National Library of Energy BETA

Sample records for butyl ether butane

  1. Accurate Computer Simulation of Phase Equilibrium for Complex Fluid Mixtures. Application to Binaries Involving Isobutene, Methanol, Methyl tert-Butyl Ether, and

    E-Print Network [OSTI]

    Lisal, Martin

    to Binaries Involving Isobutene, Methanol, Methyl tert-Butyl Ether, and n-Butane Martin Li´sal,*,, William R + methyl tert-butyl ether (MTBE) and the binaries formed by methanol with isobutene, MTBE, and n

  2. Control Study of Ethyl tert-Butyl Ether Reactive Distillation Muhammad A. Al-Arfaj

    E-Print Network [OSTI]

    Al-Arfaj, Muhammad A.

    -butyl ether (ETBE) for gasoline blending as a replacement for methyl tert-butyl ether (MTBE) because and be blended with ETBE in the gasoline pool. Even for neat operation, if the conversion is low, the unconverted

  3. 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.

  4. IDENTIFYING THE USAGE PATTERNS OF METHYL TERT-BUTYL ETHER (MTBE) AND OTHER OXYGENATES IN GASOLINE USING GASOLINE

    E-Print Network [OSTI]

    IDENTIFYING THE USAGE PATTERNS OF METHYL TERT-BUTYL ETHER (MTBE) AND OTHER OXYGENATES IN GASOLINE USING GASOLINE SURVEYS By Michael J. Moran, Rick M. Clawges, and John S. Zogorski U.S. Geological Survey 1608 Mt. View Rapid City, SD 57702 Methyl tert-butyl ether (MTBE) is commonly added to gasoline

  5. Whole-Genome Analysis of Methyl tert-Butyl Ether-Degrading Beta-Proteobacterium Methylibium petroleiphilum PM1

    E-Print Network [OSTI]

    2007-01-01

    Sato, and N. Kato. 2003. Propane monooxygenase and NAD + -alcohol dehydrogenase in propane metabolism by Gordonia sp.tert-butyl ether by propane-grown Mycobacterium vaccae JOB5.

  6. 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.

  7. Ethyl-tertiary-butyl-ether (ETBE) as an aviation fuel: Eleventh international symposium on alcohol fuels

    SciTech Connect (OSTI)

    Maben, G.D.; Shauck, M.E.; Zanin, M.G.

    1996-12-31

    This paper discusses the preliminary flight testing of an aircraft using neat burning ethyl-tertiary-butyl-ether (ETBE) as a fuel. No additional changes were made to the fuel delivery systems which had previously been modified to provide the higher fuel flow rates required to operate the engine on neat ethanol. Air-fuel ratios were manually adjusted with the mixture control. This system allows the pilot to adjust the mixture to compensate for changes in air density caused by altitude, pressure and temperature. The engine was instrumented to measure exhaust gas temperatures (EGT), cylinder head temperatures (CHT), and fuel flows, while the standard aircraft instruments were used to collect aircraft performance data. Baseline engine data for ETBE and Avgas are compared. Preliminary data indicates the technical and economic feasibility of using ETBE as an aviation fuel for the piston engine fleet. Furthermore, the energy density of ETBE qualifies it as a candidate for a turbine engine fuel of which 16.2 billion gallons are used in the US each year.

  8. Low-temperature superacid catalysis: Reactions of n-butane catalyzed by iron- and manganese-promoted sulfated zirconia

    SciTech Connect (OSTI)

    Cheung, T.K.; D`Itri, J.L.; Gates, B.C.

    1995-02-01

    Environmental concerns are leading to the replacement of aromatic hydrocarbons in gasoline with high-octane-number branched paraffins and oxygenated compounds such as methyl t-butyl ether, which is produced from methanol and isobutylene. The latter can be formed from n-butane by isomerization followed by dehydrogenation. To meet the need for improved catalysts for isomerization of n-butane and other paraffins, researchers identified solid acids that are noncorrosive and active at low temperatures. Sulfated zirconia catalyzes the isomerization of n-butane even at 25{degrees}C, and the addition of Fe and Mn promoters increases its activity by three orders of magnitude. Little is known about this new catalyst. Here the authors provide evidence of its performance for n-butane conversion, demonstrating that isomerization is accompanied by disproportionation and other, less well understood, acid-catalyzed reactions and undergoes rapid deactivation associated with deposition of carbonaceous material. 10 refs., 3 figs.

  9. Methyl tert-butyl ether (MTBE) is a volatile organic com-pound (VOC) derived from natural gas that is added to gas-

    E-Print Network [OSTI]

    Methyl tert-butyl ether (MTBE) is a volatile organic com- pound (VOC) derived from natural gas Water in Urban and Agricultural Areas made from methanol, which is derived primarily from natural gas that is added to gas- oline either seasonally or year round in many parts of the United States to increase

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

    SciTech Connect (OSTI)

    Bonventre, Josephine A., E-mail: josephine.bonventre@oregonstate.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States); Oregon State University, Department of Environmental and Molecular Toxicology, 1011 Agricultural and Life Sciences Bldg, Corvallis, OR 97331 (United States); Kung, Tiffany S., E-mail: tiffany.kung@rutgers.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States); White, Lori A., E-mail: lawhite@aesop.rutgers.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States); Cooper, Keith R., E-mail: cooper@aesop.rutgers.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States)

    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-induced vascular lesions. • Inhibiting PHD or knocking down VHL rescues MTBE-induced vascular lesions. • HIF1-Vegf driven angiogenesis is a target for MTBE vascular toxicity.

  11. Normal butane/iso-butane separation

    SciTech Connect (OSTI)

    Volles, W.K.; Cusher, N.A.

    1986-08-26

    This patent describes an improved pressure swing adsorption process for the separation of iso-butane from normal butane in an adsorption system having at least three adsorbent beds, each bed of which undergoes, on a cyclic basis and a processing sequence comprising: introducing a feed gas mixture of iso-butane and normal butane at an upper adsorption pressure to the feed end of the bed capable of selectively adsorbing normal butane as the more selectivity adsorbable component of the gas mixture. The iso-butane as the less readily adsorbable component passes through the bed and is discharged from the discharge end. The feed gas introduction is continued as a normal butane adsorption front is formed in the bed and passes through the bed from the feed end and breaks through at the discharge end of the bed, a portion of the iso-butane effluent stream thus discharged being diverted for passage as purge gas to another bed in the system; and countercurrently depressurizing the bed with release of gas from the feed end.

  12. Efficient Energy Usage in Butane Splitters 

    E-Print Network [OSTI]

    Barnwell, J.; Morris, C. P.

    1982-01-01

    A World surplus of mixed butanes coupled with an increased need for gasoline extenders has raised the demand for isobutane. Isobutane is readily separated from an admixture with normal butane by conventional distillation techniques. However...

  13. Emissions with butane/propane blends

    SciTech Connect (OSTI)

    1996-11-01

    This article reports on various aspects of exhaust emissions from a light-duty car converted to operate on liquefied petroleum gas and equipped with an electrically heated catalyst. Butane and butane/propane blends have recently received attention as potentially useful alternative fuels. Butane has a road octane number of 92, a high blending vapor pressure, and has been used to upgrade octane levels of gasoline blends and improve winter cold starts. Due to reformulated gasoline requirements for fuel vapor pressure, however, industry has had to remove increasing amounts of butane form the gasoline pool. Paradoxically, butane is one of the cleanest burning components of gasoline.

  14. A study of the kinetics and mechanism of the adsorption and anaerobic partial oxidation of n-butane over a vanadyl pyrophosphate catalyst

    SciTech Connect (OSTI)

    Sakakini, B.H.; Taufiq-Yap, Y.H.; Waugh, K.C.

    2000-01-25

    The interaction of n-butane with a ((VO){sub 2}P{sub 2}O{sub 7}) catalyst has been investigated by temperature-programmed desorption and anaerobic temperature-programmed reaction. n-Butane has been shown to adsorb on the (VO){sub 2}P{sub 2}O{sub 7} to as a butyl-hydroxyl pair. When adsorption is carried out at 223 K, upon temperature programming some of the butyl-hydroxyl species recombine resulting in butane desorption at 260 K. However, when adsorption is carried out at 423 K, the hydroxyl species of the butyl-hydroxyl pair migrate away from the butyl species during the adsorption, forming water which is detected in the gas phase. Butane therefore is not observed to desorb at 260 K after the authors lowered the temperature to 223 K under the butane/helium from the adsorption temperature of 423 K prior to temperature programming from that temperature to 1100 K under a helium stream. Anaerobic temperature-programmed oxidation of n-butane produces butene and butadiene at a peak maximum temperature of 1000 K; this is exactly the temperature at which, upon temperature programming, oxygen evolves from the lattice and desorbs as O{sub 2}. This, and the fact that the amount of oxygen desorbing from the (VO){sub 2}P{sub 2}O{sub 7} at {approximately}1000 K is the same as that required for the oxidation of the n-butane to butene and butadiene, strongly suggests (1) that lattice oxygen as it emerges at the surface is the selective oxidant and (2) that its appearance at the surface is the rate-determining step in the selective oxidation of n-butane. The surface of the (VO){sub 2}P{sub 2}O{sub 7} catalyst on which this selective oxidation takes place has had approximately two monolayers of oxygen removed from it by unselective oxidation of the n-butane to CO, CO{sub 2}, and H{sub 2}O between 550 and 950 K and has had approximately one monolayer of carbon deposited on it at {approximately}1000 K. It is apparent, therefore, that the original crystallography of the (VO){sub 2}P{sub 2}O{sub 7} catalyst will not exist during this selective oxidation and that theories that relate selectivity in partial oxidation to the (100) face of the (VO){sub 2}P{sub 2}O{sub 7} catalyst cannot apply in this case.

  15. Ignition properties of n-butane and iso-butane in a rapid compression machine

    SciTech Connect (OSTI)

    Gersen, S.; Darmeveil, J.H.; Mokhov, A.V.; Levinsky, H.B.

    2010-02-15

    Autoignition delay times of n-butane and iso-butane have been measured in a Rapid Compression Machine in the temperature range 660-1010 K, at pressures varying from 14 to 36 bar and at equivalence ratios {phi} = 1.0 and {phi} = 0.5. Both butane isomers exhibit a negative-temperature-coefficient (NTC) region and, at low temperatures, two-stage ignition. At temperatures below {proportional_to}900 K, the delay times for iso-butane are longer than those for the normal isomer, while above this temperature both butanes give essentially the same results. At temperatures above {proportional_to}720 K the delay times of the lean mixtures are twice those for stoichiometric compositions; at T < 720 K, the equivalence ratio is seen to have little influence on the ignition behavior. Increasing the pressure from 15 bar to 30 bar decreases the amplitude of the NTC region, and reduces the ignition delay time for both isomers by roughly a factor of 3. In the region in which two-stage ignition is observed, 680-825 K, the duration of the first ignition stage decreases sharply in the range 680-770 K, but is essentially flat above 770 K. Good quantitative agreement is found between the measurements and calculations for n-butane using a comprehensive model for butane ignition, including both delay times in the two-stage region, with substantial differences being observed for iso-butane, particularly in the NTC region. (author)

  16. New butane isomerization unit is unvieled by Andrews Petroleum

    SciTech Connect (OSTI)

    McWilliams, H.

    1990-06-01

    This article discusses the development of a butane isomerization unit which will help reduce butane surplus by fractionating it into other LPG products. Other features of this California project increase on-site storage.

  17. Firing Excess Refinery Butane in Peaking Gas Turbines 

    E-Print Network [OSTI]

    Pavone, A.; Schreiber, H.; Zwillenberg, M.

    1989-01-01

    normal butane production, which will reduce refinery normal butane value and price. Explored is an opportunity for a new use for excess refinery normal butane- as a fuel for utility peaking gas turbines which currently fire kerosene and #2 oil. Our paper...

  18. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    E-Print Network [OSTI]

    Mendes, SD; Redmond, MC; Voigritter, K; Perez, C; Scarlett, R; Valentine, DL

    2015-01-01

    Arp, D. J. (1999), Butane metabolismby butane-grown ‘Pseudomonas butanovora’, Microbiology, 145(ethane, propane and butane, Geochim. Cosmochim. Acta, 71,

  19. Distillation efficiencies of an industrial-scale i-butane/n-butane fractionator

    SciTech Connect (OSTI)

    Klemola, K.T.; Ilme, J.K.

    1996-12-01

    Rarely published industrial-scale distillation efficiency data are presented. The Murphree tray efficiencies are determined from the i-butane/n-butane fractionator performance data. Point efficiencies, numbers of overall vapor phase transfer units, numbers of vapor and liquid phase transfer units, and liquid phase resistances of mass transfer are backcalculated from the Murphree tray efficiencies. Various efficiency prediction and scale-up methods have been tested against experimental results. A new model for the prediction of the numbers of vapor and liquid phase transfer units has been developed. The model can be applied to hydrocarbon systems at high pressure. The influence of the mass-transfer coefficients, the interfacial area, and the vapor and liquid residence times on mass transfer has been analyzed separately, and as a result the NTU correlations for vapor and liquid phases are obtained. The constants of the model can be obtained by fitting the model to experimental efficiency data from a similar system.

  20. Coupling of oxidative dehydrogenation and aromatization reactions of butane

    SciTech Connect (OSTI)

    Xu, Wen-Qing; Suib, S.L. )

    1994-01-01

    Coupling of oxidative dehydrogenation and aromatization of butane by using a dual function catalyst has led to a significant enhancement of the yields (from 25 to 40%) and selectivities to aromatics (from 39 to 64%). Butane is converted to aromatics by using either zinc-promoted [Ga]-ZSM-5 or zinc and gallium copromoted [Fe]-ZSM-5 zeolite as a catalyst. However, the formation of aromatics is severely limited by hydrocracking of butane to methane, ethane, and propane due to the hydrogen formed during aromatization reactions. On the other hand, the oxidative dehydrogenation of butane to butene over molybdate catalysts is found to be accompanied by a concurrent undesirable reaction, i.e., total oxidation. When two of these reactions (oxidative dehydrogenation and aromatization of butane) are coupled by using a dual function catalyst they have shown to complement each other. It is believed that the rate-limiting step for aromatization (butane to butene) is increased by adding an oxidative dehydrogenation catalyst (Ga-Zn-Mg-Mo-O). The formation of methane, ethane, and propane was suppressed due to the removal of hydrogen initially formed as water. Studies of ammonia TPD show that the acidities of [Fe]-ZSM-5 are greatly affected by the existence of metal oxides such as Ga[sub 2]O[sub 3], MgO, ZnO, and MoO[sub 3]. 40 refs., 9 figs., 1 tab.

  1. Biofiltration control of VOC emissions: Butane and benzene

    SciTech Connect (OSTI)

    Allen, E.R.

    1995-12-31

    Laboratory studies were conducted on the biological elimination of n-butane and benzene from air streams using activated sludge-treated compost biofilters. Four types of experimental biofilter systems were developed: a bench scale packed tower system used primarily for kinetic studies; a small scale column system used to study the effects of different filter media on n-butane removal; a three stage system used to study benzene elimination; and a static batch biofilter system used to study the effects of temperature, compost water content, compost pH, and initial benzene concentrations on benzene elimination. Removal efficiencies greater than 90% were obtained for n-butane. Removal followed first order kinetics at inlet concentrations less than 25 ppM n-butane and zero order kinetics above 100 ppM n-butane. Removal of benzene followed fractional order kinetics for inlet concentrations from 15 to 200 ppM benzene. Thus, the removal of benzene is both mass transfer and bioreaction limited for the concentration range studied. The removal efficiency of benzene was found to be highly dependent on compost water content, compost pH, and temperature. Compost showed a low capacity for benzene removal, which suggested that degradation of these hydrocarbons required different species of microorganisms.

  2. Kinetics and deactivation of sulfated zirconia catalysts for butane isomerization

    SciTech Connect (OSTI)

    Fogash, K.B.; Larson, R.B.; Gonzalez, M.R.

    1996-09-15

    Reaction kinetics studies were conducted of n-butane and isobutane isomerization over sulfated zirconia at 423 K. The kinetic data can be described well by a rate expression based on a reversible, bimolecular surface reaction between two adsorbed n-C{sub 4} species, probably through a C{sub 8} intermediate, to produce one i-C{sub 4} species, as well as surface reaction between two adsorbed i-C{sub 4} species to produce one n-C{sub 4} species. This reaction sequence also describes well the rates of C{sub 4}-disproportionation reactions to produce C{sub 3} and C{sub 5} species. The initial rate of catalyst deactivation is faster during n-butane isomerization than during isobutane isomerization, and the longer-term rate of deactivation during n-butane isomerization increases with the pressures of n-butane. The more rapid catalyst deactivation during n-butane isomerization may be related to the formation of n-C{sub 4}-diene species. 25 refs., 10 figs., 4 tabs.

  3. ADSORPTION AND BONDING OF BUTANE AND PENTANE ON THE Pt(111) CRYSTAL SURFACES. EFFECTS OF OXYGEN TREATMENTS AND DEUTERIUM PREADSORPTION

    E-Print Network [OSTI]

    Salmeron, M.

    2012-01-01

    ADSORPTION AND BONDING OF BUTANE AND PENTANE ON THE .Pt(111)ADSORPTION AND BONDING OF BUTANE AND PENTANE ON THE Pt(lll)adsorption characteristics of butane and pentane on the (

  4. Hydrodesulfurization of Thiophene and Benzothiophene to Butane and Ethylbenzene by a Homogeneous Iridium

    E-Print Network [OSTI]

    Jones, William D.

    Hydrodesulfurization of Thiophene and Benzothiophene to Butane and Ethylbenzene by a Homogeneous, in high yields. Upon further thermolysis under H2, the completely desulfurized products, butane examples of complete desulfur- ization to butanes, butenes, or metal alkyls have been reported.4

  5. Raman and IR spectra of butane: Anharmonic calculations and interpretation of room temperature spectra

    E-Print Network [OSTI]

    Potma, Eric Olaf

    Raman and IR spectra of butane: Anharmonic calculations and interpretation of room temperature-principles anharmonic calculations are carried out for the IR and Raman spectra of the CAH stretch- ing bands in butane.V. All rights reserved. 1. Introduction n-Butane is of great importance in several disciplines

  6. Surface Adsorption Isotherms and Surface Excess Densities of n-Butane in Silicalite-1

    E-Print Network [OSTI]

    Kjelstrup, Signe

    Surface Adsorption Isotherms and Surface Excess Densities of n-Butane in Silicalite-1 Isabella 27, 2008. ReVised Manuscript ReceiVed NoVember 13, 2008 We present isotherms for the adsorption of n-butane have thus studied, as a representative example, the adsorption properties of one hy- drocarbon, n-butane

  7. Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal

    E-Print Network [OSTI]

    Truhlar, Donald G

    , and butanal Ewa Papajak, Prasenjit Seal, Xuefei Xu, and Donald G. Truhlar Citation: J. Chem. Phys. 137, 104314 abstraction from 1-butanol, 2-methyl-1-propanol, and butanal Ewa Papajak, Prasenjit Seal, Xuefei Xu- propanol, and butanal. Electronic structure calculations for all conformers of the radicals were car- ried

  8. 934 / JOURNAL OF ENVIRONMENTAL ENGINEERING / OCTOBER 2000 CHLORINATED SOLVENT COMETABOLISM BY BUTANE-GROWN

    E-Print Network [OSTI]

    Semprini, Lewis

    BY BUTANE-GROWN MIXED CULTURE By Young Kim,1 Daniel J. Arp,2 and Lewis Semprini3 ABSTRACT: A survey of aerobic cometabolism of chlorinated aliphatic hydrocarbons by a butane-grown mixed culture was performed and was inhibited by butane and inactivated by acetylene, indicating that a monooxygenase enzyme was likely involved

  9. 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.

  10. Cometabolic transformation of cis-1,2-dichloroethylene and cis-1,2-dichloroethylene epoxide by a butane-

    E-Print Network [OSTI]

    Semprini, Lewis

    by a butane- grown mixed culture Y. Kim* and L. Semprini** *Department of Environmental Engineering, Korea cometabolism of cis-1,2-dichloroethylene (c-DCE) by a butane-grown mixed culture was evaluated in batch kinetic by butane and was inactivated by acetylene (a known monooxygenase inactivator), indicating that a butane

  11. Transient FTIR studies of the reaction pathway for n-butane selective oxidation over vanadyl pyrophosphate

    SciTech Connect (OSTI)

    Xue, Z.Y.; Schrader, G.L.

    1999-05-15

    New information has been provided about the reaction pathway for n-butane partial oxidation to maleic anhydride over vanadyl pyrophosphate (VPO) catalysts using FTIR spectroscopy under transient conditions. Adsorption studies of n-butane, 1,3-butadiene, and related oxygenates were performed to gain information about reaction intermediates. n-Butane was found to adsorb on the VPO catalyst to form olefinic species at low temperatures. Unsaturated, noncyclic carbonyl species were determined to be precursors to maleic anhydride.

  12. Transition Events in Butane Simulations Similarities Across Models

    E-Print Network [OSTI]

    Zuckerman, D M; Zuckerman, Daniel M.; Woolf, Thomas B.

    2001-01-01

    From a variety of long simulations of all-atom butane using both stochastic and fully-solved molecular dynamics, we have uncovered striking generic behavior which also occurs in one-dimensional systems. We find an apparently universal distribution of transition event durations, as well as a characteristic speed profile along the reaction coordinate. An approximate analytic distribution of event durations, derived from a one-dimensional model, correctly predicts the asymptotic behavior of the universal distribution for both short and long durations.

  13. Improving fractionation lowers butane sulfur level at Saudi gas plant

    SciTech Connect (OSTI)

    Harruff, L.G.; Martinie, G.D.; Rahman, A. [Saudi Arabian Oil Co., Dhahran (Saudi Arabia)

    1998-10-12

    Increasing the debutanizer reflux/feed ratio to improve fractionation at an eastern Saudi Arabian NGL plant reduced high sulfur in the butane product. The sulfur resulted from dimethyl sulfide (DMS) contamination in the feed stream from an offshore crude-oil reservoir in the northern Arabian Gulf. The contamination is limited to two northeastern offshore gas-oil separation plants operated by Saudi Arabian Oil Co. (Saudi Aramco) and, therefore, cannot be transported to facilities outside the Eastern Province. Two technically acceptable solutions for removing this contaminant were investigated: 13X molecular-sieve adsorption of the DMS and increased fractionation efficiency. The latter would force DMS into the debutanizer bottoms.

  14. 198 J. Am. Chem. SOC.1994,116, 198-203 Hydrodesulfurization of Thiophene to Butadiene and Butane

    E-Print Network [OSTI]

    Jones, William D.

    198 J. Am. Chem. SOC.1994,116, 198-203 Hydrodesulfurization of Thiophene to Butadiene and Butane. Reaction of the butadiene complex with H2 produces butane. Introduction

  15. Availability of Canadian imports to meet U.S. demand for ethane, propane and butane

    SciTech Connect (OSTI)

    Hawkins, D.J.

    1996-12-31

    Historically, Canada has had a surplus of ethane, propane and butane. Almost all of the available propane and butane in Canadian natural gas streams is recovered. While there is significant ethane recovery in Canada, ethane that cannot be economically sold is left in the gas streams. All of the surplus Canadian ethane and most of the Canadian surplus propane and butane is exported to the US. Some volumes of Canadian propane and butane have been moved offshore by marine exports to the Asia-Pacific region or South America, or directly to Mexico by rail. Essentially all of the Canadian ethane, 86% of the propane and 74% of the butane are recovered by gas processing. Canadian natural gas production has increased significantly over the last 10 years. Canadian gas resources in the Western Canadian Sedimentary Basin should permit further expansion of gas exports, and several gas pipeline projects are pending to expand the markets for Canadian gas in the US. The prospective increase in Canadian gas production will yield higher volumes of ethane, propane and butane. While there is a potential to expand domestic markets for ethane, propane and butane, a significant part of the incremental production will move to export markets. This paper provides a forecast of the expected level of ethane, propane and butane exports from Canada and discusses the supply, demand and logistical developments which may affect export availability from Canada.

  16. 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.

  17. Experimental and DFT studies of initiation processes for butane isomerization over sulfated-zirconia catalysts

    SciTech Connect (OSTI)

    Hong, Z.; Watwe, R.M.; Natal-Santiago, M.A.; Hill, J.M.; Dumesic, J.A.; Fogash, K.B.; Kim, B.; Masqueda-Jimenez, B.I.

