 for Ln=Y, is explained by shorter Ln-Ln distances (4.11 A for Gd-Gd vs. 4.59 A for Y-Y). Both Na{sub 3}Y{sub 0.4}Tb{sub 0.6}(BO{sub 3}){sub 2} and Na{sub 3}Gd{sub 0.5}Tb{sub 0.5}(BO{sub 3}){sub 2} show intense green emission under UV excitation. - Graphical abstract: The PL properties of Eu{sup 3+} and Tb{sup 3+} are studied in Na{sub 3}Ln(BO{sub 3}){sub 2} (Ln=Y, Gd) borates. Eu{sup 3+} and Tb{sup 3+}exhibits higher emission intensity in Na{sub 3}Gd(BO{sub 3}){sub 2} compared to Na{sub 3}Y(BO{sub 3}){sub 2} due to the less regular environment of the Gd{sup 3+} ion. Energy transfer from Gd{sup 3+} to Tb{sup 3+} is observed. Highlights: Black-Right-Pointing-Pointer Crystal structure of Na{sub 3}Gd(BO{sub 3}){sub 2} by X-ray powder diffraction. Black-Right-Pointing-Pointer Photoluminescence properties of Eu{sup 3+} and Tb{sup 3+} doped Na{sub 3}Ln(BO{sub 3}){sub 2} (Ln=Y, Gd). Black-Right-Pointing-Pointer Higher Eu{sup 3+} and Tb{sup 3+} emission for Na{sub 3}Gd(BO{sub 3}){sub 2} due to an irregular environment of Gd{sup 3+}. Black-Right-Pointing-Pointer Higher Eu{sup 3+} and Tb{sup 3+} emission

  20. Hierarchical Na-doped cubic ZrO{sub 2} synthesis by a simple hydrothermal route and its application in biodiesel production

    SciTech Connect (OSTI)

    Lara-Garca, Hugo A.; Romero-Ibarra, Issis C.; Pfeiffer, Heriberto

    2014-10-15

    Hierarchical growth of cubic ZrO{sub 2} phase was successfully synthesized via a simple hydrothermal process in the presence of different surfactants (cationic, non-ionic and anionic) and sodium hydroxide. The structural and microstructural characterizations of different ZrO{sub 2} powders were performed using various techniques, such as X-ray diffraction, transmission electron microscopy, N{sub 2} adsorptiondesorption, scanning electron microscopy and infrared. Results indicated that sodium addition stabilized the cubic ZrO{sub 2} phase by a Na-doping process, independently of the surfactant used. In contrast, microstructural characteristics varied as a function of the surfactant and sodium presence. In addition, water vapor (H{sub 2}O) and carbon dioxide (CO{sub 2}) sorption properties were evaluated on ZrO{sub 2} samples. Results evidenced that sample surface reactivity changed as a function of the sodium content. Finally, this surface reactivity was evaluated on the biodiesel transesterification reaction using the different synthesized samples, obtaining yields of 93%. - Graphical abstract: Hierarchical growth of cubic Na-ZrO{sub 2} phase was synthesized by hydrothermal processes in the presence of surfactants and sodium. Sodium addition stabilized the cubic phase by a Na-doping process, while the microstructural characteristics varied with surfactants. Finally, this surface reactivity was evaluated on the biodiesel transesterification reaction. - Highlights: Cubic-ZrO{sub 2} phase was synthesized via a simple hydrothermal process. ZrO{sub 2} structure and microstructures changed as a function of the surfactant. Cubic-ZrO{sub 2} phase was evaluated on the biodiesel transesterification reaction.