    1998-09-10

    Reaction kinetics studies were conducted of isobutane and n-butane isomerization at 423 K over sulfated-zirconia, with the butane feeds purified of olefins. Dihydrogen evolution was observed during butane isomerization over fresh catalysts, as well as over catalysts selectively poisoned by preadsorbed ammonia. Butane isomerization over sulfated-zirconia can be viewed as a surface chain reaction comprised of initiation, propagation, and termination steps. The primary initiation step in the absence of feed olefins is considered to be the dehydrogenation of butane over sulfated-zirconia, generating butenes which adsorb onto acid sites to form protonated olefinic species associated with the conjugate base form of the acid sites. Quantum-chemical calculations, employing density-functional theory, suggest that the dissociative adsorption of dihydrogen, isobutylene hydrogenation, and dissociative adsorption of isobutane are feasible over the sulfated-zirconia cluster, and these reactions take place over Zr-O sites.

  18. Bioaugmentation of butane-utilizing microorganisms to promote cometabolism of 1,1,1-trichloroethane in groundwater microcosms

    E-Print Network [OSTI]

    Semprini, Lewis

    Bioaugmentation of butane-utilizing microorganisms to promote cometabolism of 1,1,1-trichloroethane. The initial inoculum for bioaugmentation was a butane-utilizing enrichment from the subsurface of the Hanford DOE site. The non-augmented microcosm required 80 days of incubation before butane

  19. Catalytic Porous Ceramic Prepared In-Situ by Sol-Gelation for Butane-to-Syngas Processing

    E-Print Network [OSTI]

    Daraio, Chiara

    Catalytic Porous Ceramic Prepared In-Situ by Sol-Gelation for Butane-to-Syngas Processing­1859, 2009 Keywords: catalytic porous ceramic, butane-to-syngas processing, catalytic foam, sol-gelation, Rh containing cat- alytic Rh/ceria/zirconia nanoparticles is tested by its catalytic performance for butane

  20. Ionization of ethane, butane, and octane in strong laser fields

    SciTech Connect (OSTI)

    Palaniyappan, Sasi; Mitchell, Rob; Ekanayake, N.; Watts, A. M.; White, S. L.; Sauer, Rob; Howard, L. E.; Videtto, M.; Mancuso, C.; Wells, S. J.; Stanev, T.; Wen, B. L.; Decamp, M. F.; Walker, B. C.

    2010-10-15

    Strong-field photoionization of ethane, butane, and octane are reported at intensities from 10{sup 14} to 10{sup 17} W/cm{sup 2}. The molecular fragment ions, C{sup +} and C{sup 2+}, are created in an intensity window from 10{sup 14} to 10{sup 15} W/cm{sup 2} and have intensity-dependent yields similar to the molecular fragments C{sub m}H{sub n}{sup +} and C{sub m}H{sub n}{sup 2+}. In the case of C{sup +}, the yield is independent of the molecular parent chain length. The ionization of more tightly bound valence electrons in carbon (C{sup 3+} and C{sup 4+}) has at least two contributing mechanisms, one influenced by the parent molecule size and one resulting from the tunneling ionization of the carbon ion.

  1. The determination of compressibility factors of gaseous butane-nitrogen mixtures in the gas phase 

    E-Print Network [OSTI]

    Evans, Robert Buckner

    1955-01-01

    butane in summer resulting from lowered gasoline volatility and various increasing supply factors will create fuel purchasing opportunities. It was found that in-place propane switching capability among manufacturers could be adapted to absorb all...

  2. Saving Energy and Reducing Emissions from the Regeneration Air System of a Butane Dehydrogenation Plant 

    E-Print Network [OSTI]

    John, T. P.

    1998-01-01

    Texas Petrochemicals operates a butane dehydrogenation unit producing MTBE for reformulated gasoline that was originally constructed when energy was cheap and prior to environmental regulation. The process exhausts 900,000 pounds per hour of air...

  3. Promotion of n-Butane isomerization activity by hydration of sulfated zirconia

    SciTech Connect (OSTI)

    Gonzalez, M.R.; Kobe, J.M.; Fogash, K.B.; Dumesic, J.A.

    1996-05-01

    The effects of sulfated zirconia catalyst hydration on the activity for n-butane isomerization is reported. The catalytic activity of of a partially hydrated catalyst is enhanced. 66 refs., 11 figs.

  4. Improving the stability of H-mordenite for n-butane isomerization

    SciTech Connect (OSTI)

    Asuquo, R.A.; Eder-Mirth, G.; Lercher, J.A.

    1997-06-01

    The conversion of n-butane over mordenite-based catalysts in the presence of hydrogen and water was investigated for reaction temperatures between 523 and 623 K. Special attention was given to the influence of Pt upon catalytic activity, selectivity, and stability. With parent mordenite the catalytic activity for n-butane conversion decreased markedly after a short time on stream. Deactivation can be minimized by hydrogen (in the presence of Pt) and water addition. Both measures are thought to reduce the concentration of intermediate olefins in the zeolite pores. The best results with respect to selective conversion of n-butane to isobutane were obtained for 0.25 wt% Pt on mordenite in the presence of hydrogen. Higher concentrations of Pt in the catalyst are shown to be detrimental for n-butane isomerization, because of increasing selectivity to hydrogenolysis. A detailed mechanistic scheme for n-butane conversion over Pt-containing mordenites is presented. n-Butane conversion is concluded to occur via a bimolecular mechanism involving a complex network of hydrogen transfer, oligomerization/cracking, isomerization, hydrogenation/dehydrogenation, and hydrogenolysis. 23 refs., 14 figs., 5 tabs.

  5. amine methanol, ether . Amine amine CO2

    E-Print Network [OSTI]

    Hong, Deog Ki

    IP [2012] 7 C O 2 (CO2) . CO2 amine methanol, ether . Amine amine CO2 CO2 .Amine CO2 (functional group) amine amine+ +promoter .Amine CO2 CO2 . . , methanol ether methanol, ether promoter CO2 CO2 H2S, COS CO2 . Methanol rectisol process, di-methylene ether polypropylene glycol selexol (-30oC) . CO2

  6. Low temperature n-butane oxidation skeletal mechanism, based on multilevel approach

    SciTech Connect (OSTI)

    Strelkova, M.I.; Sukhanov, L.P.; Kirillov, I.A.; Safonov, A.A.; Umanskiy, S.Ya.; Potapkin, B.V.; Pasman, H.J.; Tentner, A.M.

    2010-04-15

    In order to reconcile an increasingly large deviation (order of magnitude) of the ignition delay time at decreasing initial temperature, computed using the prior art kinetic schemes, with the available experimental values, a new skeletal mechanism (54 species, 94 reactions) for low-temperature (500-800 K) ignition of n- butane in air based on ab initio calculations is developed. The skeletal mechanism obtained accurately reproduces n-butane combustion kinetics for the practically important ranges of pressure, temperature and fuel-air equivalence ratio, especially in the low-temperature range. The elaborated first principal skeletal chemical kinetic mechanism of n-butane oxidation was validated against available experimental results for normal and elevated initial pressure (1-15 atm) using the Chemical Work Bench code. A good agreement with experiments was shown. (author)

  7. Stat 511 MS Exam, Spring 2003 Page 1 of 3 This question concerns several analyses of a small set of data on the operation of a Butane

    E-Print Network [OSTI]

    Vardeman, Stephen B.

    of data on the operation of a Butane Hydrogenolysis Reactor. The response variable percent conversion (cc/sec at STP) feed ratio (Hydrogen/Butane) the reactor wall temperature ( F) flow ratio temp

  8. Treatment of Methyl tert-Butyl Ether Contaminated Water Using a Dense

    E-Print Network [OSTI]

    Dandy, David

    -massspectrometryandgaschromatography-thermal conductivity techniques. A rate law is developed for the removal of MTBE from an aqueous solution in the DMP of water in which alkyl groups have replaced both hydrogen atoms. In fact, the C-O-C bond angle is only, causing nationwide concern. Advanced oxidation technologies (AOTs) are techniques that involve an input

  9. Treatment of Methyl tert-Butyl Ether Vapors in Biotrickling Filters. 1.

    E-Print Network [OSTI]

    byproducts in either the gas or the liquid phase. They also exhibited a very high specific degradation and leaking pipe- lines. In the past few years, several studies have been conducted to determine if natural, ethyl benzene, and xylene (BTEX) plumes, with in most cases no clear signs of natural attenuation (2

  10. Use of ethyl-t-butyl ether (ETBE) as a gasoline blending component

    SciTech Connect (OSTI)

    Shiblom, C.M.; Schoonveld, G.A.; Riley, R.K.; Pahl, R.H.

    1990-01-01

    The U.S. Treasury Department recently ruled that the ethanol blenders tax credit applies to ethanol used to make ETBE for blending with gasoline. As a result, ETBE may soon become a popular gasoline blending component. Like MTBE ETBE adds oxygen to the fuel while contributing to other performance properties of the gasoline. Phillips Petroleum Company has completed limited driveability and material compatibility studies on gasolines containing ETBE and has determined the effect on various performance parameters such as octane, volatility, and distillation of ETBE in gasoline. Levels of ETBE ranging from 0.0 to 23.5 volume percent (3.7 weight percent oxygen) in gasoline were included in the investigation. Use in gasoline is currently limited to only 12.7 volume percent (2.0 weight percent oxygen) by the gasoline substantially similar rule. No detrimental effects of the ETBE on metal or elastomeric parts common to gasoline delivery and fueling system were found. Also, several favorable blending properties of eTBE in gasoline are apparent as compared to either MTBE or ethanol. This paper presents details of these results.

  11. Bioaugmentation with butane-utilizing microorganisms to promote in situ cometabolic treatment of 1,1,1-trichloroethane and 1,1-dichloroethene

    E-Print Network [OSTI]

    Semprini, Lewis

    Bioaugmentation with butane-utilizing microorganisms to promote in situ cometabolic treatment of 1) through bioaugmentation with a butane enrichment culture containing predominantly two Rhodococcus sp of butane and dissolved oxygen and or hydrogen peroxide as sources of dissolved oxygen, about 70% removal

  12. Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal Prasenjit Seal, Ewa Papajak, Tao Yu, and Donald G. Truhlar

    E-Print Network [OSTI]

    Truhlar, Donald G

    Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal Prasenjit Seal, Ewa-body decomposition of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene J. Chem. Phys. 136, and butanal Prasenjit Seal, Ewa Papajak, Tao Yu, and Donald G. Truhlara) Department of Chemistry

  13. Chloroform cometabolism by butane-grown CF8, Pseudomonas butanovora, and Mycobacterium vaccae JOB5 and methane-grown Methylosinus trichosporium

    E-Print Network [OSTI]

    Semprini, Lewis

    Chloroform cometabolism by butane-grown CF8, Pseudomonas butanovora, and Mycobacterium vaccae JOB5 AND ENVIRONMENTAL MICROBIOLOGY 63 (9): 3607-3613 SEP 1997 Abstract: Chloroform (CF) degradation by a butane-grown enrichment culture, CF8, was compared to that by butane-grown Pseudomonas butanovora and Mycobacterium vaccae

  14. Transport coefficients of n-butane into and through the surface of silicalite-1 from non-equilibrium molecular dynamics study

    E-Print Network [OSTI]

    Kjelstrup, Signe

    Transport coefficients of n-butane into and through the surface of silicalite-1 from non dynamics Non-equilibrium thermodynamics Silicalite-1 n-Butane adsorption a b s t r a c t We have studied coupled heat and mass transfer of n-butane through a membrane of silicalite-1. A description

  15. Alternative descriptions of catalyst deactivation in aromatization of propane and butane

    SciTech Connect (OSTI)

    Koshelev, Yu.N.; Vorob`ev, B.L.; Khvorova, E.P.

    1995-08-20

    Deactivation of a zeolite-containing catalyst has been studied in aromatization of propane and butane. Various descriptions of the dependence of the alkane conversion on the coke concentration on the catalyst have been considered, and using a statistical method of estimating the model validity, the most preferable form of the deactivation function has been proposed.

  16. Influence of temperature and process duration on composition of products of butane aromatization on zeolitic catalyst

    SciTech Connect (OSTI)

    Vorob`ev, B.L.; Trishin, P.Yu.; Koshelev, Yu.N.

    1995-06-10

    A study has been made of the influence of catalyst deactivation in the course of its service. The composition of products of butane aromatization on zeolitic catalyst and on selectivity of formation of target products and by-products is reported.

  17. Vapor-liquid equilibria and densities for the system butane + hexacontane

    SciTech Connect (OSTI)

    Nieuwoudt, I.

    1996-09-01

    Liquid and vapor phase compositions and densities have been measured with a variable volume cell for the binary system butane + hexacontane (n-C{sub 60}H{sub 122}). Data sets at 433.15 K, 438.15 K, and 453.15 K are presented and include measurements in the mixture critical region.

  18. Selective oxidation of n-butane and butenes over vanadium-containing catalysts

    SciTech Connect (OSTI)

    Nieto, J.M.L.; Concepcion, P.; Dejoz, A.; Knoezinger, H.; Melo, F.; Vazquez, M.I.

    2000-01-01

    The oxidative dehydrogenation (OXDH) of n-butane, 1-butene, and trans-2-butene on different vanadia catalysts has been compared. MgO, alumina, and Mg-Al mixed oxides with Mg/(Al + Mg) ratios of 0.25 and 0.75 were used as supports. The catalytic data indicate that the higher the acid character of catalysts the lower is both the selectivity to C{sub 4}-olefins from n-butane and the selectivity to butadiene from both 1-butene or trans-2-butene. Thus, OXDH reactions are mainly observed from n-butane and butenes on basic catalysts. The different catalytic performance of both types of catalysts is a consequence of the isomerization of olefins on acid sites, which appears to be a competitive reaction with the selective way, i.e., the oxydehydrogenation process by a redox mechanism. Infrared spectroscopy data of 1-butene adsorbed on supported vanadium oxide catalysts suggest the presence of different adsorbed species. O-containing species (carbonyl and alkoxide species) are observed on catalysts with acid sites while adsorbed butadiene species are observed on catalysts with basic sites. According to these results a reaction network for the oxydehydrogenation of n-butane is proposed with parallel and consecutive reactions.

  19. Author's personal copy A spatially-resolved temperature-dependent model for butane

    E-Print Network [OSTI]

    Daraio, Chiara

    13 March 2012 Keywords: Butane reforming Surface reaction mechanism Fuel cells a b s t r a c al. [11] reported the optimization of a detailed reaction mechanism for methane partial oxidation, based on experimental results from a flow reactor. The optimized mechanism showed better performance

  20. A detailed surface reaction model for syngas production from butane over Rhodium catalyst

    E-Print Network [OSTI]

    Daraio, Chiara

    online 30 July 2011 Keywords: Butane reforming Surface reaction mechanism Micro solid oxide fuel cell a b solid oxide fuel cells (micro SOFCs) have promising potential to provide an alternative al. [16] reported the optimization of a detailed reaction mechanism for methane combustion

  1. Cracking of n-butane catalyzed by iron- and maganese-promoted sulfated zirconia

    SciTech Connect (OSTI)

    Cheung, T.K.; d`Itri, J.L.; Gates, B.C.

    1995-05-01

    Fe- and Mn-promoted sulfated zirconia was used to catalyze the conversion of n-butane at atmospheric pressure and n-butane partial pressures in the range of 0.0025-0.01 atm. At temperatures <225{degrees}C, the significant reactions were isomerization and disproportionation; in the range of 225-300{degrees}C, these reactions were accompanied by cracking, and at temperatures >350{degrees}C, cracking and isomerization occurred. Catalyst deactivation, resulting at least in part from coke formation, was rapid. The primary cracking products were methane, ethane, ethylene, and propylene. The observation of these products along with an ethane/ethylene molar ratio of nearly 1 at 450{degrees}C is consistent with cracking occurring, at least in part, by the Haag-Dessau mechanism, whereby the strongly acidic catalyst protonates n-butane to give carbonium ions. The rate of methane formation from n-butane cracking catalyzed by Fe- and Mn-promoted sulfated zirconia at 450{degrees}C was about 3 x 10{sup {minus}9}mol/(g of catalyst {center_dot}s). This comparison suggests that the catalytic activity of the promoted sulfated zirconia at 450{degrees}C is about the same as that of the zeolite, although its activity for n-butane isomerization and disproportionation at temperatures <100{degrees}C is orders of magnitude greater than those of zeolites. Thus the indication of superacidity of the promoted sulfated zirconia does not extend to high temperatures. The results raise questions about the nature of the presumed superacidity: perhaps the low-temperature reactions may involve catalyst functions other than the acidic function responsible for high-temperature cracking reactions or perhaps superacidic sites may be very rapidly poisoned at cracking temperatures. 14 refs., 8 figs., 3 tabs.

  2. Diamond/diamond-like thin film growth in a butane plasma on unetched, unheated, N-type Si(100) substrates

    SciTech Connect (OSTI)

    Williams, E.S.; Richardson, J.S. Jr.; Anderson, D.; Starkey, K.

    1995-06-01

    Deposition of diamond/diamond-like thin films on unetched, unheated, n-type Si(100) substrates in a butane plasma is reported. An interconnection between values of index of refraction, hydrogen flow rate, butane flow rate and Rf power was determined. The H{sub 2} and C{sub 4}H{sub 10} molecules are disassociated by Rf energy to create a plasma. Carbon from the butane forms a thin diamond/diamond-like film on a suitable substrate, which in the current investigation, is n-type Si(100).

  3. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    E-Print Network [OSTI]

    2015-01-01

    oxi- dation of methane, ethane, propane and butane, Geochim.variability and air-sea ?ux of ethane and propane in thecation of novel methane-, ethane-, and propane-oxidizing

  4. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    E-Print Network [OSTI]

    Mendes, SD; Redmond, MC; Voigritter, K; Perez, C; Scarlett, R; Valentine, DL

    2015-01-01

    Bacterial oxidation of propane, FEMS Microbiol. Lett. , 122(oxi- dation of methane, ethane, propane and butane, Geochim.air-sea ?ux of ethane and propane in the plume of a large,

  5. Formative time of breakdown modeled for the ignition of air and n-butane mixtures using effective ionization coefficients

    SciTech Connect (OSTI)

    Kudryavtsev, A. A.; Popugaev, S. D.; Demidov, V. I.; Adams, S. F.; Jiao, C. Q.

    2008-12-15

    It is shown that simulations of ignition by electric arc discharge in n-butane and air mixtures have interesting features, which deviate from results obtained by simple extension of calculations based on methanelike fuels. In particular, it is demonstrated that lowering the temperature of the n-butane-air mixture before ignition under certain conditions will actually decrease the ignition stage time as well as the required electric field.

  6. Dynamics of Exchange at Gas-Zeolite Interfaces 1: Pure Component n-Butane and Isobutane

    SciTech Connect (OSTI)

    CHANDROSS,MICHAEL E.; WEBB III,EDMUND B.; GREST,GARY S.; MARTIN,MARCUS G.; THOMPSON,AIDAN P.; ROTH,M.W.

    2000-07-13

    The authors present the results of molecular dynamics simulations of n-butane and isobutane in silicalite. They begin with a comparison of the bulk adsorption and diffusion properties for two different parameterizations of the interaction potential between the hydrocarbon species, both of which have been shown to reproduce experimental gas-liquid coexistence curves. They examine diffusion as a function of the loading of the zeolite, as well as the temperature dependence of the diffusion constant at loading and for infinite dilution. They continue with simulations in which interfaces are formed between single component gases and the zeolite. After reaching equilibrium, they examine the dynamics of exchange between the bulk gas and the zeolite. Finally, they calculate the permeability of the zeolite for n-butane and isobutane as a function of pressure. Their simulations are performed for a number of different gas temperatures and pressures, covering a wide range of state points.

  7. Hydrogen effect on n-butane isomerization over sulfated zirconia-based catalysts

    SciTech Connect (OSTI)

    Sayari, A.; Yang, Yong; Song, Xuemin

    1997-04-15

    Iron- and manganese-promoted sulfated zirconia (SFMZ) has been tested as an n-butane isomerization catalyst in the temperature range of 35 to 180{degrees}C. The catalytic activity exhibits an induction period whose length is dependent on the reaction conditions. The presence of H{sub 2} in the feed stream strongly suppresses n-butane conversion over unprompted sulfated zirconia (SZ) and over Pt-containing SFMZ (PtSFMZ). However, hydrogen had no effect on n-butane isomerization over SFMZ. These findings were interpreted on the basis of a bimolecular mechanism where unsaturated intermediates (carbenium ions and/or butene) are formed during the break-in period. The role of promoters (Fe and Mn) is not only facilitating the formation of hydrogen-deficient intermediates and their accumulation on the catalyst surface, but also enhancing their stability. The negative effect of hydrogen over PtSFMZ is attributed to the occurrence of atomic hydrogen via the dissociative adsorption of H{sub 2} on Pt. 40 refs., 7 figs., 1 tab.

  8. Biofiltration control of VOC and air toxic emissions: n-Butane and benzene

    SciTech Connect (OSTI)

    Allen, E.R.

    1996-12-31

    n-Butane and benzene vapors are routinely observed in urban atmospheres. Their presence in urban airsheds is of concern because of their ozone production potential as volatile organic compounds (VOCs) and/or potential toxicity. Also, these saturated hydrocarbons are representative of airborne aliphatic and aromatic compounds. Separate laboratory studies have been conducted on the biological elimination of n-butane (n-C{sub 4}H{sub 10}) and benzene (C{sub 6}H{sub 6}) from airstreams using treated compost biofilters. The removal efficiencies were found to exceed 90% for a conditioned biofilter medium and pollutant low concentrations (< 25 ppm) and zeroth order kinetics at higher concentrations (> 100 ppm), whereas benzene vapor elimination followed zeroth order kinetics at concentrations up to 200 ppm. The maximum n-butane and benzene elimination capacities observed for the compost biofilters and conditions employed were 25 and 70 g pollutant m{sup -3} h{sup -1}, respectively. 13 refs., 6 figs., 2 tabs.

  9. Aromatic and polycyclic aromatic hydrocarbon formation in a laminar premixed n-butane flame

    SciTech Connect (OSTI)

    Marinov, N.M.; Pitz, W.J.; Westbrook, C.K.; Vincitore, A.M.; Castaldi, M.J.; Senkan, S.M.; Melius, C.F.

    1998-07-01

    Experimental and detailed chemical kinetic modeling work has been performed to investigate aromatic and polycyclic aromatic hydrocarbon (PAH) formation pathways in a premixed, rich, sooting, n-butane-oxygen-argon burner stabilized flame. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.6 was used to acquire experimental data for model validation. Gas composition analysis was conducted by an on-line gas chromatograph/mass spectrometer technique. Measurements were made in the main reaction and post-reaction zones for a number of low molecular weight species, aliphatics, aromatics, and polycyclic aromatic hydrocarbons (PAHs) ranging from two to five-fused aromatic rings. Reaction flux and sensitivity analysis were used to help identify the important reaction sequences leading to aromatic and PAH growth and destruction in the n-butane flame. Reaction flux analysis showed the propargyl recombination reaction was the dominant pathway to benzene formation. The consumption of propargyl by H atoms was shown to limit propargyl, benzene, and naphthalene formation in flames as exhibited by the large negative sensitivity coefficients. Naphthalene and phenanthrene production was shown to be plausibly formed through reactions involving resonantly stabilized cyclopentadienyl and indenyl radicals. Many of the low molecular weight aliphatics, combustion by-products, aromatics, branched aromatics, and PAHs were fairly well simulated by the model. Additional work is required to understand the formation mechanisms of phenyl acetylene, pyrene, and fluoranthene in the n-butane flame. 73 refs.

  10. 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.

  11. Syngas production from butane using a flame-made Rh/Ce0.5Zr0.5O2 Nico Hotz a

    E-Print Network [OSTI]

    Daraio, Chiara

    Syngas production from butane using a flame-made Rh/Ce0.5Zr0.5O2 catalyst Nico Hotz a , Michael J the production of H2- and CO-rich syngas from butane was investigated for different Rh loadings (0­2.0 wt% Rh for a temperature range from 225 to 750 8C. The main goal of this study was the efficient processing of butane

  12. Hydroxylated and Methoxylated Polybrominated Diphenyl Ethers in a

    E-Print Network [OSTI]

    Gobas, Frank

    Research Hydroxylated and Methoxylated Polybrominated Diphenyl Ethers in a Canadian Arctic Marine of hydroxylated (OH-) and methoxylated (MeO-) polybrominated diphenyl ethers (PBDEs) have been previously detected

  13. 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...

  14. Oxidative dehydrogenation of ethane and n-butane on VO{sub x}/Al{sub 2}O{sub 3} catalysts

    SciTech Connect (OSTI)

    Blasco, T.; Galli, A.; Lopez Neito, J.M.; Trifiro, F.

    1997-07-01

    The catalytic properties of vanadium oxides/aluminium oxides were investigated in the dehydrogenation of ethane and n-butane. The importance of Lewis acid sites is described.

  15. Pressure and concentration dependences of the autoignition temperature for normal butane + air mixtures in a closed vessel

    SciTech Connect (OSTI)

    Chandraratna, M.R.; Griffiths, J.F. . School of Chemistry)

    1994-12-01

    The condition at which autoignition occurs in lean premixed n-butane + air mixtures over the composition range 0.2%--2.5% n-butane by volume (0.06 < [phi] < 0.66) were investigated experimentally. Total reactant pressure from 0.1 to 0.6 MPa (1--6 atm) were studied in a spherical, stainless-steel, closed vessel (0.5 dm[sup 3]). There is a critical transition from nonignition to ignition, at pressures above 0.1 MPa, as the mixture is enriched in the vicinity of 1% fuel vapor by volume. There is also a region of multiplicity, which exhibits three critical temperatures at a given composition. Chemical analyses show that partially oxygenated components,including many o-heterocyclic compounds, are important products of the lean combustion of butane at temperatures up to 800 K. The critical conditions for autoignition are discussed with regard to industrial ignition hazards, especially in the context of the autoignition temperature of alkanes given by ASTM or BS tests. The differences between the behavior of n-butane and the higher n-alkanes are explained. The experimental results are also used as a basis for testing a reduced kinetic model to represent the oxidation and autoignition of n-butane or other alkanes.

  16. Effect of Pt and H{sub 2} on n-butane isomerization over Fe and Mn promoted sulfated zirconia

    SciTech Connect (OSTI)

    Song, Xuemin; Reddy, K.R.; Sayari, A.

    1996-06-01

    The activity of a 0.4 wt% Pt-containing Fe and Mn promoted sulfated zirconia (PtSFMZ) catalyst in n-butane isomerization at 35{degrees}C was compared to that of a Pt-free catalyst (SFMZ). The maximum rate of n-butane conversion observed in helium over PtSFMZ was found to be 2.5 times higher than that over the SFMZ catalyst under the same conditions. It is believed that n-butane isomerization proceeds via a bimolecular mechanism in which the formation of hydrogen-deficient intermediates (carbenium ions and butenes), is necessary and the presence of transition metals such as Pt, Fe, and Mn on sulfated zirconia facilitates the formation/accumulation of these intermediates and increases their stability on the catalyst surface. The presence of H{sub 2} had a strong negative effect on n-butane conversion over PtSFMZ, but had no effect over SFMZ. The negative effect of H{sub 2} on PtSFMZ catalyst in n-butane isomerization reaction was attributed to the decreased concentration of butenes in the presence of hydrogen atoms which are formed by the dissociation of H{sub 2} on Pt. The ability of calcined Pt-containing catalysts to activate hydrogen at 35{degrees}C was demonstrated. Reduced SFMZ with or without Pt was not active at 35{degrees}C regardless of the nature of the carrier gas. 42 refs., 5 figs.

  17. Structure of an n-butane monolayer adsorbed on magnesium oxide (100)

    SciTech Connect (OSTI)

    Arnold, T.; Chanaa, S.; Cook, R. E.; Clarke, S. M.; Larese, J. Z.

    2006-08-15

    Neutron diffraction has been used to characterize the structure of the solid phase of the completed monolayer of n butane on the MgO(100) surface at low temperature. The monolayer is found to adopt a commensurate (7{radical}(2)x{radical}(2)R45 deg. ) structure with lattice constants a=29.47 A ring and b=4.21 A ring , P{sub 2gg} symmetry and four molecules in the unit cell. Excellent agreement with the experimental diffraction pattern is realized, using a Lorenztian profile to describe the line shape.

  18. Impacts of Ethanol on Anaerobic Production of Tert-Butyl Alcohol (TBA) from Methyl Tert-Butyl Ether (MTBE) in Groundwater

    E-Print Network [OSTI]

    Scow, K M; MacKay, Douglas

    2008-01-01

    Project title: Impacts of Ethanol on Anaerobic Production oftert-butanol (TBA). As ethanol is being promoted as ainvestigate the effect of ethanol release on existing MTBE

  19. Low-temperature superacid catalysis: Reactions of n - butane and propane catalyzed by iron- and manganese-promoted sulfated zirconia

    SciTech Connect (OSTI)

    Tsz-Keung, Cheung; d`Itri, J.L.; Lange, F.C.; Gates, B.C.

    1995-12-31

    The primary goal of this project is to evaluate the potential value of solid superacid catalysts of the sulfated zirconia type for light hydrocarbon conversion. The key experiments catalytic testing of the performance of such catalysts in a flow reactor fed with streams containing, for example, n-butane or propane. Fe- and Mn-promoted sulfated zirconia was used to catalyze the conversion of n-butane at atmospheric pressure, 225-450{degrees}C, and n-butane partial pressures in the range of 0.0025-0.01 atm. At temperatures <225{degrees}C, these reactions were accompanied by cracking; at temperatures >350{degrees}C, cracking and isomerization occurred. Catalyst deactivation, resulting at least in part from coke formation, was rapid. The primary cracking products were methane, ethane, ethylene, and propylene. The observation of these products along with an ethane/ethylene molar ratio of nearly 1 at 450{degrees}C is consistent with cracking occurring, at least in part, by the Haag-Dessau mechanism, whereby the strongly acidic catalyst protonates n-butane to give carbonium ions. The rate of methane formation from n-butane cracking catalyzed by Fe- and Mn-promoted sulfated zirconia at 450{degrees}C was about 3 x 10{sup -8} mol/(g of catalyst {center_dot}s). The observation of butanes, pentanes, and methane as products is consistent with Olah superacid chemistry, whereby propane is first protonated by a very strong acid to form a carbonium ion. The carbonium ion then decomposes into methane and an ethyl cation which undergoes oligocondensation reactions with propane to form higher molecular weight alkanes. The results are consistent with the identification of iron- and manganese-promoted sulfated zirconia as a superacid.

  20. A fast hybrid start-up process for thermally self-sustained catalytic n-butane reforming in micro-SOFC power plants

    E-Print Network [OSTI]

    Daraio, Chiara

    A fast hybrid start-up process for thermally self-sustained catalytic n-butane reforming in micro at the investigation and optimization of a hybrid start-up process for a self-sustained reactor for n-butane to syngas

  1. n-Butane: Ignition delay measurements at high pressure and detailed chemical kinetic simulations

    SciTech Connect (OSTI)

    Healy, D.; Curran, H.J.; Donato, N.S.; Aul, C.J.; Petersen, E.L.; Zinner, C.M.; Bourque, G.

    2010-08-15

    Ignition delay time measurements were recorded at equivalence ratios of 0.3, 0.5, 1, and 2 for n-butane at pressures of approximately 1, 10, 20, 30 and 45 atm at temperatures from 690 to 1430 K in both a rapid compression machine and in a shock tube. A detailed chemical kinetic model consisting of 1328 reactions involving 230 species was constructed and used to validate the delay times. Moreover, this mechanism has been used to simulate previously published ignition delay times at atmospheric and higher pressure. Arrhenius-type ignition delay correlations were developed for temperatures greater than 1025 K which relate ignition delay time to temperature and concentration of the mixture. Furthermore, a detailed sensitivity analysis and a reaction pathway analysis were performed to give further insight to the chemistry at various conditions. When compared to existing data from the literature, the model performs quite well, and in several instances the conditions of earlier experiments were duplicated in the laboratory with overall good agreement. To the authors' knowledge, the present paper presents the most comprehensive set of ignition delay time experiments and kinetic model validation for n-butane oxidation in air. (author)

  2. Detailed comparisons of airborne formaldehyde measurements with box models during the 2006 INTEX-B and MILAGRO campaigns: potential evidence for significant impacts of unmeasured and multi-generation volatile organic carbon compounds

    E-Print Network [OSTI]

    2011-01-01

    of 2-butyl nitrate to butane, as dis- cussed by Bertman ethereafter be referred to as butane time or photochemicalof 2-butyl nitrate to butane (see Perring et al. , 2010)

  3. Studies of n-butane conversion over silica-supported platinum, platinum-silver and platinum-copper catalysts

    SciTech Connect (OSTI)

    Gu, Junhua

    1992-06-09

    The present work was undertaken to elucidate effect of adding silver and copper to silica-supported platinum catalyst on the activity and selectivity in the n-butane reactions. At the conditions of this study n-butane underwent both hydrogenolysis and structural isomerization. The catalytic activity and selectivities between hydrogenolysis and isomerization and within hydrogenolysis were measured at temperature varying from 330 C to 370 C. For platinum-silver catalysts, at lower temperatures studied the catalytic activity per surface platinum atom (turnover frequency) remained constant at lower silver content (between 0 at. % and 30 at. %) and decreased with further increased silver loading, suggesting that low- index planes could be dominant in the hydrogenolysis of n-butane. Moreover, increasing silver content resulted in an enhancement of the selectivity of isomerization products relative to hydrogenolysis products. At the higher temperature studied, no suppression in catalytic activity was observed. It is postulated that surface structure could change due to the mobility of surface silver atoms, leading to surface silver atoms forming islands or going to the bulk, and leaving large portions of basal planes exposed with active platinum atoms. It is also suggested that the presence of inert silver atoms results in weakening of the H-surface bond. This results in increased mobility of hydrogen atoms on the surface and hence, higher reactivity with other adsorbed species. For platinum copper catalysts, the mixed ensembles could play an active role in the hydrogenolysis of n-butane.

  4. Support shape effect in metal oxide catalysis: ceria nanoshapes supported vanadia catalysts for oxidative dehydrogenation of iso-butane

    SciTech Connect (OSTI)

    Wu, Zili; Schwartz, Viviane; Li, Meijun; Rondinone, Adam Justin; Overbury, Steven {Steve} H

    2012-01-01

    The activation energy of VOx/CeO2 catalysts in oxidative dehydrogenation of iso-butane was found dependent on the shape of ceria support: rods < octahedra, closely related to the surface oxygen vacancy formation energy and defects amount of the two ceria supports with different crystallographic surface planes.

  5. Adsorption of iso-/n-butane on an Anatase Thin Film: A Molecular Beam Scattering and TDS Study

    SciTech Connect (OSTI)

    Goering, J.; Kadossov, E.; Burghaus, Uwe; Yu, Zhongqing; Thevuthasan, Suntharampillai; Saraf, Laxmikant V.

    2007-07-01

    Binding energies and adsorption probabilities have been determined for n/iso-butane adsorption on an anatase thin film grown on SrTiO3(001) by means of thermal desorption spectroscopy (TDS) and molecular beam scattering. The sample has been characterized by x-ray diffraction (XRD) and Auger electrons spectroscopy (AES).

  6. 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.

  7. Whole-Genome Analysis of Methyl tert-Butyl Ether-Degrading Beta-Proteobacterium Methylibium petroleiphilum PM1

    E-Print Network [OSTI]

    2007-01-01

    degradation pathways. PM1 contains an operon (mpeA0814-0821) likely encoding for conversion of benzene to phenol (

  8. HORTSCIENCE 44(3):770773. 2009. Petroleum Ether Separation

    E-Print Network [OSTI]

    Etxeberria, Edgardo

    HORTSCIENCE 44(3):770­773. 2009. Petroleum Ether Separation and Seedcoat Removal Enhance Seed studied. Petroleum ether separation improved germination by dividing seeds into floaters and sinkers sinkers except for one source of C. cunninghamiana. In sorted hybrid seeds, petroleum ether separation

  9. Maternal Anesthesia via Isoflurane or Ether Differentially

    E-Print Network [OSTI]

    Maternal Anesthesia via Isoflurane or Ether Differentially Affects Pre-and Postnatal Behavior Program in Occupational Therapy Washington University School of Medicine St. Louis, MO 63108 Jeffrey R: Our understanding of prenatal behavior has been significantly advanced by techniques for direct

  10. Skeletal isomerization of n-butane on zeolites and sulfated zirconium oxide promoted by platinum: Effect of reaction pressure

    SciTech Connect (OSTI)

    Kuei-jung Chao; Hung-chung Wu; Li-jen Leu

    1995-12-01

    The isomerization of n-butane catalyzed by sulfated zirconium oxide and H-form zeolites with the promotion of platinum has been studied by measurements of the conversion and product distribution at temperatures of between 240 and 390{degrees}C at atmospheric pressure and at 20.4 atm. The skeletal isomerization proceeds mainly via the bimolecular disproportionation mechanism on Pt/H-zeolite at 1 atm and via the monomolecular carbocation mechanism on Pt/SO{sub 4}{sup 2}-ZrO{sub 2} at temperatures of 300{degrees}C at both 1 and 20.4 atm. At 20.4 atm pressure, the monomolecular cracking and isomerization of butane can also occur on Pt/H-zeolite. Hydrogen molecules may be dissociated and converted to hydride and proton ions on Pt/SO{sub 4}{sup -2}--ZrO{sub 2}, promoting the desorption of surface carbenium ions and the cracking of butane molecules, which have been enhanced under high reaction pressures. 16 refs., 1 fig., 2 tabs.

  11. n-Alkanes on MgO(100). I: Coverage-Dependent Desorption Kinetics of n-Butane

    SciTech Connect (OSTI)

    Tait, Steven L.; Dohnalek, Zdenek; Campbell, C T.; Kay, Bruce D.

    2005-04-22

    High quality temperature programmed desorption (TPD) measurements of n-butane from MgO(100) have been made for a large number of initial butane coverages (0-3.70 ML) and a wide range of heating ramp rates (0.3-10 K/s). We present a TPD analysis technique which allows the coverage-dependent desorption energy to be accurately determined by mathematical inversion of a TPD spectrum, assuming only that the prefactor is coverage-independent. A variational method is used to determine the prefactor that minimizes the difference between a set of simulated TPD spectra and corresponding experimental data. The best fit for butane desorption from MgO is obtained with a prefactor of 1015.7?1.6 s-1. The desorption energy is 34.9?3.4 kJ/mol at 0.5 ML coverage, and varies with coverage. Simulations based on these results can accurately reproduce TPD experiments for submonolayer initial coverages over a wide range of heating ramp rates (0.3-10 K/s). Advantages and limitations of this method are discussed.

  12. The kinetic significance of V{sup 5+} in n-butane oxidation catalyzed by vanadium phosphates

    SciTech Connect (OSTI)

    Coulston, G.W.; Harlow, R.; Herron, N.

    1997-01-10

    Maleic anhydride, a precursor to polyester resins, is made by oxidation of n-butane over vanadium phosphate catalysts. This system is of general interest because it is the only heterogeneously catalyzed, alkane-selective oxidation reaction in commercial use. Time-resolved in situ x-ray absorption spectroscopy shows that when either {alpha}{sub 1}-VOPO{sub 4}/SiO{sub 2} or (VO){sub 2}P{sub 2}O{sub 7}/SiO{sub 2} catalysts are exposed to n-butane, the rate of maleic anhydride formation is proportional to the rate of decay of V{sup 5+} species in the catalyst. Thus V{sup 5+} species are kinetically significant for the production of maleic anhydride and not just for the production of by-products. The results also suggest that V{sup 5+} species in the catalyst. Thus V{sup 5+} species are kinetically significant for the production of maleic anhydride and not just for the production of by-products. The results also suggest that V{sup 5+} species may play a role in the initial hydrogen abstraction from n-butane, the rate-determining step in the reaction sequence. V{sup 4+} sites appear to be responsible for by-product formation.

  13. Kinetic study of the oxidation of n-butane on vanadium oxide supported on Al/Mg mixed oxide

    SciTech Connect (OSTI)

    Dejoz, A.; Vazquez, I.; Nieto, J.M.L.; Melo, F.

    1997-07-01

    The reaction kinetics of the oxidative dehydrogenation (ODH) of n-butane over vanadia supported on a heat-treated Mg/Al hydrotalcite (37.3 wt % of V{sub 2}O{sub 5}) was investigated by both linear and nonlinear regression techniques. A reaction network including the formation of butenes (1-, 2-cis-, and 2-trans-butene), butadiene, and carbon oxides by parallel and consecutive reactions, at low and high n-butane conversions, has been proposed. Langmuir-Hinshelwood (LH) models can be used as suitable models which allows reproduction of the global kinetic behavior, although differences between oxydehydrogenation and deep oxidation reactions have been observed. Thus, the formation of oxydehydrogenation products can be described by a LH equation considering a dissociative adsorption of oxygen while the formation of carbon oxides is described by a LH equation with a nondissociative adsorption of oxygen. Two different mechanisms operate on the catalyst: (i) a redox mechanism responsible of the formation of olefins and diolefins and associated to vanadium species, which is initiated by a hydrogen abstraction; (ii) a radical mechanism responsible of the formation of carbon oxides from n-butane and butenes and associated to vanadium-free sites of the support. On the other hand, the selectivity to oxydehydrogenation products increases with the reaction temperature. This catalytic performance can be explained taking into account the low reducibility of V{sup 5+}-sites and the higher apparent activation energies of the oxydehydrogenation reactions with respect to deep oxidation reactions.

  14. 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.

  15. Kinetic and inhibition studies for the aerobic cometabolism of 1,1,1-trichloroethane, 1,1-dichloroethylene, and 1,1-dichloroethane by a butane-grown mixed culture

    E-Print Network [OSTI]

    Semprini, Lewis

    ,1-dichloroethylene, and 1,1-dichloroethane by a butane-grown mixed culture Kim Y, Arp DJ, Semprini L BIOTECHNOLOGY,1- dichloroethane (1,1-DCA) by a butane-grown mixed culture. These chlorinated aliphatic hydrocarbons (CAHs for butane (2.6 mumol/mg TSS/ h) followed by 1,1-DCE (1.3 mumol/mg TSS/h), 1,1-DCA (0.49 mumol/mg TSS

  16. Vacuum structure and ether-drift experiments

    E-Print Network [OSTI]

    M. Consoli; L. Pappalardo

    2009-05-12

    In the data of the ether-drift experiments there might be sizable fluctuations superposed on the smooth sinusoidal modulations due to the Earth's rotation and orbital revolution. These fluctuations might reflect the stochastic nature of the underlying "quantum ether" and produce vanishing averages for all vectorial quantities extracted from a naive Fourier analysis of the data. By comparing the typical stability limits of the individual optical resonators with the amplitude of their relative frequency shift, the presently observed signal, rather than being spurious experimental noise, might also express fundamental properties of a physical vacuum similar to a superfluid in a turbulent state of motion. In this sense, the situation might be similar to the discovery of the CMBR that was first interpreted as mere instrumental noise.

  17. Ignition of ethane, propane, and butane in counterflow jets of cold fuel versus hot air under variable pressures

    SciTech Connect (OSTI)

    Fotache, C.G.; Wang, H.; Law, C.K.

    1999-06-01

    This study investigates experimentally the nonpremixed ignition of ethane, propane, n-butane, and isobutane in a configuration of opposed fuel versus heated air jets. For each of these fuels the authors explore the effects of inert dilution, system pressure, and flow strain rate, for fuel concentrations ranging between 3--100% by volume, pressures between 0.2 and 8 atm, and strain rates of 100--600 s{sup {minus}1}. Qualitatively, these fuels share a number of characteristics. First, flame ignition typically occurs after an interval of mild oxidation, characterized by minimal heat release, fuel conversion, and weak light emission. The temperature extent of this regime decreases with increasing the fuel concentration, the ambient pressure, or the flow residence time. Second, the response to strain rate, pressure, and fuel concentration is similar for all investigated fuels, in that the ignition temperatures monotonically decrease with increasing fuel content, decreasing flow strain, and increasing ambient pressure. The C{sub 4} alkanes, however, exhibit three distinct p-T ignition regimes, similar to the homogeneous explosion limits. Finally, at 1 atm, 100% fuel, and a fixed flow strain rate the ignition temperature increases in the order of ethane < propane < n-butane < i-butane. Numerical simulation was conducted for ethane ignition using detailed reaction kinetics and transport descriptions. The modeling results suggest that ignition for all fuels studied at pressures below 5 atm is initiated by fuel oxidation following the high-temperature mechanism of radical chain branching and with little contribution by low-to-intermediate temperature chemistry.

  18. Solubilities of butane, vapor pressures, and densities for benzene + cyclohexane, benzene + methanol, and methanol + cyclohexane solutions at 298 K

    SciTech Connect (OSTI)

    Miyano, Yoshimori (Okayama Univ. of Science (Japan)); Hayduk, W. (Univ. of Ottawa, Ontario (Canada))

    1993-04-01

    In this paper the solubilities of butane at a pressure of 101.3 kPa and a temperature of 298.15 K are presented for three mixed solvent solutions: benzene + methanol, cyclohexane + methanol, and benzene + cyclohexane. The densities and vapor pressures are also reported for these solutions at the same conditions. Whereas the benzene + methanol and cyclohexane + methanol mixtures form azeotropic solutions, they are mutually soluble for all compositions of the two solvents. On the other hand, mixtures of cyclohexane and methanol are not mutually soluble but form two immiscible liquid phases for a significant portion of the composition range, but at a higher temperature also form an azeotropic solution.

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

    DOE Patents [OSTI]

    Howe, Gregg A. (East Lansing, MI); Itoh, Aya (Tsuruoka, JP)

    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.

  20. Crown Ethers Flatten in Graphene for Strong, Specific Binding...

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

    2011 2010 News Home | ORNL | News | Features | 2014 SHARE Crown Ethers Flatten in Graphene for Strong, Specific Binding ORNL discovery holds potential for separations, sensors,...

  1. Selective aromatization of C[sub 3]- and C[sub 4]-paraffins over modified encilite catalysts: 2. Kinetics of n-butane aromatization

    SciTech Connect (OSTI)

    Jana, A.K.; Rao, M.S. . Dept. of Chemical Engineering)

    1993-11-01

    The kinetics of the aromatization of n-butane over Zn-encilite catalyst was studied in a fixed bed reactor under steady-state conditions at atmospheric pressure and in the temperature range of 480--540 C. The experimental data were analyzed, and a dual-site mechanism was proposed. Six rate equations of the Langmuir-Hinshelwood type were tested. The unknown parameters in the rate equations were estimated by a nonlinear regression method. A kinetic equation for n-butane aromatization is proposed.

  2. Toward Understanding the Nature of Internal Rotation Barriers with a New Energy Partition Scheme: Ethane and n-Butane

    SciTech Connect (OSTI)

    Liu, Shubin; Govind, Niri

    2008-07-24

    Based on an alternative energy partition scheme where density-based quantification of the steric effect was proposed [S.B. Liu, J. Chem. Phys. 126, 244103 (2007)], the origin of the internal rotation barrier between the eclipsed and staggered conformers of ethane and n-butane is systematically investigated in this work. The new definition is repulsive, exclusive, and extensive, and is intrinsically related to Bader’s atoms in molecules approach. Two kinds of differences, adiabatic (with optimal structure) and vertical (with fixed geometry), are considered in this work. We find that in the adiabatic case the eclipsed conformer possesses a larger steric repulsion than the staggered conformer for both molecules, but in the vertical cases the staggered conformer retains a larger steric repulsion. For ethane, a strong correlation between the total energy difference and the fermionic quantum energy difference is discovered. This linear relationship, however, does not hold for n-butane, whose behaviors in energy component differences are found to be more complicated. The impact of basis set and density functional choices on energy components from the new energy partition scheme has been investigated, as has its comparison with another definition of the steric effect in the literature in terms of the natural bond orbital analysis through the Pauli Exclusion Principle. Profiles of conceptual DFT reactivity indices as a function of dihedral angle changes have also been examined. Put together, these results suggest that the new energy partition scheme provides insights from a different perspective of internal rotation barriers.

  3. Solvent vapor recovery by pressure swing adsorption. 1: Experimental transient and periodic dynamics of the butane-activated carbon system

    SciTech Connect (OSTI)

    Liu, Y.; Holland, C.E.; Ritter, J.A.

    1998-11-01

    An experimental investigation was carried out for the separation and recovery of butane vapor (10 to 40 vol%) from nitrogen using Westvaco BAX activated carbon in a twin-bed pressure swing adsorption (PSA) system utilizing a 4-step Skarstrom-type cycle. Twenty-four runs, covering a broad range of process and initial column conditions, were performed to investigate the transient and period process dynamics. In all cases the approach to the periodic state was very slow, taking up to 160 cycles depending on the initial condition of the beds; and peak bed temperatures of up to 105 C were observed depending on both the initial condition of the beds and the process conditions. Also, the periodic state of each run was unique when approaching a new periodic state from less contaminated beds. The uniqueness of the periodic states, together with the exceedingly high peak temperatures, inferred much about the practice of preconditioning beds to avoid high temperature excursions. The periodic enriched butane vapor concentration histories also gave considerable insight into new cycle designs for improved solvent vapor enrichment.

  4. Alternative Fuels Data Center: Dimethyl Ether

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE: Alternative Fuels Data Center Home Page on Digg FindPortsas a VehicleNaturalDimethyl Ether to

  5. Butyl Fuel LLC formerly Environmental Energy Inc | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar Energy LLC JumpBiossenceBrunswick, Maine:IAEA CooperationSolarButyl Fuel LLC

  6. Network Structure of Cellulose Ethers Used in Pharmaceutical Applications

    E-Print Network [OSTI]

    Peppas, Nicholas A.

    Network Structure of Cellulose Ethers Used in Pharmaceutical Applications during Swelling cellulose ethers that differ in their type and degree of substitution and to elucidate the network structure hydrogels of cellulose derivatives, such as the polymer volume frac- tion in the swollen state, 2,S

  7. Process for producing dimethyl ether form synthesis gas

    DOE Patents [OSTI]

    Pierantozzi, Ronald (Macungie, PA)

    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.

  8. Emergent gravity and ether-drift experiments

    E-Print Network [OSTI]

    M. Consoli; L. Pappalardo

    2010-05-04

    According to several authors, gravity might be a long-wavelength phenomenon emerging in some 'hydrodynamic limit' from the same physical, flat-space vacuum viewed as a form of superfluid medium. In this framework, light might propagate in an effective acoustic geometry and exhibit a tiny anisotropy that could be measurable in the present ether-drift experiments. By accepting this view of the vacuum, one should also consider the possibility of sizeable random fluctuations of the signal that reflect the stochastic nature of the underlying `quantum ether' and could be erroneously interpreted as instrumental noise. To test the present interpretation, we have extracted the mean amplitude of the signal from various experiments with different systematics, operating both at room temperature and in the cryogenic regime. They all give the same consistent value = O (10^{-15}) which is precisely the magnitude expected in an emergent-gravity approach, for an apparatus placed on the Earth's surface. Since physical implications could be substantial, it would be important to obtain more direct checks from the instantaneous raw data and, possibly, with new experimental set-ups operating in gravity-free environments.

  9. 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.

  10. A sulfonated poly (aryl ether ether ketone ketone) isomer: synthesis and DMFC performance

    SciTech Connect (OSTI)

    Kim, Yu Seung [Los Alamos National Laboratory; Liu, Baijun [JILIN UNIV.; Hu, Wei [JILIN UNIV.; Jiang, Zhenhua [JILIN UNIV.; Robertson, Gilles [CANADA NRC; Guiver, Michael [CANADA NRC

    2009-01-01

    A sulfonated poly(aryl ether ether ketone ketone) (PEEKK) having a well-defined rigid homopolymer-like chemical structure was synthesized from a readily-prepared PEEKK post-sulfonation with concentrated sulfuric acid at room temperature within several hours. The polymer electrolyte membrane (PEM) cast from the resulting polymer exhibited an excellent combination of thermal resistance, oxidative and dimensional stability, low methanol fuel permeability and high proton conductivity. Furthermore, membrane electrode assemblies (MEAs) were successfully fabricated and good direct methanol fuel cell (DMFC) performance was observed. At 2 M MeOH feed, the current density at 0.5 V reached 165 mA/cm, which outperformed our reported analogues and eveluated Nafion membranes.

  11. The production and persistence of Sigma RONO2 in the Mexico City plume

    E-Print Network [OSTI]

    2010-01-01

    3 CHONO 2 CH 2 CH 3 ) to butane, an indicator of time sincethe ratio of 2-butyl nitrate to butane, panel (c) shows thefrom the 2-butylnitrate/butane ratio and panel (d) shows the

  12. 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.

  13. 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.

  14. Catalytic rearrangement of the chloroallyl ethers of p-cresol

    SciTech Connect (OSTI)

    Andreev, N.A.; Bunina-Krivorukova, L.I.; Levashova, V.I.

    1986-07-20

    The rearrangement of a series of p-cresol ethers (..beta..- and ..gamma..-chloro-, ..beta gamma..- and ..beta gamma..,..gamma..-trichloroallyl), catalyzed by boron trifluoride etherate, was studied. Increase in the number of chlorine atoms in the allyl unit of the ether hinders the rearrangement, and its mechanism changes in the investigated series of ethers from intramolecular (3,3)-sigmatropic (with inversion of the allyl unit) to intermolecular, which corresponds to electrophilic substitution in the aromatic ring (without inversion). The presence of the chlorine atom at the ..beta.. position of the allyl unit promotes rearrangement by a concerted intramolecular mechanism, while a chlorine atom at the ..gamma.. position promotes rearrangement by an intermolecular stage mechanism. Two chlorine atoms at the ..gamma.. position give rise mainly to the intermolecular rearrangement path.

  15. A kinetic investigation of the reaction of dibutyl sodiophosphonate with n-butyl bromide 

    E-Print Network [OSTI]

    Shaffer, James Howard

    1955-01-01

    LIBRARY A A N COLLEGE OF TEXAS A KINETIC INVESTIGATION OI" TIIE RFACTION OF DIBUTYL SODIOITIOSPHONATE II'ITH N BUTYL BROIIllDE A Thesis By James Howard Shaffer Submitted to the Oraduate School of the Agricultural and Mechanical College... of Texn~ in partial fulfillment of the requirements for the de ree of MASTER OF SCIENCE August 1955 Major Subject: Chemistry A KINETIC INVESTIGATION OF THE REACTION OF DIBUTYL SODIOPHOSPHONATE WITH N-BUTYL BROMIDE A Thesis By James Howard Shaffer...

  16. 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.

  17. Superacid catalysis of light hydrocarbon conversion. Final report, August 26, 1993--August 26, 1996

    SciTech Connect (OSTI)

    Gates, B.C.

    1996-12-31

    Motivated by the goal of finding improved catalysts for low- temperature conversion of light alkanes into fuel components or precursors of fuel components, the researchers have investigated sulfated zirconia and promoted sulfated zirconia for conversion of butane, propane, and ethane. Catalyst performance data for sulfated zirconia promoted with iron and manganese show that it is the most active noncorrosive, nonhalide catalyst known for n-butane isomerization, and it is an excellent candidate catalyst for new low- temperature n-butane isomerization processes to make isobutane, which can be converted by established technology into methyl t-butyl ether (MTBE). Various transition metals have been found to work as promoters of sulfated zirconia for n-butane isomerization. The combination of iron and manganese is the best known combination of promoters yet discovered. The iron- and manganese-promoted sulfated zirconia is also a catalyst for conversion of propane and of ethane. Ethane is converted into ethylene and butanes in the presence of the iron- and manganese-promoted sulfated zirconia; propane is also converted into butane, among other products. However, the activities of the catalyst for these reactions are orders of magnitude less than the activity for n-butane conversion, and there is no evidence that the catalyst would be of practical value for conversion of alkanes lighter than butane. The product distribution data for ethane and propane conversion provide new insights into the nature of the catalyst and its acidity. These data suggest the involvement of Olah superacid chemistry, whereby the catalyst protonates the alkane itself, giving carbonium ions (as transition states). The mechanism of protonation of the alkane may also pertain to the conversion of butane, but there is good evidence that the butane conversion also proceeds via alkene intermediates by conventional mechanisms of carbenium ion formation and rearrangement.

  18. Copoly(arlene ether)s containing pendant sulfonic acid groups as proton exchange membrane

    SciTech Connect (OSTI)

    Kim, Yu Seung [Los Alamos National Laboratory; Kim, Dae Sik [CANADA NRC; Robertson, Gilles [CANADA NRC; Guiver, Michael [CANADA NRC

    2008-01-01

    A copoly(arylene ether) (PAE) with high fluorine content and a copoly(arylene ether nitrile) (PAEN) with high nitrile content, each containing pendant phenyl sulfonic acids were synthesized. The P AE and PAEN were prepared from decafluorobiphenyl (DFBP) and difluorobenzonitrile (DFBN) respectively, by polycondensation with 2-phenylhydroquinone (PHQ) by conventional aromatic nucleophilic substitution reactions. The sulfonic acid groups were introduced by mild post-sulfonation exclusively on the para-position of the pendant phenyl ring in PHQ. The membrane properties of the resulting sulfonated copolymers sP AE and sP AEN were compared for fuel cell applications. The copolymers sPAE and sPAEN, each having a degree of sulfonation (DS) of 1.0 had high ion exchange capacities (IEC{sub v}(wet) (volume-based, wet state)) of 1.77 and 2.55 meq./cm{sup 3}, high proton conductivities of 135.4 and 140.1 mS/cm at 80 C, and acceptable volume-based water uptake of 44.5-51.9 vol% at 80 C, respectively, compared to Nafion. The data points of these copolymer membranes are located in the area of outstanding properties in the trade-off plot of alternative hydrocarbon polyelectrolyte membranes (PEM) for the relationship between proton conductivity versus water uptake (weight based or volume based). Furthermore, the relative selectivity derived from proton conductivity and methanol permeability is higher than that of Nafion.

  19. Ethane and n-butane oxidation over supported vanadium oxide catalysts: An in situ UV-visible diffuse reflectance spectroscopic investigation

    SciTech Connect (OSTI)

    Gao, X.; Banares, M.A.; Wachs, I.E.

    1999-12-10

    The coordination/oxidation states of surface vanadium oxide species on several oxide supports (Al{sub 2}O{sub 3}, ZrO{sub 2}, SiO{sub 2}) during ethane and n-butane oxidation were examined by in situ UV-vis diffuse reflectance spectroscopy (DRS). Only a small amount of the surface V(V)cations are reduced to V(IV)/V(III) cations under present steady-state reaction conditions. The extents of reduction of the surface V(V) species are a strong function of the specific oxide support, V{sub 2}O{sub 5}/ZrO{sub 2} {gt} V{sub 2}O{sub 5}/Al{sub 2}O{sub 5}/Al{sub 2}O{sub 3} {gt} V{sub 2}O{sub 5}/SiO{sub 2}, and also correlate with their reactivities (turnover frequencies) for ethane and n-butane oxidation reactions. For ZrO{sub 2}-supported samples, the polymerized surface vanadia species were found to be more easily reduced than the isolated surface vanadia species in reducing environments (i.e., ethane or n-butane in He), but no significant differences in the extents of reduction were observed under present steady-state reaction conditions (i.e., ethane/O{sub 2}/He or n-butane/O{sub 2}/He). This observation is also consistent with the ethane oxidation catalytic study, which revealed that the polymerization degree, the domain size, of the surface vanadia species does not appear to significantly affect the reactivity of the supported vanadia catalysts for ethane oxidation.

  20. Initial activity of reduced chromia/alumina catalyst in n-butane dehydrogenation monitored by on-line FT-IR gas analysis

    SciTech Connect (OSTI)

    Hakuli, A.; Kytoekivi, A.; Suntola, T.

    1996-06-01

    The initial activity of chromia/alumina catalyst (13 wt% Cr) in n-butane dehydrogenation was studied in a flow reactor at 853 K. The initial activity was determined by on-line FT-IR gas analysis, which enabled sampling of the gaseous product mixture at a time resolution of seconds. The catalysts were processed in repeated cycles of oxidation, reduction, and dehydrogenation using n-butane, methane, hydrogen, or carbon monoxide as reducing agents. With n-butane, methane, and hydrogen and dehydrogenation activity was associated with Cr{sup 3+} species apparently formed in the reduction of high-valence Cr species. The catalyst reduced with carbon monoxide at 853 K showed poor initial selectivity for butenes and, relative to the other catalysts. Simultaneous data relating the initial activity, coke content, and some of the physicochemical properties of the catalyst indicated that the surfaces of all catalysts were modified to some extent by the successive reaction cycles. 33 refs., 7 figs., 2 tabs.

  1. Preparation of 1-C14-Propene-1 and the Mechanism of Permanganate Oxidation of Propene

    E-Print Network [OSTI]

    Fries, B.A.

    2010-01-01

    propene, 9% butenes, 9% butanes and pentanes and 1% pentenes0.5/0 propane and 0.5% n-butane. The yield of propene waspropene, 16% butenes f 3% i-butane, 3% ethyl propy:i. ether

  2. Role of metal-support interactions on the activity of Pt and Rh catalysts for reforming methane and butane.

    SciTech Connect (OSTI)

    Rossignol, C.; Krause, T.; Krumpelt, M.

    2002-01-11

    For residential fuel cell systems, reforming of natural gas is one option being considered for providing the H{sub 2} necessary for the fuel cell to operate. Industrially, natural gas is reformed using Ni-based catalysts supported on an alumina substrate, which has been modified to inhibit coke formation. At Argonne National Laboratory, we have developed a new family of catalysts derived from solid oxide fuel cell technology for reforming hydrocarbon fuels to generate H{sub 2}. These catalysts consist of a transition metal supported on an oxide-ion-conducting substrate, such as ceria, that has been doped with a small amount of a non-reducible element, such as gadolinium, samarium, or zirconium. Unlike alumina, the oxide-ion-conducting substrate has been shown to induce strong metal-support interactions. Metal-support interactions are known to play an important role in influencing the catalytic activity of many metals supported on oxide supports. Based on results from temperature-programmed reduction/oxidation and kinetic reaction studies, this paper discusses the role of the metal and the substrate in the metal-support interactions, and how these interactions influence the activity and the selectivity of the catalyst in reforming methane and butane to hydrogen for use in fuel cell power systems.

  3. Autoignited laminar lifted flames of methane, ethylene, ethane, and n-butane jets in coflow air with elevated temperature

    SciTech Connect (OSTI)

    Choi, B.C.; Chung, S.H.

    2010-12-15

    The autoignition characteristics of laminar lifted flames of methane, ethylene, ethane, and n-butane fuels have been investigated experimentally in coflow air with elevated temperature over 800 K. The lifted flames were categorized into three regimes depending on the initial temperature and fuel mole fraction: (1) non-autoignited lifted flame, (2) autoignited lifted flame with tribrachial (or triple) edge, and (3) autoignited lifted flame with mild combustion. For the non-autoignited lifted flames at relatively low temperature, the existence of lifted flame depended on the Schmidt number of fuel, such that only the fuels with Sc > 1 exhibited stationary lifted flames. The balance mechanism between the propagation speed of tribrachial flame and local flow velocity stabilized the lifted flames. At relatively high initial temperatures, either autoignited lifted flames having tribrachial edge or autoignited lifted flames with mild combustion existed regardless of the Schmidt number of fuel. The adiabatic ignition delay time played a crucial role for the stabilization of autoignited flames. Especially, heat loss during the ignition process should be accounted for, such that the characteristic convection time, defined by the autoignition height divided by jet velocity was correlated well with the square of the adiabatic ignition delay time for the critical autoignition conditions. The liftoff height was also correlated well with the square of the adiabatic ignition delay time. (author)

  4. Solvent extraction of technetium from alkaline waste media using bis-4,4{prime}(5{prime})[(tert-butyl)cyclohexano]-18-crown-6

    SciTech Connect (OSTI)

    Bonnesen, P.V.; Presley, D.J.; Moyer, B.A.

    1995-07-01

    The crown ether bis-4,4`(5`)[(tert-butyl)cyclohexano]-18-crown-6 can be utilized in a solvent-extraction process for the removal of technetium as pertechnetate ion, TcO{sub 4}{sup {minus}} from solutions simulating highly radioactive alkaline defense wastes (``tank wastes``) stored at several sites in the United States. The process employs non-halogenated and non-volatile diluents and modifiers and includes an efficient stripping procedure using only water. More than 95% of the pertechnetate present at 6 {times} 10{sup {minus}5} M in Melton Valley (Oak Ridge, TN) and Hanford (Washington) tank-waste simulants was removed following two cross-current extraction contacts using 0.02 M bis-4,4`(5`)[(tertbutyl)cyclohexano]- 18-crown-6 in 2:1 vol/vol TBP/Isopar{reg_sign} M diluent at 25 C. Similarly, for both simulants, more than 98% of the pertechnetate contained in the solvent was back-extracted following two cross-current stripping contacts using deionized water.

  5. Copoly(arylene ether)s containing pendant sulfonic acid groups as proton exchange membranes

    SciTech Connect (OSTI)

    Dae Sik, Kim [Los Alamos National Laboratory; Yu Seung, Kim [Los Alamos National Laboratory; Gilles, Robertson [CANADA-NRC; Guiver, Michael D [CANADA-NRC

    2009-01-01

    A copoly(arylene ether) (PAE) with high fluorine content and a copoly(arylene ether nitrile) (PAEN) with high nitrile content, each containing pendant phenyl sulfonic acids were synthesized. The PAE and P AEN were prepared from decafluorobiphenyl (DFBP) and difluorobenzonitrile (DFBN) respectively, by polycondensation with 2phenylhydroquinone (PHQ) by conventional aromatic nucleophilic substitution reactions. sulfonic acid groups were introduced by mild post-sulfonation exclusively on the para-position of the pendant phenyl ring in PHQ. The membrane properties of the resulting sulfonated copolymers sPAE and sPAEN were compared for fuel cell applications. The copolymers sPAE and sPAEN, each having a degree of sulfonation (OS) of 1.0 had high ion exchange capacities (IEC{sub v})(wet) (volume-based, wet state) of 1.77 and 2.55 meq./cm3, high proton conductivities of 135.4 and 140.1 mS/cm at 80 C, and acceptable volume-based water uptake of 44.5 -51.9 vol% at 80 C, respectively, compared to Nafion. The data points of these copolymer membranes are located in the upper left-hand corner in the trade-off plot of alternative hydrocarbon polyelectrolyte membranes (PEM) for the relationship between proton conductivity versus water uptake (weight based or volume based), i.e., high proton conductivity and low water uptake. Furthermore, the relative selectivity derived from proton conductivity and methanol permeability is higher than that of Nafion.

  6. RELATIONS BETWEEN THE DETECTION OF METHYL TERT-BUTYL ETHER (MTBE) IN SURFACE AND GROUND WATER AND ITS CONTENT IN GASOLINE

    E-Print Network [OSTI]

    AND ITS CONTENT IN GASOLINE By Michael J. Moran, Mike J. Halde, Rick M. Clawges and John S. Zogorski U in the United States as an octane enhancer and oxygenate in gasoline. Octane enhancement began in the late 1970's with the phase-out of tetraethyl lead from gasoline. The use of oxygenates was expanded

  7. 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.

  8. Direct Dimethyl Ether Polymer Electrolyte Fuel Cells for Portable Applications

    E-Print Network [OSTI]

    Mench, Matthew M.

    . Chance, and C. Y. Wang* Electrochemical Engine Center and Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA Dimethyl ether DME at atmospheric pressure. It is typically stored as a liquid at 0.6 MPa 75 psig in standard propane tanks. DME

  9. Batch polymerization of styrene and isoprene by n-butyl lithium initiator 

    E-Print Network [OSTI]

    Hasan, Sayeed

    1970-01-01

    BATCN ?OLYMERIZATION OF STYRENE AND ISO?RENE BY n-BUTYL LITHIUM INITIATOR A Thesis SAYEED IIASAV Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement for the d pre of IJASTER OF SCIFNCE... ler) CP3 MV gse P . January 1970 9&ZS&8 ABSTRACT Batch Polymerization of Styrene and Isoprene By n-Butyl Lithium Initiator. (January 1970) Sayeed 1Iasan, B. Sc. , East Pakistan University of Engineering and Technology, Dacca Directed by: Dr...

  10. Batch polymerization of styrene initiated by n-butyl lithium in a cyclohexane solvent 

    E-Print Network [OSTI]

    Landon, Thomas Rodman

    1971-01-01

    Committee ea Depa tment Mem er Mem er em er August 1971 ABSTRACT Batch Polymerization of Styrene Initiated by N-Butyl Lithium in Cyclohexane Solvent. (August 19 71) Thomas Rodman Landon, B, S. , Te x as A (&M Un i ve rs i ty Directed by: Dr.... Rayford G. Anthony Styrene is polymerized by n-butyl lithium with cyclo- hexane as the solvent. The polymerization is carried out in an isothermal batch reactors at three temperature 30, 40, and 50'C. The proposed reaction proceeds by a homo- geneous...

  11. Carbon nanotube-induced preparation of vanadium oxide nanorods: Application as a catalyst for the partial oxidation of n-butane

    SciTech Connect (OSTI)

    Chen Xiaowei; Zhu Zhenping; Haevecker, Michael; Su Dangsheng . E-mail: dangsheng@fhi-berlin.mpg.de; Schloegl, Robert

    2007-02-15

    A vanadium oxide-carbon nanotube composite was prepared by solution-based hydrolysis of NH{sub 4}VO{sub 3} in the presence of carbon nanotubes. The carbon nanotubes induce the nucleation of the 1D vanadium oxide nanostructures, with the nuclei growing into long freestanding nanorods. The vanadium oxide nanorods with the lengths up to 20 {mu}m and the widths of 5-15 nm exhibit a well-ordered crystalline structure. Catalytic tests show that the composite with nanostructured vanadium oxide is active for the partial oxidation of n-butane to maleic anhydride at 300 deg. C.

  12. Palladium/Tris(tert-butyl)phosphine-Catalyzed Suzuki Cross-Couplings in the Presence of Water

    E-Print Network [OSTI]

    Lou, Sha

    Dipalladiumtris(dibenzylideneacetone)/tris(tert-butyl)phosphonium tetrafluoroborate/potassium fluoride dihydrate [Pd2(dba)3/[HP(t-Bu)3]BF4/KF?2?H2O] serves as a mild, robust, and user-friendly method for the efficient ...

  13. Dark matter, Mach's ether and the QCD vacuum

    E-Print Network [OSTI]

    Cohen-Tannoudji, Gilles

    2015-01-01

    Here is proposed the idea of linking the dark matter issue, (considered as a major problem of contemporary research in physics) with two other open theoretical questions, one, almost centenary about the existence of an unavoidable ether in general relativity agreeing with the Mach's principle, and one more recent about the properties of the quantum vacuum of the quantum field theory of strong interactions, QuantumChromodynamics (QCD). According to this idea, on the one hand, dark matter and dark energy that, according to the current standard model of cosmology represent about 95% of the universe content, can be considered as two distinct forms of the Mach's ether, and, on the other hand, dark matter, as a perfect fluid emerging from the QCD vacuum could be modeled as a Bose Einstein condensate.

  14. 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.

  15. 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.

  16. Versatile assembly of p-carboxylatocalix[4]arene-O-alkyl ethers

    E-Print Network [OSTI]

    Kennedy, Stuart

    2011-01-01

    Chem. , 2007, 72, 1675; j) S. Kennedy, S. J. Dalgarno, Chem.0-alkyl ethers Stuart Kennedy," Simon J. Teat* and Scott J.

  17. Aging of Weapon Seals – An Update on Butyl O-ring Issues

    SciTech Connect (OSTI)

    Wilson, Mark H.

    2011-07-13

    During testing under the Enhanced Surveillance Campaign in 2001, preliminary data detected a previously unknown and potentially serious concern with recently procured butyl o-rings on several programs. All butyl o-rings molded from a proprietary formulation throughout the period circa 1999 through 2001 had less than a full cure. Engineering judgment was that under curing is detrimental and could possibly lead to sub-optimum performance or, in the worst case, premature seal failure. An aging study was undertaken to ensure that suspect o-rings installed in the stockpile will retain sufficient sealing force for a minimum ten-year service life. A new prediction model developed for this study indicates suspect o-rings do not need to be replaced before the ten-year service life. Long-term testing results are reported on a yearly basis to validate the prediction model. This report documents the aging results for the period September 2002 to January 2011.

  18. Bisphenol A Diglycidyl Ether Induces Adipogenic Differentiation of Multipotent Stromal Stem Cells through a Peroxisome Proliferator-Activated Receptor Gamma-Independent Mechanism

    E-Print Network [OSTI]

    2012-01-01

    Hla T, Warner TD. 2000. Bisphenol A diglycidyl ether (BADGE)C, et al. 2008. Migration of BADGE (bisphenol A diglycidyl-ether) and BFDGE (bisphenol F diglycidyl-ether) in canned

  19. Bisphenol A diglycidyl ether induces adipogenic differentiation of multipotent stromal stem cells through a peroxisome proliferator-activated receptor gamma-independent mechanism

    E-Print Network [OSTI]

    2012-01-01

    Hla T, Warner TD. 2000. Bisphenol A diglycidyl ether (BADGE)C, et al. 2008. Migration of BADGE (bisphenol A diglycidyl-ether) and BFDGE (bisphenol F diglycidyl-ether) in canned

  20. Host cells and methods for producing 3-methyl-2-buten-1-ol, 3-methyl-3-buten-1-ol, and 3-methyl-butan-1-ol

    DOE Patents [OSTI]

    Chou, Howard H. (Berkeley, CA); Keasling, Jay D. (Berkeley, CA)

    2011-07-26

    The invention provides for a method for producing a 5-carbon alcohol in a genetically modified host cell. In one embodiment, the method comprises culturing a genetically modified host cell which expresses a first enzyme capable of catalyzing the dephosphorylation of an isopentenyl pyrophosphate (IPP) or dimethylallyl diphosphate (DMAPP), such as a Bacillus subtilis phosphatase (YhfR), under a suitable condition so that 5-carbon alcohol is 3-methyl-2-buten-1-ol and/or 3-methyl-3-buten-1-ol is produced. Optionally, the host cell may further comprise a second enzyme capable of reducing a 3-methyl-2-buten-1-ol to 3-methyl-butan-1-ol, such as a reductase.

  1. A Model of Electrons, Photons and the Ether

    E-Print Network [OSTI]

    Robert L. McCarthy

    2008-07-24

    This is an attempt to construct a classical microscopic model of the electron which underlies quantum mechanics. An electron is modeled, not as a point particle, but as the end of an electromagnetic string, a line of flux. These lines stretch across cosmic distances, but are almost unobservable because they condense into pairs--which form the ether. Photons are modeled to propagate on these line pairs, which act effectively as wave guides. These line pairs are also responsible for the force of gravity--which is electromagnetic in character.

  2. 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 and initial investigations at low DME blend ratios (around 5-10 vol%) will begin shortly. They have also performed viscosity measurements on diesel fuel, DME and 50-50 blends of DME in diesel. These tests have verified that DME has a much lower viscosity than the diesel fuel and that the viscosity of the blended fuel is also much lower than the diesel base fuel. This has implications for the injection and atomization of the DME/diesel blends.

  3. Interactions between Ether Phospholipids and Cholesterol as Determined by Scattering and Molecular Dynamics Simulations

    SciTech Connect (OSTI)

    Pan, Jianjun [ORNL; Cheng, Xiaolin [ORNL; Heberle, Frederick A [ORNL; Mostofian, Barmak [ORNL; Kucerka, Norbert [Canadian Neutron Beam Centre and Comelius University (Slovakia); Drazba, Paul [ORNL; Katsaras, John [ORNL

    2012-01-01

    Cholesterol and ether lipids are ubiquitous in mammalian cell membranes, and their interactions are crucial in ether lipid mediated cholesterol trafficking. We report on cholesterol s molecular interactions with ether lipids as determined using a combination of small-angle neutron and Xray scattering, and all-atom molecular dynamics (MD) simulations. A scattering density profile model for an ether lipid bilayer was developed using MD simulations, which was then used to simultaneously fit the different experimental scattering data. From analysis of the data the various bilayer structural parameters were obtained. Surface area constrained MD simulations were also performed to reproduce the experimental data. This iterative analysis approach resulted in good agreement between the experimental and simulated form factors. The molecular interactions taking place between cholesterol and ether lipids were then determined from the validated MD simulations. We found that in ether membranes cholesterol primarily hydrogen bonds with the lipid headgroup phosphate oxygen, while in their ester membrane counterparts cholesterol hydrogen bonds with the backbone ester carbonyls. This different mode of interaction between ether lipids and cholesterol induces cholesterol to reside closer to the bilayer surface, dehydrating the headgroup s phosphate moiety. Moreover, the three-dimensional lipid chain spatial density distribution around cholesterol indicates anisotropic chain packing, causing cholesterol to tilt. These insights lend a better understanding of ether lipid-mediated cholesterol trafficking and the roles that the different lipid species have in determining the structural and dynamical properties of membrane associated biomolecules.

  4. Ether sulfones with additives for electrolytes in rechargeable lithium ion batteries

    E-Print Network [OSTI]

    Angell, C. Austen

    Ether sulfones with additives for electrolytes in rechargeable lithium ion batteries Xiao-Guang Sun in rechargeable lithium ion battery [1-5]. In a previous publication [6] we described a series of ether sulfones electrolytes, can yield lithium button cells ?batteries with very favorable characteristics. (Refs to VC

  5. Laser Light-Scattering Study of Novel Thermoplastics. 1. Phenolphthalein Poly(aryl ether ketone)

    E-Print Network [OSTI]

    Wu, Chi

    Laser Light-Scattering Study of Novel Thermoplastics. 1. Phenolphthalein Poly(aryl ether ketone(ether ketone) (PEK), are widely used as engineering thermoplastics or matrix resins in advanced composite, the processing and application of these thermoplastics have been greatly hindered by their low solubility

  6. Decomposition of Ethanol and Dimethyl Ether During Chemical Vapour deposition Synthesis

    E-Print Network [OSTI]

    Maruyama, Shigeo

    1 Decomposition of Ethanol and Dimethyl Ether During Chemical Vapour deposition Synthesis of Single-phase thermal decomposition of ethanol and dimethyl ether (DME) at typical SWNT growth conditions using to the predicted decomposition mechanism. Signature peak intensities indicated concentrations of both ethanol

  7. 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.

  8. 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.

  9. The V{sup 4}+/V{sup 5+} balance as a criterion of selection of vanadium phosphorus oxide catalysts for n-butane oxidation to maleic anhydride: A proposal to explain the role of Co and Fe dopants

    SciTech Connect (OSTI)

    Sananes-Schulz, M.T.; Tuel, A.; Volta, J.C.; Hutchings, G.J.

    1997-03-01

    Vanadium phosphorous oxide catalysts (VPO) are well known for the oxidation of n-butane to maleic anhydride, and many papers and patents have been published in the literature on this catalytic system. Concerning the valence state of vanadium in the active surface, a V{sup 4+}/V{sup 5+} equilibrium on the surface of a vanadyl pyrophosphate during n-butane oxidation has been demonstrated which is dependent on the time of activation. In the present note, we study the modifications, as determined by {sup 31}P NMR by spin echo mapping, which are induced in the physicochemical characteristics of VPO catalysts which have major differences in their morphologies when doped with iron and cobalt at a low percentage (1%) and the correlation with their catalytic performances. 21 refs., 5 figs., 2 tabs.

  10. 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.

  11. 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)].

  12. 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.

  13. The efficient use of natural gas in transportation

    SciTech Connect (OSTI)

    Stodolsky, F.; Santini, D.J.

    1992-04-01

    Concerns over air quality and greenhouse gas emissions have prompted discussion as well as action on alternative fuels and energy efficiency. Natural gas and natural gas derived fuels and fuel additives are prime alternative fuel candidates for the transportation sector. In this study, we reexamine and add to past work on energy efficiency and greenhouse gas emissions of natural gas fuels for transportation (DeLuchi 1991, Santini et a. 1989, Ho and Renner 1990, Unnasch et al. 1989). We add to past work by looking at Methyl tertiary butyl ether (from natural gas and butane component of natural gas), alkylate (from natural gas butanes), and gasoline from natural gas. We also reexamine compressed natural gas, liquified natural gas, liquified petroleum gas, and methanol based on our analysis of vehicle efficiency potential. We compare the results against nonoxygenated gasoline.

  14. The efficient use of natural gas in transportation

    SciTech Connect (OSTI)

    Stodolsky, F.; Santini, D.J.

    1992-01-01

    Concerns over air quality and greenhouse gas emissions have prompted discussion as well as action on alternative fuels and energy efficiency. Natural gas and natural gas derived fuels and fuel additives are prime alternative fuel candidates for the transportation sector. In this study, we reexamine and add to past work on energy efficiency and greenhouse gas emissions of natural gas fuels for transportation (DeLuchi 1991, Santini et a. 1989, Ho and Renner 1990, Unnasch et al. 1989). We add to past work by looking at Methyl tertiary butyl ether (from natural gas and butane component of natural gas), alkylate (from natural gas butanes), and gasoline from natural gas. We also reexamine compressed natural gas, liquified natural gas, liquified petroleum gas, and methanol based on our analysis of vehicle efficiency potential. We compare the results against nonoxygenated gasoline.

  15. Bimetallic Ni-Rh catalysts with low amounts of Rh for the steam and autothermal reforming of n-butane for fuel-cell applications.

    SciTech Connect (OSTI)

    Ferrandon, M.; Kropf, A. J.; Krause, T.; Chemical Sciences and Engineering Division

    2010-05-15

    Mono-metallic nickel and rhodium catalysts and bimetallic Ni-Rh catalysts supported on La-Al{sub 2}O{sub 3}, CeZrO{sub 2} and CeMgOx were prepared and evaluated for catalyzing the steam and autothermal reforming of n-butane. The binary Ni-Rh supported on La-Al{sub 2}O{sub 3} catalysts with low weight loading of rhodium exhibited higher H{sub 2} yields than Ni or Rh alone. The Ni-Rh/CeZrO{sub 2} catalyst exhibited higher performance and no coke formation, compared to the same metals on other supports. A NiAl{sub 2}O{sub 4} spinel phase was obtained on all Ni and Ni-Rh catalysts supported on La-Al{sub 2}O{sub 3}. The presence of rhodium stabilized the spinel phase as well as NiOx species upon reforming while Ni alone was mostly reduced into metallic species. Extended X-ray absorption fine-structure analysis showed evidence of Ni-Rh alloy during preparation and even further after an accelerated aging at 900C in a H{sub 2}/H{sub 2}O atmosphere.

  16. Toxicity of polychlorinated diphenyl ethers in Hydra attenuata and in rat whole embryo culture 

    E-Print Network [OSTI]

    Becker, Marion Carol

    1991-01-01

    TOXICITY OF CHLORINATED DIPHENYL ETHERS IN HYDRA . . 34 Materials and Methods Results Discussion 36 37 43 IV EXPERIMENTAL ASSESSMENT OF DEVELOPMENTAL TOXICITY OF CHLORINATED DIPHENYL ETHERS IN THE RAT, 46 Materials and Methods Results Discussion... and little is known about their potential for causing developmental defects. Because the PCDEs are closely related to the chlorinated dibenzo-p-dioxins and the PCBs, it is of interest to review studies conducted to determine the developmental toxicity...

  17. 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.

  18. An Explanation of Dayton Miller's Anomalous "Ether Drift" Result

    E-Print Network [OSTI]

    Thomas J. Roberts

    2006-10-15

    In 1933 Dayton Miller published in this journal the results of his voluminous observations using his ether drift interferometer, and proclaimed that he had determined the "absolute motion of the earth". This result is in direct conflict with the prediction of Special Relativity, and also with numerous related experiments that found no such signal or "absolute motion". This paper presents a complete explanation for his anomalous result by: a) showing that his results are not statistically significant, b) describing in detail how flaws in his analysis procedure produced a false signal with precisely the properties he expected, and c) presenting a quantitative model of his systematic drift that shows there is no real signal in his data. In short, this is every experimenter's nightmare: he was unknowingly looking at statistically insignificant patterns in his systematic drift that mimicked the appearance of a real signal. An upper limit on "absolute motion" of 6 km/sec is derived from his raw data, fully consistent with similar experimental results and the prediction of Special Relativity. The key point of this paper is the need for a comprehensive and quantitative error analysis. The concepts and techniques used in this analysis were not available in Miller's day, but are now standard. These problems also apply to the famous measurements of Michelson and Morley, and to most if not all similar experiments; appendices are provided discussing several such experiments.

  19. 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.

  20. Superacid catalysis of light hydrocarbon conversion. DOE PETC third quarterly report, February 25, 1994--May 24, 1994

    SciTech Connect (OSTI)

    Gates, B.C.

    1995-12-31

    Environmental concerns are leading to the replacement of aromatic hydrocarbons in gasoline by high-octane-number branched paraffins and oxygenated compounds such as methyl t-butyl ether. The ether is produced from methanol and isobutylene, and the latter can be formed from n-butane by isomerization followed by dehydrogenation. Paraffin isomerization reactions are catalyzed by very strong acids such as aluminum chloride supported on alumina. The aluminum chloride-containing catalysts are corrosive, and their disposal is expensive. Alternatively, hydroisomerization is catalyzed by zeolite-supported metals at high temperatures, but high temperatures do not favor branched products at equilibrium. Thus there is a need for improved catalysts and processes for the isomerization of n-butane and other straight-chain paraffins. Consequently, researchers have sought for solid acids that are noncorrosive and active enough to catalyze isomerization of paraffins at low temperatures. For example, sulfated zirconia catalyzes isomerization of n-butane at temperatures as low as 25{degrees}C. The addition of iron and manganese promoters has been reported to increase the activity of sulfated zirconia for n-butane isomerization by three orders of magnitude. Although the high activity of this catalyst is now established, the reaction network is not known, and the mechanism has not been investigated. The goal of this work is to investigate low-temperature reactions of light paraffins catalyzed by solid superacids of the sulfated zirconia type. The present report is concerned with catalysis of n-butane conversion catalyzed by the Fe- and Mn- promoted sulfated zirconia described in the previous report in this series.

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

    SciTech Connect (OSTI)

    Shamsudin, Intan Juliana [Chemistry Department, Centre for Defence Foundation Studies, National Defence University of Malaysia, 57000 Kuala Lumpur (Malaysia); Ahmad, Azizan; Hassan, Nur Hasyareeda [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600, Bangi, Selangor Darul Ehsan (Malaysia)

    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.

  2. Extraction of short-lived zirconium and hafnium isotopes using crown ethers: A model system for the study of rutherfordium

    E-Print Network [OSTI]

    2005-01-01

    Extraction of short-lived zirconium and hafnium isotopesReceived: ; Accepted: Zirconium / Hafnium / Crown ether /The extraction of zirconium and hafnium from hydrochloric

  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 campus shuttle route began in early June 2002. However, the work and challenges continued as it has been difficult to maintain operability of the shuttle bus due to fuel and component difficulties. In late June 2002, the pump head itself developed operational problems (loss of smooth function) leading to excessive stress on the magnetic coupling and excessive current draw to operate. A new pump head was installed on the system to alleviate this problem and the shuttle bus operated successfully on DME blends from 10-25 vol% on the shuttle bus loop until September 30, 2002. During the period of operation on the campus loop, the bus was pulled from service, operated at the PTI test track and real-time emissions measurements were obtained using an on-board emissions analyzer from Clean Air Technologies International, Inc. Particulate emissions reductions of 60% and 80% were observed at DME blend ratios of 12 vol.% and 25 vol.%, respectively, as the bus was operated over the Orange County driving cycle. Increases in NOx, CO and HC emissions were observed, however. In summary, the conversion of the shuttle bus was successfully accomplished, particulate emissions reductions were observed, but there were operational challenges in the field. Nonetheless, they were able to demonstrate reliable operation of the shuttle bus on DME-diesel blends.

  4. 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. (Los Alamos, NM); Rofer-De Poorter, Cheryl K. (Los Alamos, NM)

    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.

  5. Anhydrous aluminum chloride as an alkylation catalyst: identification of mono- and dialkyl-benzenes from the condensation of tertiary butyl alcohol with benzene. 

    E-Print Network [OSTI]

    Scoggins, Lacey E

    1959-01-01

    - alkyl and polyalkyl derivatives. The percentage yield, of monoalkyl derivatives is dependent upon the alcohol, dehydrating agent and. the activation of the aromatic nuclei Anhydrous ferric and alusdnum chloride, hydrogen fluoride with phosphorous...-butyl alcohol with 'benzene in the presence of i'erric chloride and. a 5g yield using aluminum chloride under the same conditions. Simons and. Archer5 reacted t-butyl alcohol with 'benzene using hydrogen fluoride as an alkylation catalyst, obtaining 4Q...

  6. 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}.

  7. 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 and challenges have continued as it has been difficult to maintain operability of the shuttle bus due to fuel and component difficulties. As of late June 2002, it appears that the pump head itself developed operational problems (loss of smooth function) leading to excessive stress on the magnetic coupling and excessive current draw to operate. A new pump head is being installed on the system to alleviate this problem and get the shuttle bus back in operation. In summary, the conversion is completed but there have been operational challenges in the field. They continue to work to make the shuttle bus as reliable to operate on DME-diesel blends as possible.

  8. 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.

  9. 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.

  10. Multiprobe Spectroscopic Evidence for "Hyperpolarity" within 1-Butyl-3-methylimidazolium Hexafluorophosphate Mixtures with Tetraethylene Glycol

    SciTech Connect (OSTI)

    Sarkar, Abhra [Indian Institute of Technology, Delhi; Trivedi, Shruti [Indian Institute of Technology, Delhi; Baker, Gary A [ORNL; Pandey, Siddharth [Indian Institute of Technology, Delhi

    2008-01-01

    A hybrid, potentially green solvent system composed of tetraethylene glycol (TEG) and the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) was investigated across all mole fractions with regard to the solvent properties of the mixture. For this purpose, a suite of absorbance- and fluorescence-based solvatochromic probes were utilized to explore solute-solvent and solvent-solvent interactions existing within the [bmim][PF6] + TEG system. These studies revealed an interesting and unusual synergistic solvent effect. In particular, a remarkable hyperpolarity was observed in which the ET value, comprising dipolarity/polarizability and hydrogen bond donor (HBD) acidity contributions, at intermediate mole fractions of the binary mixture well exceeded that of the most polar pure component (i.e., [bmim][PF6]). Independently determined dipolarity/polarizability ( *) and HBD acidity (R) Kamlet-Taft values for the [bmim][PF6] + TEG mixtures were also observed to be anomalously high at intermediate mole fractions, whereas hydrogen bond acceptor (HBA) basicities ( values) were much more in line with the ideal arithmetic values predicted on a mole fraction basis.

  11. 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.

  12. 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.

  13. Ether Phospholipids and Glycosylinositolphospholipids Are Not Required for Amastigote Virulence or for Inhibition of Macrophage

    E-Print Network [OSTI]

    Beverley, Stephen M.

    im- plicated in virulence, such as lipophosphoglycan (LPG), smaller glycosylinositolphospholipids plasmalogens, LPG, and GIPLs. Leishmania ads1 thus represents the first ether lipid-synthesizing eukaryote (detergent- resistant membranes). In virulence tests it closely re- sembled LPG-deficient L. major, including

  14. Structural Requirements and Reaction Pathways in Dimethyl Ether Combustion Catalyzed by Supported Pt Clusters

    E-Print Network [OSTI]

    Iglesia, Enrique

    of the elementary steps required for catalytic combustion of dimethyl ether (DME) on Pt clusters were determined in developing economies. Recent studies have addressed steam reforming of DME on supported metal catalysts4-7 and its homogeneous combustion pathways via radical intermedi- ates.8,9 Here, we explore the catalytic

  15. Kinetics and Mechanism of Dimethyl Ether Oxidation to Formaldehyde on Supported Molybdenum Oxide Domains

    E-Print Network [OSTI]

    Iglesia, Enrique

    Kinetics and Mechanism of Dimethyl Ether Oxidation to Formaldehyde on Supported Molybdenum Oxide to formaldehyde (HCHO) on MoOx/Al2O3. The reaction intermediates and elementary steps established a redox to alkenes and oxygenates too costly for practical implementation. Oxygenates, such as formaldehyde (HCHO

  16. Lithium Hexamethyldisilazide-Mediated Ketone Enolization: The Influence of Hindered Dialkyl Ethers and Isostructural

    E-Print Network [OSTI]

    Collum, David B.

    Lithium Hexamethyldisilazide-Mediated Ketone Enolization: The Influence of Hindered Dialkyl Ethers of the enolization of 2-methylcyclohexanone mediated by lithium hexameth- yldisilazide (LiHMDS; TMS2NLi) solvated- bine to make lithium hexamethyldisilazide (LiHMDS) one of the most important Bro¨nsted bases in organic

  17. Role of the reaction intermediates in determining PHIP (parahydrogen induced polarization) effect in the hydrogenation of acetylene dicarboxylic acid with the complex [Rh (dppb)]{sup +} (dppb: 1,4-bis(diphenylphosphino)butane)

    SciTech Connect (OSTI)

    Reineri, F.; Aime, S.; Gobetto, R.; Nervi, C.

    2014-03-07

    This study deals with the parahydrogenation of the symmetric substrate acetylene dicarboxylic acid catalyzed by a Rh(I) complex bearing the chelating diphosphine dppb (1,4-bis(diphenylphosphino)butane). The two magnetically equivalent protons of the product yield a hyperpolarized emission signal in the {sup 1}H-NMR spectrum. Their polarization intensity varies upon changing the reaction solvent from methanol to acetone. A detailed analysis of the hydrogenation pathway is carried out by means of density functional theory calculations to assess the structure of hydrogenation intermediates and their stability in the two solvents. The observed polarization effects have been accounted on the basis of the obtained structures. Insights into the lifetime of a short-lived reaction intermediate are also obtained.

  18. Pt3Ru6 Clusters Supported on gamma-Al2O3: Synthesis from Pt3Ru6(Cu)21(u3-H)(u-H)3, Structural Characterization, and Catalysis of Ethylene Hydrogenation and n-Butane Hydrogenolysis

    SciTech Connect (OSTI)

    Chotisuwan,S.; Wittayakun, J.; Gates, B.

    2006-01-01

    The supported clusters Pt-Ru/{gamma}-Al{sub 2}O{sub 3} were prepared by adsorption of the bimetallic precursor Pt{sub 3}Ru{sub 6}(Cu){sub 21}({mu}{sub 3}-H)({mu}-H){sub 3} from CH{sub 2}Cl{sub 2} solution onto {gamma}-Al{sub 2}O{sub 3} followed by decarbonylation in He at 300 C. The resultant supported clusters were characterized by infrared (IR) and extended X-ray absorption fine structure (EXAFS) spectroscopies and as catalysts for ethylene hydrogenation and n-butane hydrogenolysis. After adsorption, the {nu}{sub CO} peaks characterizing the precursor shifted to lower wavenumbers, and some of the hydroxyl bands of the support disappeared or changed, indicating that the CO ligands of the precursor interacted with support hydroxyl groups. The EXAFS results show that the metal core of the precursor remained essentially unchanged upon adsorption, but there were distortions of the metal core indicated by changes in the metal-metal distances. After decarbonylation of the supported clusters, the EXAFS data indicated that Pt and Ru atoms interacted with support oxygen atoms and that about half of the Pt-Ru bonds were maintained, with the composition of the metal frame remaining almost unchanged. The decarbonylated supported bimetallic clusters reported here are the first having essentially the same metal core composition as that of a precursor metal carbonyl, and they appear to be the best-defined supported bimetallic clusters. The material was found to be an active catalyst for ethylene hydrogenation and n-butane hydrogenolysis under conditions mild enough to prevent substantial cluster disruption.

  19. Mild and General Palladium-Catalyzed Synthesis of Methyl Aryl Ethers Enabled by the Use of a Palladacycle Precatalyst

    E-Print Network [OSTI]

    Cheung, Chi Wai

    A general method for the Pd-catalyzed coupling of methanol with (hetero)aryl halides is described. The reactions proceed under mild conditions with a wide range of aryl and heteroaryl halides to give methyl aryl ethers in ...

  20. Ureteric Embolization for Lower Urinary Tract Fistulae: Use of Two Amplatzer Vascular Plugs and N-Butyl Cyanoacrylate Employing the 'Sandwich' Technique

    SciTech Connect (OSTI)

    Saad, Wael E. A., E-mail: ws6r@virginia.edu; Kalagher, S.; Turba, U. C.; Sabri, S. S.; Park, A.-W.; Stone, J.; Angle, J. F.; Matsumoto, A. H. [University of Virginia Health System, Department of Radiology and Medical Imaging, Division of Vascular Interventional Radiology (United States)

    2013-08-01

    PurposeThis study describes and evaluated the effectiveness of occluding distal ureters in the clinical setting of urinary vaginal (vesicovaginal or enterovesicovaginal) fistulae utilizing a new technique which combines Amplatzer vascular plugs and N-butyl cyanoacrylate.MaterialsThis is a retrospective study (January 2007-December 2010) of patients with urinary-vaginal fistulae undergoing distal ureter embolization utilizing an Amplatzer- N-butyl cyanoacrylate-Amplatzer sandwich technique. An 8-12-mm type-I or type-II Amplatzer vascular plug was delivered using the sheath and deployed in the ureter distal to the pelvic brim. Instillation of 0.8-1.5 cc of N-butyl cyanoacrylate into ureter proximal to the Amplatzer plug was performed. This was followed by another set of 8-12-mm type-I or type-II Amplatzer vascular plugs in a technique referred to as the 'sandwich technique.'ResultsFive ureters in three patients were occluded utilizing the above-described technique during the 4-year study period. Mean maximum size Amplatzer used per ureter was 10.8 mm (range, 8-12). One ureter required three Amplatzer plugs and the rest required two. Two patients (3 ureters) were clinically successful with complete resolution of symptoms in 36-48 h. The third patient (2 ureters) was partly successful and required a second Amplatzer- N-butyl cyanoacrylate sandwich technique embolization. The mean clinical follow-up was 11.3 months (range, 1.7-29.2).ConclusionsThe Amplatzer- N-butyl cyanoacrylate-Amplatzer sandwich technique for occluding the distal ureter is safe and effective with a quick (probably due to the N-butyl cyanoacrylate) and durable (probably due to the Amplatzer plugs) clinical response.

  1. Molecular Simulation of Water Extraction into a Tri-n-Butyl-Phosphate/n-Dodecane Solution

    SciTech Connect (OSTI)

    de Almeida, Valmor F [ORNL] [ORNL; Ye, Xianggui [ORNL] [ORNL; Cui, Shengting [ORNL] [ORNL; Khomami, Bamin [ORNL] [ORNL

    2013-01-01

    Abstract: Molecular dynamics simulations were performed to investigate water extraction into a solution of 30 vol% tri-n-butyl-phosphate (TBP) in n-dodecane. This solvent extraction mixture is commonly used in hydrometallurgical and nuclear fuel recycling operations for recovering metals from aqueous streams. It is known that water is coextracted in the organic phase and that it competes with metal ions for the available extractant agent (TBP). Therefore investigating pure water extraction provides a realistic prototype to test molecular simulation methods for the first time in this area. Our computational results indicate that the TBP electric dipole moment has a significant effect on the predicted water solubility. A larger TBP dipole moment decreases the aqueous-organic interfacial tension, leading to increased roughness of the aqueous-organic interface. Interfacial roughness has a significant effect on disrupting the interfacial water hydrogen bonding structure, resulting in a greater number of dangling water molecules at the interface. This enhances the probability of water molecules to break away from the aqueous phase and to migrate into the bulk of the organic phase. Therefore, the magnitude of the TBP dipole moment is a crucial factor in controlling water hydrogen bond breaking at the aqueous-organic interface. By slightly lowering the atomic partial charges of the TBP atoms, to produce a dipole moment that better agrees with experimental data, we were able to predict water solubility in close agreement with experimental measurements. Hence we demonstrate that a molecular modeling and simulation approach may provide quantitative support to experimental programs in this area. In addition, our simulation results shed light into the molecular mechanism of water extraction, the critical role of TBP, and the structural forms of water molecules both at the interface and in the bulk of the organic phase. Specifically, it is found that water molecules are extracted either as single molecules or as clusters. Furthermore, within the organic phase, the extracted water forms clusters with up to 20 water molecules, however, more than 70% of these water clusters contain less than 5 water molecules when the water extraction process reaches saturation.

  2. 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.

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

    DOE Patents [OSTI]

    Diebold, James P. (Lakewood, CO); Scahill, John W. (Evergreen, CO); Chum, Helena L. (Arvada, CO); Evans, Robert J. (Lakewood, CO); Rejai, Bahman (Lakewood, CO); Bain, Richard L. (Golden, CO); Overend, Ralph P. (Lakewood, CO)

    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.

  4. The Total Fatty Acids and Other Ether-Soluable Constituents of Feedstuffs. 

    E-Print Network [OSTI]

    Rather, J. B. (James Burness)

    1914-01-01

    . Percentage of Fatty Acids in Feedstuffs and Excrements by Various Methods. Labora? tory No. Ether extract. Fatty acids in ether extract. ?a.3 ? g S | . 2 5 a a'-"a _ Differ? ence (B-A) Diges? tion Method. Precipi? tation Method. O O... Q'S'o'cS ? "3 Is E-i . c *= =? a J=! ^ c3 12996 3.79 3.08 0.37 3.45 4.43 0 98 12999 4.31 3.77 0.16 3.93 4.34 0 41 13021 15.23 13.82 0.69 14.51 14.46 -0 05 13023 7.75 6 .2 1 0.39 6.60 8 . 1 0 1 50 13030 3.22 2.05 0.37 2.42 2.92 0 50 13045...

  5. solved in an organic solvent and diethyl ether was the most appropriate. The solvent

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    , the growth was hampe- red by a too large portion of wax. For detecting spores in beeswax, the wax was put into water (wax/water 1:10). The receptacle was placed into a water bath hea- ted up to 90 °C for 6 min, under the wax dissolved in diethyl ether. 80 ?L of this solution was smeared onto a plate with MYP

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Rhenium Complexes and Clusters Supported on c-Al2O3: Effects of Rhenium Oxidation State and Rhenium Cluster Size on Catalytic Activity for n-butane Hydrogenolysis

    SciTech Connect (OSTI)

    Lobo Lapidus, R.; Gates, B

    2009-01-01

    Supported metals prepared from H{sub 3}Re{sub 3}(CO){sub 12} on {gamma}-Al{sub 2}O{sub 3} were treated under conditions that led to various rhenium structures on the support and were tested as catalysts for n-butane conversion in the presence of H{sub 2} in a flow reactor at 533 K and 1 atm. After use, two samples were characterized by X-ray absorption edge positions of approximately 5.6 eV (relative to rhenium metal), indicating that the rhenium was cationic and essentially in the same average oxidation state in each. But the Re-Re coordination numbers found by extended X-ray absorption fine structure spectroscopy (2.2 and 5.1) show that the clusters in the two samples were significantly different in average nuclearity despite their indistinguishable rhenium oxidation states. Spectra of a third sample after catalysis indicate approximately Re{sub 3} clusters, on average, and an edge position of 4.5 eV. Thus, two samples contained clusters approximated as Re{sub 3} (on the basis of the Re-Re coordination number), on average, with different average rhenium oxidation states. The data allow resolution of the effects of rhenium oxidation state and cluster size, both of which affect the catalytic activity; larger clusters and a greater degree of reduction lead to increased activity.

  13. Mechanistic details of acid-catalyzed reactions and their role in the selective synthesis of triptane and isobutane from dimethyl ether

    E-Print Network [OSTI]

    Iglesia, Enrique

    and dimethyl ether (DME) to hydro- carbons provides a potential route to transportation fuels from C1 Transportation fuels a b s t r a c t We report here kinetic and isotopic evidence for the elementary steps involved in dimethyl ether (DME) homologation and for their role in the preferential synthesis of 2

  14. 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.

  15. 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.

  16. Study of optimal sequences and energy requirements of integrated processing systems

    SciTech Connect (OSTI)

    Al-Enezi, G.A.

    1986-01-01

    The increased demand for high quality unleaded gasoline produced from a refinery has caused an increased in developing processing alternatives for producing high-octane gasoline components. The production of methyl tertiary butyl ether is currently considered one of the most practical alternatives. The production of methyl tertiary butyl ether is based mainly on the availability of light hydrocarbons as a feed, such as isobutane from a refinery. The availability of isobutane is increased by isomerization of normal butanes. Even though distillation processes are widely used to separate mixtures of light hydrocarbons, they are highly energy intensive. A steady-state design of several configurations of distillation columns were studied for separating light hydrocarbon mixtures. A number of energy conservation alternatives were evaluated for the distillation process integrated with an isomerization unit. A modified form of the Complex Method of Box was used for optimizing the design and operating conditions of these energy conservation alternatives. The use of vapor recompression with distillation columns was evaluated as one of the alternatives. Despite the more complex processing scheme required, this alternative used only about 30% of the external energy required in a conventional distillation process for the same separation. The operating conditions of the multi-effect distillation columns were optimized as another alternative. Reduction in energy consumption for this case was about 40% compared to conventional distillation columns.

  17. Thesis proposal CSF Brazil 2014 Synthesis of new cellulose ethers using metathesis reactions -Study of their properties

    E-Print Network [OSTI]

    Bordenave, Charles

    , hydroxyle or amine functions. Their synthesis process generally needs a pre-treatment of the cellulose, hydroxyle or amine functions. Their synthesis process generally needs a pre-treatment of the cellulose of the hydroxyl of cellulose ethers, which are commercially available or described in the literature

  18. Laser Light-Scattering Study of Novel Thermoplastics. 2. Phenolphthalein Poly(ether sulfone) (PES-C)

    E-Print Network [OSTI]

    Wu, Chi

    Laser Light-Scattering Study of Novel Thermoplastics. 2. Phenolphthalein Poly(ether sulfone) (PES with that obtained from static laser light-scattering measurements. Introduction High-performance thermoplastics be dissolved in concentrated H2SO4, HSO3Cl, and CH3SO3H.6,7 Previously, we have studied a thermoplastic: phe

  19. Rate-Dependent Adhesion between Opposed Perfluoropoly(alkyl ether) Layers: Dependence on Chain-End Functionality and Chain Length

    E-Print Network [OSTI]

    Granick, Steve

    Rate-Dependent Adhesion between Opposed Perfluoropoly(alkyl ether) Layers: Dependence on Chain, UniVersity of Illinois, Urbana-Champaign, Urbana, Illinois 61801 ReceiVed: February 27, 1998 Adhesion, with particular attention to the dependence of the adhesion on chain-end functionality and chain length

  20. Title: Decomposition of ethanol and dimethyl-ether during CVD synthesis of single-walled carbon nanotubes

    E-Print Network [OSTI]

    Maruyama, Shigeo

    of ethanol and dimethyl-ether during CVD synthesis of single-walled carbon nanotubes Author list: Bo Hou (single-walled carbon nanotubes) was investigated. Gas-phase thermal decomposition of ethanol and DME ethanol and DME decomposition, confirming expected reaction trends and primary byproducts. Peak

  1. Bifunctional pathways mediated by Pt clusters and Al2O3 in the catalytic combustion of dimethyl ether{

    E-Print Network [OSTI]

    Iglesia, Enrique

    generation with small turbines or fuel cells.5­7 We have recently examined the catalytic combustion of DME Mixtures of Pt clusters dispersed on c-Al2O3 and additional c-Al2O3 led to much higher DME combustion. The physical properties of dimethyl ether (DME) resemble those of liquefied petroleum gas (LPG), making

  2. 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.

  3. 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.

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

    DOE Patents [OSTI]

    Ramprasad, Dorai (Allentown, PA); Waller, Francis Joseph (Allentown, PA)

    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.

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

    DOE Patents [OSTI]

    Peng, Xiang-Dong (Allentown, PA); Parris, Gene E. (Coopersburg, PA); Toseland, Bernard A. (Allentown, PA); Battavio, Paula J. (Allentown, PA)

    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.

  6. 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.

  7. 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.

  8. Characterization of the influence of 1-butyl-3-methylimidazolium chloride on the structure and thermal stability of green fluorescent protein

    SciTech Connect (OSTI)

    Heller, William T [ORNL; O'Neill, Hugh Michael [ORNL; Zhang, Qiu [ORNL; Baker, Gary A [ORNL

    2010-01-01

    Ionic liquids (ILs) are finding a vast array of applications as novel solvents for a wide variety of processes that include enzymatic chemistry, particularly as more biocompatible ILs are designed and discovered. While it is assumed that a native or near-native structure is required for enzymatic activity, there is some evidence that ILs alter protein structure and oligomerization states in a manner than can negatively impact function. The IL 1-butyl-3-methylimidazolium chloride, [bmim]Cl, is a well-studied, water-miscible member of the popular 1-alkyl-3-methylimidazolium IL family. To improve our understanding of the impact of water-miscible ILs on proteins, we have characterized the structure and oligomerization state of green fluorescent protein (GFP) in aqueous solutions containing 25 and 50 vol % [bmim]Cl using a combination of optical spectroscopy and small-angle neutron scattering (SANS). Measurements were also performed as a function of temperature to provide insight into the effect of the IL on the thermal stability of GFP. While GFP exists as a dimer in water, the presence of 25 vol % [bmim]Cl causes GFP to transition to a monomeric state. The SANS data indicate that GFP is a great deal less compact in 50 vol % [bmim]Cl than in neat water, indicative of unfolding from the native structure. The oligomerization state of the protein in IL-containing aqueous solution changes from a dimer to a monomer in response to the IL, but does not change as a function of temperature in the IL-containing solution. The SANS and spectroscopic results also demonstrate that the addition of [bmim]Cl to the solution decreases the thermal stability of GFP, allowing the protein to unfold at lower temperatures than in aqueous solution.

  9. 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.

  10. Zirconia-Supported MoOx Catalysts for the Selective Oxidation of Dimethyl Ether to Formaldehyde: Structure, Redox Properties, and Reaction Pathways

    E-Print Network [OSTI]

    Iglesia, Enrique

    Zirconia-Supported MoOx Catalysts for the Selective Oxidation of Dimethyl Ether to Formaldehyde* Department of Chemical Engineering, UniVersity of California at Berkeley, Berkeley, California 94720 Recei

  11. 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.

  12. 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.

  13. 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

  14. 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 45.55–69.95 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.

  15. A Fluorescence-Based Method for Rapid and Direct Determination of Polybrominated Diphenyl Ethers in Water

    SciTech Connect (OSTI)

    Shan, Huimei [China Univ. of Geosciences, Wuhan (China). Lab of Basin and Wetland Eco-Restoration; Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Liu, Chongxuan [China Univ. of Geosciences, Wuhan (China). Lab of Basin and Wetland Eco-Restoration; Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wang, Zheming [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ma, Teng [China Univ. of Geosciences, Wuhan (China). Lab of Basin and Wetland Eco-Restoration and State Key Lab. of Biogeology and Environmental Geology; Shang, Jianying [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Pan, Duoqiang [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    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 45.55–69.95 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. TABLE33.CHP:Corel VENTURA

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

    products are reported by the PAD District of entry. b Includes crude oil imported for storage in the Strategic Petroleum Reserve. c Includes ethyl tertiary butyl ether (ETBE),...

  2. TABLE34.CHP:Corel VENTURA

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

    products are reported by the PAD District of entry. b Includes crude oil imported for storage in the Strategic Petroleum Reserve. c Includes ethyl tertiary butyl ether (ETBE),...

  3. 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 the plant cell wall.

  4. 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.

  5. 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.

  6. (2R)-4-Oxo-4[3-(Trifluoromethyl)-5,6-diihydro:1,2,4}triazolo[4,3-a}pyrazin-7(8H)-y1]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes

    SciTech Connect (OSTI)

    Kim, D.; Wang, L.; Beconi, M.; Eiermann, G.; Fisher, M.; He, H.; Hickey, G.; Kowalchick, Jennifer; Leiting, Barbara; Lyons, K.; Marsilio, F.; McCann, F.; Patel, R.; Petrov, A.; Scapin, G.; Patel, S.; Roy, R.; Wu, J.; Wyvratt, M.; Zhang, B.; Zhu, L.; Thornberry, N.; Weber, A.

    2010-11-10

    A novel series of {beta}-amino amides incorporating fused heterocycles, i.e., triazolopiperazines, were synthesized and evaluated as inhibitors of dipeptidyl peptidase IV (DPP-IV) for the treatment of type 2 diabetes. (2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (1) is a potent, orally active DPP-IV inhibitor (IC{sub 50} = 18 nM) with excellent selectivity over other proline-selective peptidases, oral bioavailability in preclinical species, and in vivo efficacy in animal models. MK-0431, the phosphate salt of compound 1, was selected for development as a potential new treatment for type 2 diabetes.

  7. Determination of optical conductivity and different optical energy losses for non-crystalline Vanadyl tetra tert-butyl 2,3 Naphthalocyanine thinfilms

    SciTech Connect (OSTI)

    Dhanya, I.; Menon, C. S. [School of Pure and Applied Physics, Mahatma Gandhi University, Priyadarshini Hills, Kottayam, Kerala, 686 560 (India)

    2011-10-20

    Amorphous Vanadyl Tetra Tert Butyl 2, 3 naphthalocyanine thin films (VTTBNc) have been deposited using Physical Vapor Deposition technique. By analyzing the X-ray diffraction, the structure of as deposited films is found to be non-crystalline. Different optical properties of these thin films have been investigated by means of optical absorption and reflection spectra. Various optical constants like band gap energy, E{sub g} the width of band tails of localized states into the gap, E{sub U} and steepness parameter, {beta} gets calculated and the variation of different optical parameters like refractive index, extinction coefficient, dielectric constants, optical conductivity and surface and volume energy losses with photon energy are estimated.

  8. 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.

  9. ENVIRONMENTAL ENGINEERING SCIENCE Volume 20, Number 5, 2003

    E-Print Network [OSTI]

    Chu, Kung-Hui "Bella"

    -butyl ether (MTBE) is the most widely used oxygenate in gasoline, followed by ethanol. Widespread use in certain urban regions to reduce air pollution from motor vehi- cles. To meet the requirements of the CAAA), and diisopropyl ether (DIPE). Alcohol oxy- genates include ethanol (EtOH), tert-butyl alcohol (TBA), and methanol

  10. 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 would be allowed for methanol synthesis alone. Aromatic-rich hydrocarbon liquid (C5+), containing a significant amount of methylated benzenes, was produced under these conditions. However, selectivity control to liquid hydrocarbons was difficult to achieve. Carbon dioxide and methane formation was problematic. Furthermore, saturation of the olefinic intermediates formed in the zeolite, and necessary for gasoline production, occurred over PdZnAl. Thus, yield to desirable hydrocarbon liquid product was limited. Evaluation of other oxygenate-producing catalysts could possibly lead to future advances. Potential exists with discovery of other types of catalysts that suppress carbon dioxide and light hydrocarbon formation. Comparative techno-economics for a single-step syngas-to-distillates process and a more conventional MTG-type process were investigated. Results suggest operating and capital cost savings could only modestly be achieved, given future improvements to catalyst performance. Sensitivity analysis indicated that increased single-pass yield to hydrocarbon liquid is a primary need for this process to achieve cost competiveness.

  11. 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.

  12. Vapor-liquid equilibrium for methanol + 1,1-dimethylpropyl methyl ether at (288.15, 308.15, and 328.15) K

    SciTech Connect (OSTI)

    Moessner, F.; Coto, B.; Pando, C.; Rubio, R.G.; Renuncio, J.A.R. [Universidad Complutense, Madrid (Spain). Departamento de Quimica Fisica 1] [Universidad Complutense, Madrid (Spain). Departamento de Quimica Fisica 1

    1996-05-01

    Oxygenated compounds are being used as additives to gasoline because of their antiknock effects. Vapor-liquid equilibria for methanol + 1,1-dimethylpropyl methyl ether (tert-amyl methyl ether or TAME) have been measured at (288.15, 308.15, and 328.15) K. A Gibbs-Van Ness type apparatus for total vapor pressure measurements has been used. The system shows positive deviations from Raoult`s law with an azeotrope, whose coordinates are reported at the three temperatures studied. Results have been analyzed in terms of the UNIQUAC model, several versions of the UNIFAC model, and the modified-Huron-Vidal second-order (MHV2) group contribution equation of state.

  13. 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, E-mail: heaven@umich.edu; 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 47–64.5% 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 necessary for placental development and successful pregnancy, further investigation is warranted of the impact of ROS and BDE-47 on trophoblast cytokine responses. - Highlights: • BDE-47 induced ROS overproduction and mitochondrial dysfunction. • BDE-47 stimulated production of proinflammatory cytokines. • Antioxidant treatment reduced BDE-47-stimulated ROS generation and cytokine release.

  14. 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)

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

    SciTech Connect (OSTI)

    Garcia-Becerra, Rocio [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico)] [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico); Diaz, Lorenza, E-mail: lorenzadiaz@gmail.com [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico)] [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico); Camacho, Javier [Department of Pharmacology, Centro de Investigacion y de Estudios Avanzados, Instituto Politecnico Nacional, Av. Instituto Politecnico Nacional 2508, San Pedro Zacatenco 07360, Mexico, D.F. (Mexico)] [Department of Pharmacology, Centro de Investigacion y de Estudios Avanzados, Instituto Politecnico Nacional, Av. Instituto Politecnico Nacional 2508, San Pedro Zacatenco 07360, Mexico, D.F. (Mexico); Barrera, David; Ordaz-Rosado, David; Morales, Angelica [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico)] [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico); Ortiz, Cindy Sharon [Department of Pathology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico)] [Department of Pathology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico); Avila, Euclides [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico)] [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico); Bargallo, Enrique [Department of Breast Tumors, Instituto Nacional de Cancerologia, Av. San Fernando No. 22, Tlalpan 14080, Mexico, D.F. (Mexico)] [Department of Breast Tumors, Instituto Nacional de Cancerologia, Av. San Fernando No. 22, Tlalpan 14080, Mexico, D.F. (Mexico); Arrecillas, Myrna [Department of Pathology, Instituto Nacional de Cancerologia, Av. San Fernando No. 22, Tlalpan 14080, Mexico, D.F. (Mexico)] [Department of Pathology, Instituto Nacional de Cancerologia, Av. San Fernando No. 22, Tlalpan 14080, Mexico, D.F. (Mexico); Halhali, Ali; Larrea, Fernando [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico)] [Department of Reproductive Biology, Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran, Vasco de Quiroga No. 15, Tlalpan 14000 Mexico, D.F. (Mexico)

    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.

  16. 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.

  17. 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.

  18. 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)

  19. 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.

  20. Acute toxicity of smoke screen materials to aquatic organisms, white phosphorus-felt, red phosphorus-butyl rubber and SGF No. 2 fog oil. Final report

    SciTech Connect (OSTI)

    Poston, T.M.; McFadden, K.M.; Bean, R.M.; Clark, M.L.; Thomas, B.L.; Killand, B.W.; Prohammer, L.A.; Kalkwarf, D.R.

    1986-04-01

    The acute toxicity of three obscurants was determined for nine freshwater organisms. The materials tested were white phosphorus-felt smoke, red phosphorus-butyl rubber (RP-BR) smoke, and smoke generator fuel (SGF) No. 2 fog oil (bulk and vaporized). The chemistry of WP-F and RP-BR smoke in water and the resulting effects on aquatic organisms are similar. Combustion of these two obscurants and their deposition in water leads to the formation of many complex oxy-phosphoric acids. Rates of hydrolysis of these complex products to ortho-phosphate were inconsistent and unpredictable over time. These products acidify water and produce toxic effects after exhausting the buffering capacity of the water. Acute 96 hr tests using Daphnia magna with neutralized and nonneutralized exposure solutions indicated that the presence of unidentified toxic component(s) acted independently of pH. At pH levels of 6.0 to 7.0, phosphorus combustion products precipitated out of solution leading to a bimodal toxic response in extended 96-hr tests with Daphnia magna. Most components of fog oil had low solubility in water. Saturation was apparent at approximately 0.1 to 0.3 mg/L total oil. Vaporization had no demonstrable effect on the chemistry or toxicity of the fog oil. Neither the bulk fog oil nor the vaporized fog oil was acutely toxic to freshwater animals at concentrations less than 10 mg/L total oil. In oil-water mixes in excess of 1.0 mg/L total oil, fog oil quickly separated and floated to the surface. The primary hazard associated with vaporized and bulk fog oil was the physical effect of oil fouling the organisms. Photolysis increased the concentration of water-soluble components of the fog oil. Acute toxicity was demonstrated in oil-water mixes (approx.10 mg/L total oil) of photolyzed bulk and vaporized fog oil. No difference in toxicity was observed between photolyzed and non-photolyzed dilutions of OWM at comparable levels of total oil.

  1. Synthesis of Methanol and Dimethyl Ether from Syngas over Pd/ZnO/Al2O3 Catalysts

    SciTech Connect (OSTI)

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

    2012-10-01

    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 250°C to 380°C. High temperatures (e.g. 380°C) 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 220-280°C, suffers from a rapid deactivation when the reaction is conducted at high temperature (>320°C). On the contrary, a Pd/ZnO/Al2O3 catalyst was found to be highly stable for methanol and DME synthesis at 380°C. The Pd/ZnO/Al2O3 catalyst was thus further investigated for methanol and DME synthesis at P=34-69 bars, T= 250-380°C, 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 GHSV’s 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 Pdº 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.

  2. Fueling Requirements for Steady State high butane current fraction discharges

    SciTech Connect (OSTI)

    R.Raman

    2003-10-08

    The CT injector originally used for injecting CTs into 1T toroidal field discharges in the TdeV tokamak was shipped PPPL from the Affiliated Customs Brokers storage facility in Montreal during November 2002. All components were transported safely, without damage, and are currently in storage at PPPL, waiting for further funding in order to begin advanced fueling experiments on NSTX. The components are currently insured through the University of Washington. Several technical presentations were made to investigate the feasibility of the CT injector installation on NSTX. These technical presentations, attached to this document, were: (1) Motivation for Compact Toroida Injection in NSTX; (2) Assessment of the Engineering Feasibility of Installing CTF-II on NSTX; (3) Assessment of the Cost for CT Installation on NSTX--A Peer Review; and (4) CT Fueling for NSTX FY 04-08 steady-state operation needs.

  3. LIQUID BUTANE FILLED LOAD FOR A LINER DRIVEN PEGASUS EXPERIMENT

    SciTech Connect (OSTI)

    M.A. SALAZAR; W. ANDERSON; ET AL

    2001-06-01

    A hydrogen rich, low density liquid, contained within the internal volume of a cylindrical liner, was requested of the Polymers and Coatings Group (MST-7) of the Los Alamos Materials Science Division for one of the last liner driven experiments conducted on the Los Alamos Pegasus facility. The experiment was a continuation of the Raleigh-Taylor hydrodynamics series of experiments and associated liners that have been described previously [1,2].

  4. Liquid butane filled load for a liner driven Pegasus experiment.

    SciTech Connect (OSTI)

    Salazar, M. A.; Armijo, E. V.; Anderson, W. E.; Atchison, W. L.; Bartos, J. J.; Garcia, F.; Randolph, B.; Sheppard, M. G.; Stokes, J. L.

    2001-01-01

    A hydrogen rich, low density liquid, contained within the internal volume of a cylindrical liner, was requested of the Polymers and Coatings Group (MST-7) of the Los Alamos Materials Science Division for one of the last liner driven experiments conducted on the Los Alamos Pegasus facility. The experiment (Fig.1) was a continuation of the Raleigh-Taylor hydrodynamics series of experiments and associated liners that have been described previously.

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

    SciTech Connect (OSTI)

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

    2014-06-28

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

  6. Petroleum Supply Monthly

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

    butyl ether). Blends up to 15.0 percent by volume MTBE which must meet the ASTM D4814 specifications. Blenders must take precautions that the blends are not used as base...

  7. untitled

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

    butyl ether). Blends up to 15.0 percent by volume MTBE which must meet the ASTM D4814 specifications. Blenders must take precautions that the blends are not used as base...

  8. Modulators of Toll-like Receptors-4 and -2

    E-Print Network [OSTI]

    Wu, Wenyan

    2009-08-31

    ?OEt2 – boron trifluoride diethyl etherate BnBr – benzyl bromide br - broad Boc – di-tert-butyl carbonate BPI – bactericidal permeability increasing protein CH3CN – acetonitrile C15H31COCl – palmitoyl chloride CTL – cytotoxic T lymphocyte DAB...

  9. 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.

  10. 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.

  11. 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, E-mail: lily1001224@gmail.com [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China); Li, Chia-Jung, E-mail: 97751101@stmail.tcu.edu.tw [Institute of Medical Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Institute of Medical Sciences, Tzu Chi University, Hualien, Taiwan (China); Huang, Lin-Huang, E-mail: yg1236@yahoo.com.tw [School of Medicine, Institute of Traditional Medicine, National Yang-Ming University, Taipei, Taiwan (China)] [School of Medicine, Institute of Traditional Medicine, National Yang-Ming University, Taipei, Taiwan (China); Chen, Chun-Yao, E-mail: cychen@mail.tcu.edu.tw [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China); Tsai, Chun-Hao, E-mail: 100726105@stmail.tcu.edu.tw [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China); Lin, Chun-Nan, E-mail: lincna@cc.kmu.edu.tw [Faculty of Pharmacy, College of Pharmacy, Kaohsiung Medical University, Kaohsiung, Taiwan (China) [Faculty of Pharmacy, College of Pharmacy, Kaohsiung Medical University, Kaohsiung, Taiwan (China); Department of Biological Science and Technology, School of Medicine, China Medical University, Taichung, Taiwan (China); Hsu, Hsue-Yin, E-mail: hsueyin@mail.tcu.edu.tw [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)

    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 ?M. 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 ?M 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/Erk pathway.

  12. 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 1–2 orders of magnitude higher than other samples. It suggested that PBDEs released from e-waste via dust, and then transferred to surrounding environment.

  13. LANXESS Global Butyl Rubber Research Facility

    E-Print Network [OSTI]

    Denham, Graham

    or improve existing petrochemical products. They're then used for plastics, fragrance and cosmetics," Hartmann said.BioAmber's process is cheaper than conventional petroleum-based routes, he said. It

  14. 12-11-24 7:47 PMModernity, the Cold War, and New Whig Histories of Ideas, Pt. 3 Ether Wave Propaganda Page 1 of 6http://etherwave.wordpress.com/2012/11/17/modernity-the-cold-war-and-new-whig-histories-of-ideas-pt-3/

    E-Print Network [OSTI]

    Solovey, Mark

    12-11-24 7:47 PMModernity, the Cold War, and New Whig Histories of Ideas, Pt. 3 « Ether Wave Propaganda Page 1 of 6http://etherwave.wordpress.com/2012/11/17/modernity-the-cold-war-and-new-whig-histories-of-ideas-pt-3/ Modernity, the Cold War, and New Whig Histories of Ideas, Pt. 3 November 17, 2012 Posted

  15. 13-03-09 9:32 PMModernity, the Cold War, and New Whig Histories of Ideas, Pt. 1 | Ether Wave Propaganda Page 1 of 6http://etherwave.wordpress.com/2012/09/22/modernity-the-cold-war-and-new-whig-histories-of-ideas-pt-1/

    E-Print Network [OSTI]

    Solovey, Mark

    13-03-09 9:32 PMModernity, the Cold War, and New Whig Histories of Ideas, Pt. 1 | Ether Wave Propaganda Page 1 of 6http://etherwave.wordpress.com/2012/09/22/modernity-the-cold-war-and-new-whig-histories-of-ideas-pt-1/ Modernity, the Cold War, and New Whig Histories of Ideas, Pt. 1 September 22, 2012 Posted

  16. 13-03-09 9:37 PMModernity, the Cold War, and New Whig Histories of Ideas, Pt. 2 | Ether Wave Propaganda Page 1 of 4http://etherwave.wordpress.com/2012/10/21/modernity-the-cold-war-and-new-whig-histories-of-ideas-pt-2/

    E-Print Network [OSTI]

    Solovey, Mark

    13-03-09 9:37 PMModernity, the Cold War, and New Whig Histories of Ideas, Pt. 2 | Ether Wave Propaganda Page 1 of 4http://etherwave.wordpress.com/2012/10/21/modernity-the-cold-war-and-new-whig-histories-of-ideas-pt-2/ Modernity, the Cold War, and New Whig Histories of Ideas, Pt. 2 October 21, 2012 Posted

  17. Index of Subjects Abbreviations ix,203-6

    E-Print Network [OSTI]

    Hall, Christopher

    (acrylic acid) and Poly(methyl methacrylate) PMMA Acrylonitrile-butadiene copolymer (nitrile rubber NBR) 2 Acrylonitrile-styrene-butadiene ABS 2-5, 41-2,76, 78,136,154,156, 203, 209-10, 224 Addition reaction 23-5, 33 modulus 57,70,92 Bulk polymerisation 31 Butadiene 5,167,169,217 Butane 11 Butene 219 Butyl acetate 181

  18. Probing the activation of histone deacetylase 3 using computer simulations /

    E-Print Network [OSTI]

    Arrar, Mehrnoosh

    2014-01-01

    of butane . . . . . . . . . . . . . . . . . Conformationalsimulations of two systems: butane and cyclohexane, both insolvent. For the case of butane, conventional MD, and thus

  19. 13-03-09 9:30 PMCold War Social Science and the Rubric of the "Cold War" | Ether Wave Propaganda Page 1 of 6http://etherwave.wordpress.com/2012/09/06/cold-war-social-science-and-the-rubric-of-the-cold-war/

    E-Print Network [OSTI]

    Solovey, Mark

    13-03-09 9:30 PMCold War Social Science and the Rubric of the "Cold War" | Ether Wave Propaganda Page 1 of 6http://etherwave.wordpress.com/2012/09/06/cold-war-social-science-and-the-rubric-of-the-cold-war/ Cold War Social Science and the Rubric of the "Cold War" September 6, 2012 Posted by Will Thomas in EWP

  20. Resonance Raman Spectroscopy of 0-A12O3- Supported Vanadium Oxide Catalysts for Butane Dehydrogenation

    SciTech Connect (OSTI)

    Wu, Zili; Kim, Hack-Sung; Stair, Peter

    2008-01-01

    This chapter contains sections titled: Introduction; Structure of Al{sub 2}O{sub 3}-Supported Vanadia Catalysts; Quantification of Surface VOx Species on Supported Vanadia Catalysts; Conclusion; Acknowledgements; and References.

  1. ==================== !"#$%&'()*+,-+./,0)12 Development of Micro Ejector for Butane Catalytic Combustor

    E-Print Network [OSTI]

    Kasagi, Nobuhide

    . 3 Effect of total pressure on the primary flow rate. (c)(b)(a) 42 µm 60 µm Rough Heat Exchanger pressure of ejector is set as 11.6 Pa. Yong FAN, Yuji SUZUKI and Nobuhide KASAGI Department of Mechanical Combustor, Convergent-divergent Nozzle, Ejector, Back pressure. Fig. 1 Configuration of micro heat

  2. 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 DME, which is subsequently converted via homologation reactions to high-octane, gasoline-range hydrocarbon products.

  3. Simultaneous optimization and heat integration for the co-production of diesel substitutes

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    consumption of the resulting process. The production of glycerol ethers increases the yield of diesel1 Simultaneous optimization and heat integration for the co-production of diesel substitutes the integration of the etherification of glycerol for the production of tert butyl glycerol with the production

  4. 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).

  5. 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.

  6. Appendix: Bibliography of Technical Reports of the National Cancer Institute/ National Toxicology Program

    E-Print Network [OSTI]

    Gold, Lois Swirsky

    95 108 1978 1,3-Butadiene 288 1984 1,3-Butadiene 434 1993 2-Butoxyethanol 484 2000 tert-Butyl alcohol(bromomethyl)-1,3-propanediol 452 1996 Bis(2-chloro-1-methylethyl) ether 191 1979 #12;--2-- Bis(2-chloro-1

  7. Enhanced anaerobic biodegradation of BTEX-ethanol mixtures in aquifer columns amended with sulfate, chelated ferric iron or nitrate

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    -mail: alvarez@rice.edu) Key words: anaerobic biostimulation, bioremediation, BTEX, ethanol, natural attenuation and ground water contamination by methyl tert-butyl ether (MTBE) have made policy makers more cognizant approaches. BTEX bioremediation efforts often rely on the addition of oxygen and nutrients to stimulate

  8. Role of Volatilization in Changing TBA and MTBE Concentrations at

    E-Print Network [OSTI]

    a low affinity for gasoline (low Kfw, Table 1). Therefore, minute amounts of TBA in the MTBE blended tertiary butyl ether (MTBE) added to gasoline. Frequent observations of high TBA, and especially rising TBA/MTBE concentration ratios, in groundwater at gasoline spill sites are generally attributed to microbial conversion

  9. BF3-Mediated Addition of Lithium Phenylacetylide to an Imine: Correlations of Structures and Reactivities. BF3,R3N Derivatives as

    E-Print Network [OSTI]

    Collum, David B.

    BF3-Mediated Addition of Lithium Phenylacetylide to an Imine: Correlations of Structures of lithium phenylacetylide (PhCCLi) to the N-(n-butyl)imine of cyclohexane carboxaldehyde were investigated of acetals,16 epoxides,17-22 and unstrained cyclic ethers.23,24 BF3 has been used in conjunction

  10. Biotreatment of groundwater contaminated with MTBE: interaction of common environmental co-contaminants

    E-Print Network [OSTI]

    Biotreatment of groundwater contaminated with MTBE: interaction of common environmental co of groundwater with the gasoline additive methyl tert-butyl ether (MTBE) is often accompanied by many aromatic, a laboratory-scale biotrickling filter for groundwater treatment inoculated with a microbial consortium

  11. 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.

  12. 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.

  13. Source characteristics of volatile organic compounds during high ozone episodes in Hong Kong, Southern China

    E-Print Network [OSTI]

    Zhang, J.; Wang, T.; Chameides, W. L; Cardelino, C.; Blake, D. R; Streets, D. G

    2008-01-01

    TO EPD sites Methane Ethane Propane n-butane i-butane n-to Source Category Species Ethane Propane n-butane i-butane9. Ratios of n-butane-to-ethane vs. propane-to-ethane from

  14. 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).

  15. Dimethyl Ether Market | OpenEI Community

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to: navigation,Department ofEnergieSize Home There areMarket

  16. OpenEI Community - Dimethyl Ether Market

    Open Energy Info (EERE)

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

  17. Reactivity of the Quinone Methide of Butylated hydroxytoluene in Solution

    E-Print Network [OSTI]

    Willcockson, Maren Gulsrud

    2011-08-31

    8 pH Measurements 9 High Performance Liquid Chromatography (HPLC) Analysis 9 Ultra Violet-Visible Spectrophotometry (UV-Vis) Analysis 9 Kinetic Studies 10 Generation of Standard Curves 10 Calculation of Mole... at 285 nm and Dionex Chromeleon analysis software (Sunnyvale, CA) was used to integrate peak area. Ultra Violet-Visible Spectrophotometry (UV-Vis) Analysis Shimadzu UV-1700 (Japan) Ultra Violet-Visible Spectrophotometer (UV-Vis) equipped...

  18. Butyl acetate replaces toluene to remove phenol from water

    SciTech Connect (OSTI)

    Hodel, A.E.

    1993-03-01

    Plastics Engineering Co. manufactures phenol formaldehyde resins and molding compounds at a plant in Sheboygan, WI. Process water from the plant, containing 7% phenol and 1% methanol, requires treatment prior to discharge to the sewer. Toluene was used as a solvent in a countercurrent liquid-liquid extraction column. A vacuum distillation of the extract separated the phenol and toluene. The raffinate (1% methanol, 98% water and 1% toluene) was stripped to recover the toluene and remove methanol from the bottoms prior to discharge. Methanol was not recovered. Disposal costs for the waste methanol (with about 10% toluene as an azeotrope) were high.

  19. Conversion of Lignocellulosic Biomass to Ethanol Butyl Acrylate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:FinancingPetroleum Based Fuels|ProgramsLakeDepartment of Energy3-1Department of

  20. 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.

  1. Clearing the Air? The Effects of Gasoline Content Regulation on Air Quality

    E-Print Network [OSTI]

    Auffhammer, Maximilian; Kellogg, Ryan

    2009-01-01

    components—particularly butane—in the gasoline they sell (times more reactive than butane, the compound that refinersprimarily by removing the VOC butane from their gasoline, as

  2. The role of Entamoeba histolytica Cysteine Proteinase 1 (EhCP1) in the pathogenesis of amebiasis

    E-Print Network [OSTI]

    Melendez-Lopez, Samuel G.

    2007-01-01

    leucylamido (4-guanidino) butane (E- 64) and its analoguesleucylamido-(4- guanidino) butane ECM Extracellular Matrixleucylamido-(4-guanidino) butane (E-64) and not by the

  3. Anion effects in the extraction of lanthanide 2-thenoyltrifluoroacetone complexes into an ionic liquid

    SciTech Connect (OSTI)

    Jensen, Mark P.; Beitz, James V.; Rickert, Paul G.; Borkowski, Marian; Laszak, Ivan; Dietz, Mark L.

    2012-07-01

    The extraction of trivalent lanthanides from an aqueous phase containing 1 M NaClO{sub 4} into the room temperature ionic liquid 1-butyl-3-methylimidazolium nonafluoro-1-butane sulfonate by the beta-diketone extractant 2-thenoyltrifluoroacetone (Htta) was studied. Radiotracer distribution, absorption spectroscopy, time-resolved laser-induced fluorescence spectroscopy, and X-ray absorption fine structure measurements point to the extraction of multiple lanthanide species. At low extractant concentrations, fully hydrated aqua cations of the lanthanides are present in the ionic liquid phase. As the extractant concentration is increased 1:2 and 1:3 lanthanide:tta species are observed. In contrast, 1:4 Ln:tta complexes were observed in the extraction of lanthanides by Htta into 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide. (authors)

  4. 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.

  5. Emissions of volatile organic compounds inferred from airborne flux measurements over a megacity

    E-Print Network [OSTI]

    Karl, T.; Apel, E.; Hodzic, A.; Riemer, D. D; Blake, D. R; Wiedinmyer, C.

    2009-01-01

    ethane, ethene, propane, propene, acetylene, i- butane,n-butane, 1-butene, trans-2-butene, cis-2-butene, i-pentane,some alkanes (e.g. propane, i-butane, n-butane) (Blake and

  6. Reactions at surfaces in the atmosphere: Integration of experiments and theory as necessary (but not necessarily sufficient) for predicting the physical chemistry of aerosols

    E-Print Network [OSTI]

    Finlayson-Pitts, B J

    2009-01-01

    of the individual alkanes in a gaseous mixture of n-butane,i-butane and propane exposed to either pure NaNO 3 particlesthe measured ratio of i-butane to n-butane as a function of

  7. Vehicular emission of volatile organic compounds (VOCs) from a tunnel study in Hong Kong

    E-Print Network [OSTI]

    2009-01-01

    ethene toluene n-butane propane i-pentane i-butane propeneethene, toluene, n-butane, propane and i-pentane. These fiveVOCs emitted. The high propane and n-butane emissions were

  8. Hydrogen-assisted catalytic ignition characteristics of different fuels

    SciTech Connect (OSTI)

    Zhong, Bei-Jing; Yang, Fan; Yang, Qing-Tao

    2010-10-15

    Hydrogen-assisted catalytic ignition characteristics of methane (CH{sub 4}), n-butane (n-C{sub 4}H{sub 10}) and dimethyl ether (DME) were studied experimentally in a Pt-coated monolith catalytic reactor. It is concluded that DME has the lowest catalytic ignition temperature and the least required H{sub 2} flow, while CH{sub 4} has the highest catalytic ignition temperature and the highest required H{sub 2} flow among the three fuels. (author)

  9. An integrated process for simultaneous desulfurization, dehydration, and recovery of hydrocarbon liquids from natural gas streams

    SciTech Connect (OSTI)

    Sciamanna, S.F. ); ))

    1988-01-01

    Conventional processing schemes for desulfurizing, drying, and separation of natural gas liquids from natural gas streams require treating the gas by a different process for each separation step. In a simpler process, based on the University of California, Berkeley Sulfur Recovery Process (UCBSRP) technology, hydrogen sulfide, propane and heavier hydrocarbons, and water are absorbed simultaneously by a polyglycol ether solvent containing a homogenous liquid phase catalyst. The catalyst promotes the subsequent reaction of hydrogen sulfide with added sulfur dioxide to produce a high quality sulfur product. Hydrocarbons are separated as two product streams with the split between propane and butane. This new process offers an overall reduction in both capital and energy costs.

  10. JOURNAL OF GEOPHYSICAL RESEARCH, VOL. 101, NO. D22, PAGES 29,061-29,074, DECEMBER 20, 1996 Measurement of O3 and related compounds

    E-Print Network [OSTI]

    determinedusingphotochemicalageestimatesderived from the ratios,In (n-butane/propane)andIn (/-butane/propane).Age estimatesare used

  11. Regional Analysis of Nonmethane Volatile Organic Compounds in the Lower Troposphere of the Southeast

    E-Print Network [OSTI]

    Aneja, Viney P.

    , acetylene, propane, i-butane, and n-butane with a winter maximum and a summer minimum. An analysis

  12. 1MSE 2090: Introduction to Materials Science Chapter 14, Polymer Structures Chapter Outline: Polymer Structures

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    the same atoms) but have different atomic arrangement. An example is butane and isobutane: Butane C4H10

  13. Interaction of Dimethylmethylphosphonate with Zeolite Y: Impedance-Based Sensor for Detecting Nerve Agent Simulants

    E-Print Network [OSTI]

    Dutta, Prabir K.

    increased impedance upon exposure to butane, and was proposed to arise from blocking effects of the butane

  14. Measurements of OH and HO2 concentrations during the MCMA-2006 field campaign - Part 2: Model comparison and radical budget

    E-Print Network [OSTI]

    2009-01-01

    acetonitrile, ethylacetate Measured Propane, i-butane,n-butane, 2,2-dimethylbutane, ethyne Canister speciation vs.

  15. Pergamon Atmospheric Environment Vol. 31, No. 23, pp. 4017 4038, 1997 X-1997 Elsevier Science Ltd

    E-Print Network [OSTI]

    Aneja, Viney P.

    , propane, n-butane, iso-butane, ethene and acetylene) display a seasonal variation of a winter maximum

  16. "Nanocrystal bilayer for tandem catalysis"

    E-Print Network [OSTI]

    Yamada, Yusuke

    2012-01-01

    Part VI. Hydrogenolysis of Ethane, Propane, n-Butane andiso-Butane over Supported Platinum Catalysts. J. Catal. 176,

  17. Atmos. Chem. Phys., 8, 17371750, 2008 www.atmos-chem-phys.net/8/1737/2008/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    chemistry, and [isobutane]/[n-butane] and [methyl ethyl ketone]/[n- butane] are used to study the extent

  18. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    E-Print Network [OSTI]

    2015-01-01

    Assessment of the spatial and temporal variability of bulk hydrocarbon respiration following the Deepwater Horizon oilthe Coal Oil Point seep. Samples for the method assessment

  19. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    E-Print Network [OSTI]

    2015-01-01

    the Coal Oil Point seeps, offshore California. Spatial andthe red star) is located offshore Goleta, California. Arrows

  20. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    E-Print Network [OSTI]

    2015-01-01

    Valentine (2015), Marine microbes rapidly adapt to consumeassess the timing by which microbes metabolize these gases,valentine@geol.ucsb.edu Marine microbes rapidly adapt to

  1. J. Am. Chem. SOC.1988, 110, 8305-8319 8305 Hydrogenolysis of Ethane, Propane, n-Butane, and Neopentane

    E-Print Network [OSTI]

    Goodman, Wayne

    J. Am. Chem. SOC.1988, 110, 8305-8319 8305 Hydrogenolysis of Ethane, Propane, n, Pasadena, California 91125. Received February I, 1988 Abstract: The hydrogenolysisof ethane, propane, n for ethane, propane, and neopentane involvesthe cleavage of a single carbon-carbon bond, resulting

  2. Effects of oxygenate concentration on species mole fractions in premixed n-heptane flames

    E-Print Network [OSTI]

    Senkan, Selim M.

    -heptane/oxygenate mixtures were 2.7 and 3.4. Three different fuel oxygenates (i.e. MTBE, methanol, and ethanol) were tested in these emissions is the improvement in motor vehicle fuel properties. Fuel oxygenates were first used as an octane.e. oxygenates) such as alcohols (e.g. methanol, ethanol, and tertiary butyl alcohol) and ethers (e.g. methyl

  3. 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.

  4. 4912r 2010 American Chemical Society pubs.acs.org/EF Energy Fuels 2010, 24, 49124918 : DOI:10.1021/ef1007962

    E-Print Network [OSTI]

    Gülder, Ömer L.

    of Binary Mixtures of Ethylene and Butane Isomers and Synergistic Effects Ahmet E. Karatas-,* Mario Commodo fractions of binary mixtures of butane isomers, ethylene-butane isomers, and propane- butane isomers were. Binary mixtures of iso-butane and n-butane did not show any synergistic effects on soot formation

  5. 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.

  6. Direct Dimethyl Ether Polymer Electrolyte Fuel Cells for Portable Applications

    E-Print Network [OSTI]

    ,15 Due to molecular simplicity and ease of oxidation, H2 PEFCs have a high power density 0.7 W/cm2 of the DMFC compared to the H2 PEFC is deemed tolerable in light of the ease and storage density of liquid that needs to be considered in system power density calculations. In terms of toxicity, methanol is poisonous

  7. Verstrepen Lab Yeast genomic DNA fast prep (ether extraction method)

    E-Print Network [OSTI]

    -buffer. Then add 250 L glass beads (0.45mm diameter) and 150 L PCI. 4. Vortex tubes 20 min in cold room OR use phase into a new tube, and add 800 L diethylether. 7. Vortex 15 sec. 8. Spin tubes 10 min, 10,000g, 4°CL screwcap tube for 2 min at 2000 rpm. 3. Remove supernatant and resuspend the cell pellet in 150L TE

  8. 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.

  9. The Ether Extract and the Chloroform Extract of Soils. 

    E-Print Network [OSTI]

    Fraps, G. S.; Rather, J. B.

    1913-01-01

    U T I N O . L N 15U L T J A U RY ,9 3L D T 9 J V S J D 3L Y FT C . J 1913 TEXAS AGRICULTURAL EXPERIMENT STATIONS. GOVERNING BOARD. (Board of Directors, A . and M . College.) TH EH RXACNDLO President..................................................................................................Entomologist PH EH RFDDUGO B. S ........................................................................................................ Agronomist lH MMH EIg)ST??O (C H 1)................................................P lant Pathologist and Physiologist o Uu...

  10. Extractant composition including crown ether and calixarene extractants

    DOE Patents [OSTI]

    Meikrantz, David H. (Idaho Falls, ID); Todd, Terry A. (Aberdeen, ID); Riddle, Catherine L. (Idaho Falls, ID); Law, Jack D. (Pocalello, ID); Peterman, Dean R. (Idaho Falls, ID); Mincher, Bruce J. (Idaho Falls, ID); McGrath, Christopher A. (Blackfoot, ID); Baker, John D. (Blackfoot, ID)

    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.

  11. Catalytic Asymmetric Synthesis of Hydroxy Enol Ethers: Approach to a

    E-Print Network [OSTI]

    Walsh, Patrick J.

    . Vagelos Laboratories, UniVersity of PennsylVania, Philadelphia, PennsylVania 19104 pwalsh@sas.upenn.edu Received February 7, 2005 ABSTRACT Hydroboration of ethoxy acetylene, transmetalation to zinc, and addition to -Hydroxy Aldehydes ORGANIC LETTERS 2005 Vol. 7, No. 9 1729-1732 10.1021/ol050255n CCC: $30.25 © 2005

  12. Polybrominated diphenyl ether flame retardants in the antarctic environment 

    E-Print Network [OSTI]

    Yogui, Gilvan Takeshi

    2009-05-15

    of Quantification m/z mass-to-charge ratio MDL Method Detection Limit MS Mass Spectrometry (or Mass Spectrometer) MSA Methanesulfonic Acid n number of samples nd not detected NIST National Institute of Standards and Technology NOAA National Oceanic... 13 was associated with the particulate phase (Oros et al., 2005). Average concentrations in sediments were 9.63 ng g-1 dry weight (dw) (range: nd-212 ng g-1 dw). According to the authors, these concentrations are higher than concentrations observed...

  13. Copper mediated synthesis of mono-and dichlorinated diaryl ethers

    E-Print Network [OSTI]

    Cirkva, Vladimir

    ): (ppm) 158.32, 156.28, 135.01, 130.45, 129.91, 123.98, 123.15, 119.40, 118.75, 116.66. GC/MS (EI, 70 e and after compound. Electron impact (EI) mass spectra (Thermo Scientific Focus DSQ) were determined (CDCl3, 75 MHz): (ppm) 157.19, 129.68, 123.15, 118.83. GC/MS (EI, 70 eV): m/z (%) 171 (13), 170 (M

  14. Polybrominated Diphenyl Ethers in the Sediments of the Great Lakes.

    E-Print Network [OSTI]

    Rockne, Karl J.

    products, sewage and sludge releases, and the leaching from landfills (4). Due to their widespread use, and hormone-disrupting effects is also mounting rapidly (3, 4). Since first reported in soil and sludge from

  15. Alternative Fuels lDimethyl Ether Rheology and Materials Studies

    Broader source: Energy.gov [DOE]

    2004 Diesel Engine Emissions Reduction (DEER) Conference Presentation: The Pennsylvania State University

  16. Dimethyl Ether Market Size | OpenEI Community

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to: navigation,Department ofEnergieSize Home There are

  17. Dimethyl Ether Market Trends | OpenEI Community

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to: navigation,Department ofEnergieSize Home There are

  18. OpenEI Community - Dimethyl Ether Market Size

    Open Energy Info (EERE)

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

  19. OpenEI Community - Dimethyl Ether Market Trends

    Open Energy Info (EERE)

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

  20. Atmos. Chem. Phys., 6, 32813288, 2006 www.atmos-chem-phys.net/6/3281/2006/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    comprised mainly of n-butane, propane and i-butane. Traffic samples indicated that evaporative loss of propane, i-butane, and n- butane increased between 2001 to 2003, consistent with the Correspondence to: L. Y. Chan (celychan@polyu.edu.hk) 40% increase in LPG fueled vehicles. Propane to butanes ra- tios

  1. SUPPORTING INFORMATION An MCM modeling study of nitryl chloride (ClNO2) impacts on oxidation,

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    methacrolein 10 10 propanal 90 20 butanal 20 4 ethane 3120 440 propane propane 1940 330 i-butane i-butane 510 70 n-butane n-butane 1200 190 i-pentane 780 100 n-pentane n-petane 350 40 hexane 250 30 nonane 40 2

  2. Homogeneous Non-Equilibrium Molecular Dynamics Methods for Calculating the Heat Transport Coefficient of Solids and Mixtures

    E-Print Network [OSTI]

    Mandadapu, Kranthi Kiran

    2011-01-01

    of flexible molecules - Butane. Molecular Physics, 81(6):in polyatomic fluids: n-Butane as an illustration. Chemicalfor two models of liquid Butane. Chemical Physics, 198(1-2):

  3. Sum Frequency Generation Studies of Hydrogenation Reactions on Platinum Nanoparticles

    E-Print Network [OSTI]

    Krier, James Michael

    2013-01-01

    catalysts. Formation of n-butane occurs at the expense of 1-products (butenes), butane is a significant product on Ptproduced by this reaction: butane, 1-butene, trans-2- butene

  4. Atmos. Chem. Phys., 14, 14631483, 2014 www.atmos-chem-phys.net/14/1463/2014/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    , propane, i-butane, n- butane, i-pentane, and n-pentane by (a) reconstructing at- mospheric mole fractions increases in the ratios of the isomeric iso-/n-butane and iso-/n-pentane ratios. Com- parison

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

    E-Print Network [OSTI]

    Gibson, John K.

    2010-01-01

    methane, ethane, propane, n-butane) and alkenes (ethene,respectively). With propane and n-butane, all the Ln 2+ ionsof La 2+ with propane and n-butane, and the absence of their

  6. Sources and photochemistry of volatile organic compounds in the remote atmosphere of western China: results from the Mt. Waliguan Observatory

    E-Print Network [OSTI]

    2013-01-01

    sites a . Waliguan b Species Ethane Propane n-butanei-butane n-pentane i-pentane Ethene Propene Isoprene EthyneNorth b CO Ethane Propane n-butane i-butane Ethyne Benzene

  7. Formation mechanisms and quantification of organic nitrates in atmospheric aerosol

    E-Print Network [OSTI]

    Rollins, Andrew Waite

    2010-01-01

    limonene-1-nitrate, 1-hydroxy-butane- 2-nitrate, 3-hydroxy-our measured spectra of the butane hydroxynitrate we foundstandards except for the butane hydroxynitrate the O/C based

  8. Investigation of the Atmospheric Ozone Impacts of Methyl Iodide

    E-Print Network [OSTI]

    Carter, W P L

    2007-01-01

    ethylene, propylene, n-butane and trans-2-butene werepropane, propylene, n-butane, n-hexane, toluene, n-octaneas ethylene, propylene, n-butane and trans-2-butene and 30 m

  9. Energy-resolved annihilation studies : vibrational Feshbach resonances and positron- molecule bound states

    E-Print Network [OSTI]

    Young, Jason Asher

    2007-01-01

    Z e? for butane . . . . . . . . . . . . . . . . . . Figure2,2-di?uoropropane . . . Figure 5.9: Z e? for butane and 1-?resolved Z e? spectrum for butane (C 4 H 10 ). This spectrum

  10. Vehicular emission of volatile organic compounds (VOCs) from a tunnel study in Hong Kong

    E-Print Network [OSTI]

    2009-01-01

    LPG, gasoline, and diesel ethene toluene n-butane propane i-pentane i-butane propene benzene ethyne 1,2,4-order, ethene, toluene, n-butane, propane and i-pentane.

  11. Supplement of Atmos. Chem. Phys., 15, 63376350, 2015 http://www.atmos-chem-phys.net/15/6337/2015/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    Acetate Anthropogenic No ALK3 n-Butane, Ethanol, Isobutane, Dimethyl, Butane, Dimethyl Pentane Anthropogenic No ALK4 n-Pentane, n-Hexane, Branched C5-C6, Alkanes, Cyclopetane, Trimethyl Butane, Trimethyl

  12. Critical temperatures and pressures for hydrocarbon mixtures from an equation of state with renormalization-group-theory corrections

    E-Print Network [OSTI]

    Jiang, J.

    2011-01-01

    Relationship of Binary Systems n-Butane-n- Pentaneand n-Butane- n-Hexane, J. Chern. Eng. Data 20 (1975) 333-in the Ethane-Propane-n-Butane System, Fluid Phase Equil.

  13. A BRIEF HISTORY OF INDUSTRIAL CATALYSIS

    E-Print Network [OSTI]

    Heinemann, Heinz

    2013-01-01

    there were supplies of n-butane which could be isomerized.as a catalytic liquid n~butane gas was passed; in the other,and ts: butadiene, 2) 1) butane lbenzene dehydro~~ genation

  14. Splitting a C-O bond in dialkylethers with bis(1,2,4-tri-t-butylcyclopentadienyl) cerium-hydride does not occur by a sigma-bond metathesis pathway: a combined experimental and DFT computational study

    E-Print Network [OSTI]

    Werkema, Evan

    2011-01-01

    and propane or Cp’ 2 Ce(O-n-Bu) and butane, respectively.CeD, the propane and butane contain deuterium predominantlysites of (n-Bu) 2 O, but the butane produced by the reaction

  15. CATALYSIS BY PLATINUM SINGLE CRYSTAL SURFACES: LOW PRESSURE HYDROCARBON REACTIONS AND THE EFFECTS OF INTRODUCING STRONGLY BOUND OXYGEN AT THE SURFACE

    E-Print Network [OSTI]

    Smith, Carol Ellen

    2011-01-01

    of neo-pentane and iso-butane in the presence of excessof neo-pentane to iso-butane was found to be a demandingof neo-pentane and iso-butane in the presence of excess

  16. COMPUTATIONAL METHODS FOR MOLEUCLAR STRUCTURE DETERMINATION: THEORY AND TECHNIQUE

    E-Print Network [OSTI]

    Lester, W.A.

    2010-01-01

    study on the topology of n-butane. While the anti-conforma­were too low for gauche- butane type interactions, so a hardhydrogen and a good gauche-butane energy. Overall, however,

  17. Characterization of photochemical pollution at different elevations in mountainous areas in Hong Kong

    E-Print Network [OSTI]

    2013-01-01

    vs. ethylbenzene and (b) i-butane vs. propane at TMS and TW.vs. ethylbenzene and (b) i-butane vs. propane at TMS and TW.2012). On the other hand, n-butane and propane are generally

  18. Selective Nanocatalysis of Organic Transformation by Metals: Concepts, Model Systems, and Instruments

    E-Print Network [OSTI]

    Somorjai, Gabor A.; Li, Yimin

    2010-01-01

    on the open (100) surface. The iso- butane isomerizationto n-butane occurs more readily on the Pt(100) and theof the N–C bond to form butane and ammonia. Figure 9 shows

  19. HYDROCARBON FORMATION ON POLYMER-SUPPORTED COBALT

    E-Print Network [OSTI]

    Benner, Linda S.

    2013-01-01

    ·omatography, mass , propane, butane , wa:ter, and CO co dueethane ( 1. 7 flillOl) , n~butane (0.17 flmol), isobutane (not possess Isobutane/n~butane activity, this activity The

  20. Applications of Density Functional Theory and Absolutely Localized Molecular Orbital Energy Decomposition Analysis: Intermolecular Interactions in Rhenium-Alkane s-Complexes and in Water Clusters and Reaction Energy Profiles of Methane Hydroxylation Mediated by Quantum Models of p-MMO Active Sites

    E-Print Network [OSTI]

    Cobar, Erika Ann

    2011-01-01

    ethane, n-propane, n- butane, n-pentane, n-hexane, and n-H Dist. Methane Ethane Propane Butane Pentane Hexane HeptaneDist. Methane Ethane Propane Butane Pentane Hexane Heptane

  1. STUDIES OF THE SURFACES STRUCTURES OF MOLECULAR CRYSTALS AND OF ADSORBED MOLECULAR MONOLAYERS ON THE (111) CRYSTAL FACES OF PLATINUM AND SILVER BY LOW-ENERGY ELECTRON DIFFRACTION

    E-Print Network [OSTI]

    Firment, L.E.

    2010-01-01

    transitions. The adsorption n-butane on Pt(lll) producesat 34 eV of monolayer of n-butane adsorbed on Agelll). The90-l05K, adsorption of n-butane on clean Pt(111) produces

  2. Measurements of volatile organic compounds at a suburban ground site (T1) in Mexico City during the MILAGRO 2006 campaign: measurement comparison, emission ratios, and source attribution

    E-Print Network [OSTI]

    2011-01-01

    Table 3). Propane, n- butane and i- butane correlated poorlyof points compared (N ). best fit slope r 2 propane n-butanei-butane n-pentane i-pentane n-hexane ethylene propylene 1-

  3. Surface Reactivity of Copper Precursors for Atomic Layer Deposition (ALD) on Metal Surfaces

    E-Print Network [OSTI]

    MA, QIANG

    2010-01-01

    110) surfaces is described; butane and a small amidine were110) surface. No butene is produced at lower butane, 3 L;only some butane is desorption observed (58 amu). However,

  4. Quantifying the Reactive Uptake of OH by Organic Aerosols in a Continuous Flow Stirred Tank Reactor

    E-Print Network [OSTI]

    Che, Dung L.

    2010-01-01

    determination of the n-butane + OH reaction rate coefficientof the hexane (?) and butane (?) GC peak areas during therate constant ( k but ) for the n-butane + OH reaction. The

  5. Consequences of Confinement in Zeolite Acid Catalysis

    E-Print Network [OSTI]

    Gounder, Rajamani Pachayappan

    2011-01-01

    diameters of propane and n-butane. Scheme 3.5. MOR crystaldehydrogenation of propane, n-butane and isobutane. CHAPTERkJ mol -1 ] Propane n n-Butane n-P Pentane n-H Hexane Figure

  6. Quantum Chain Reactions and ?-Hydrogen Abstraction of Aromatic Ketones: Insights into Solid to Solid Transformations and Efficiency in Crystals

    E-Print Network [OSTI]

    Nielsen, Amy

    2014-01-01

    phenoxy-(phenylethynyl)) butane (12). 1 H NMR (300 MHz, CDClpheneylcyclopropenone) butane (6). 1,4 di(4-phenoxy-(4-phenoxy-(phenylethynyl)) butane (12). %T 94.0 cm-1 1-(4-

  7. ISHHC XIII International Symposium on the Relations between Homogeneous and Heterogeneous Catalysis

    E-Print Network [OSTI]

    Somorjai Ed., G.A.

    2007-01-01

    for Partial Oxidation of n-butane to Maleic Anhydride Y.H.catalytic activity of n-butane oxidation to maleic anhydrideconversion of methane with n-butane to give other alkanes.

  8. Molecular and isotopic partitioning of low-molecular-weight hydrocarbons during migration and gas hydrate precipitation in deposits of a high-flux seepage site

    E-Print Network [OSTI]

    2010-01-01

    2). Propane, iso- and n-butane were found in much smallercarbon dioxide, and are virtually devoid of iso-butane andn-butane (Fig. 4). Similar molecular distinctions observed

  9. Sum Frequency Generation Studies of Hydrogenation Reactions on Platinum Nanoparticles

    E-Print Network [OSTI]

    Krier, James M.

    2014-01-01

    in the full hydrogenation (n-butane) of 1,3-butadiene,catalysts. Formation of n-butane occurs at the expense of 1-products (butenes), butane is a significant product on Pt

  10. Concurrent observations of air pollutants at two sites in the Pearl River Delta and the implication of regional transport

    E-Print Network [OSTI]

    2009-01-01

    xylene to ethylbenzene (b) i-butane to propane at TC and WQSxylene to ethylbenzene (b) i-butane to propane at TC and WQSxylene to ethylbenzene (b) i-butane to propane at TC and WQS

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

    E-Print Network [OSTI]

    Gibson, John K.

    2010-01-01

    alkanes (methane, ethane, propane, n-butane) and alkenes (and 9, respectively). With propane and n-butane, all the Lnin the reactions of La 2+ with propane and n-butane, and the

  12. Concurrent observations of air pollutants at two sites in the Pearl River Delta and the implication of regional transport

    E-Print Network [OSTI]

    2009-01-01

    ethylbenzene (b) i-butane to propane at TC and WQS H. Guo etto ethylbenzene (b) i-butane to propane at TC and WQS duringto ethylbenzene (b) i-butane to propane at TC and WQS during

  13. Finding the missing stratospheric Bry: a global modeling study of CHBr3 and CH2Br2

    E-Print Network [OSTI]

    2010-01-01

    C-130 T0 T1 G1 Ethane Propane i-Butane n-Butane i-Pentane n-ppbv) Ethane Ethene Ethyne Propane Propene i-Butane n-Butanee.g. , ethane, ethene, propane, propane, methanol, ethanol,

  14. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    E-Print Network [OSTI]

    2010-01-01

    C-130 T0 T1 G1 Ethane Propane i-Butane n-Butane i-Pentane n-ppbv) Ethane Ethene Ethyne Propane Propene i-Butane n-Butanee.g. , ethane, ethene, propane, propane, methanol, ethanol,

  15. Table 5. List of compounds identified for the MBO canister T-2 and their precision A certified can of ethylene (10.06 ppmv)and neohexane (10.01

    E-Print Network [OSTI]

    Collins, Gary S.

    -PENTANE ETHYLENE N-PENTANE PROPANE PROPYNE PROPENE 2,2-DIMETHYLBUTANE I-BUTANE 2-METHYLPENTANE N-BUTANE 3

  16. GAMMA-RAY DETECTION WITH PbO GLASS CONVERTERS IN MWPC: ELECTRON CONVERSION EFFICIENCY AND TIME RESOLUTION

    E-Print Network [OSTI]

    Lum, G.K.

    2010-01-01

    10X CF and 30% iso- butane, respectively. The effects of gas+ 67% Ar 3% methylal+30% Iso­ butane + 67% Ar Comparing the

  17. Supplement of Atmos. Chem. Phys., 14, 1317513188, 2014 http://www.atmos-chem-phys.net/14/13175/2014/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    methane, ethane, propane, ethyne, benzene C4HC n-butane, i-butane, n-pentane, i-pentane, n-hexane, n

  18. Biocorrosive Thermophilic Microbial Communities in Alaskan North Slope Oil Facilities

    E-Print Network [OSTI]

    Duncan, Kathleen E.

    2010-01-01

    ethane, propane or butane. Concentrations of metabolitesacid COO - CH 3 O H 3 C Butane (C 4 H 10 ) H 3 C CH 3 O - O

  19. Assumptions and Expectations for Annual Energy Outlook 2015:...

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

    * Update NPGL factors as well as the composition shares of NGPLs (ethane, propane, butane, iso-butane, pentanes plus). * Update EURs as time allows - focus on PA Marcellus...

  20. J. Am. Chem. SOC.1981,103, 7012-70137012 gives a 38% yield of a dimer of 12,with spectroscopic propertiesS

    E-Print Network [OSTI]

    Showalter, Kenneth

    an isopropylidenebicyclo[1.1.O]butane (21) followed by a thermal decomposition analogous to the bicyclo- [l.l.O]butane -1

  1. Boreal forest fire emissions in fresh Canadian smoke plumes: C1-C10 volatile organic compounds (VOCs), CO2, CO, NO2, NO, HCN and CH3CN

    E-Print Network [OSTI]

    2011-01-01

    propene, acetone, benzene, propane and ?-pinene (Table 1).cyanide Acetonitrile Ethane Propane i-Butane n-Butane i-= Ethane Ethane Ethane Ethane Propane Propane Propane ARCTAS

  2. The Critical Role of Phosphate in Vanadium Phosphate Oxide for the Catalytic Activation and Functionalization of nButane to Maleic

    E-Print Network [OSTI]

    Goddard III, William A.

    The Critical Role of Phosphate in Vanadium Phosphate Oxide for the Catalytic Activation studies, the mechanism of the catalytic oxidation reaction remains under debate. Some suggest steps for this catalytic system. We propose that the first step of the reaction is the oxidation of (VO

  3. California's Move Toward E10 (released in AEO2009)

    Reports and Publications (EIA)

    2009-01-01

    In Annual Energy Outlook 2009, (AEO) E10–a gasoline blend containing 10% ethanol–is 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.

  4. 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.

  5. 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.

  6. 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.

  7. Saponification rates of isomeric butyl esters in aqueous 1,4-dioxane 

    E-Print Network [OSTI]

    Ruhnke, Edward Vincent

    1954-01-01

    stranded RNA ligands with overhangs or a 5’ triphosphate group. The Cys951 residue was shown to disrupt stability of the MDA5 RD-RNA complex. Binding analyses were performed using a combination of SDS-PAGE, gel filtration analysis, and nondenaturing gel...

  8. Organometallics 1994, 13, 4367-4376 4367 tert-Butyl-SubstitutedPoly(ferroceny1enepersulfides)

    E-Print Network [OSTI]

    Rauchfuss, Thomas B.

    . The trisulfides were converted to the polymers [(RC5H3)2FeS2Inupon desulfurization with Bu~P,which was shown by 31PNMR spectroscopy to be converted to Bu3PS. The rate of this desulfurization increases ferrocenylene persulfide polymers undergo reversible electrochemical oxidation in two steps, separated by 290 m

  9. Exchange Reactions Between a Molten Salt and a Solution of Tri-Butyl

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing(Journal Article) | SciTech(Journal(Patent)pressure inrepeats (Journal(Journal

  10. Splitting a C-O bond in dialkylethers with bis(1,2,4-tri-t-butylcyclopentadienyl) cerium-hydride does not occur by a sigma-bond metathesis pathway: a combined experimental and DFT computational study

    SciTech Connect (OSTI)

    Werkema, Evan; Yahia, Ahmed; Maron, Laurent; Eisenstein, Odile; Andersen, Richard

    2010-04-06

    Addition of diethylether to [1,2,4(Me3C)3C5H2]2CeH, abbreviated Cp'2CeH, gives Cp'2CeOEt and ethane. Similarly, di-n-propyl- or di-n-butylether gives Cp'2Ce(O-n-Pr) and propane or Cp'2Ce(O-n-Bu) and butane, respectively. Using Cp'2CeD, the propane and butane contain deuterium predominantly in their methyl groups. Mechanisms, formulated on the basis of DFT computational studies, show that the reactions begin by an alpha or beta-CH activation with comparable activation barriers but only the beta-CH activation intermediate evolves into the alkoxide product and an olefin. The olefin then inserts into the Ce-H bond forming the alkyl derivative, Cp'2CeR, that eliminates alkane. The alpha-CH activation intermediate is in equilibrium with the starting reagents, Cp'2CeH and the ether, which accounts for the deuterium label in the methyl groups of the alkane. The one-step sigma-bond metathesis mechanism has a much higher activation barrier than either of the two-step mechanisms.

  11. Pentan isomers compound flame front structure

    SciTech Connect (OSTI)

    Mansurov, Z.A.; Mironenko, A.W.; Bodikov, D.U.; Rachmetkaliev, K.N.

    1995-08-13

    The fuels (hexane, pentane, diethyl ether) and conditions investigated in this study are relevant to engine knock in spark- ignition engines. A review is provided of the field of low temperature hydrocarbon oxidation. Studies were made of radical and stable intermediate distribution in the front of cool flames: Maximum concentrations of H atoms and peroxy radicals were observed in the luminous zone of the cool flame front. Peroxy radicals appear before the luminous zone at 430 K due to diffusion. H atoms were found in cool flames of butane and hexane. H atoms diffuses from the luminous zone to the side of the fresh mixture, and they penetrate into the fresh mixture to a small depth. Extension of action sphear of peroxy radicals in the fresh mixture is much greater than that of H atoms due to their small activity and high concentrations.

  12. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 0099-2240/99/$04.00 0

    E-Print Network [OSTI]

    Semprini, Lewis

    . 10 Copyright © 1999, American Society for Microbiology. All Rights Reserved. Diversity in Butane Monooxygenases among Butane-Grown Bacteria NATSUKO HAMAMURA,1 RYAN T. STORFA,2 LEWIS SEMPRINI,3 AND DANIEL J. ARP April 1999/Accepted 19 July 1999 Butane monooxygenases of butane-grown Pseudomonas butanovora

  13. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 0099-2240/97/$04.00 0

    E-Print Network [OSTI]

    Semprini, Lewis

    . 9 Copyright © 1997, American Society for Microbiology Chloroform Cometabolism by Butane-Grown CF8) degradation by a butane-grown enrichment culture, CF8, was compared to that by butane-grown Pseudomonas. All three butane-grown bacteria were able to degrade CF at rates comparable to that of M

  14. Transformation of Acetone and Isopropanol to Hydrocarbons using HZSM-5 Catalyst 

    E-Print Network [OSTI]

    Taco Vasquez, Sebastian

    2010-07-14

    .2 i-Butane ? ? 0.1 3.9 n-Butane ? ? ? 1.7 i-Butene 19.1 31.3 83.3 3.6 n-Butene ? ? butane, isobutene, butane, isobutylene), carbon monoxide, and carbon dioxide. The liquid products are hydrocarbons...

  15. Supplement of Atmos. Chem. Phys., 15, 55855598, 2015 http://www.atmos-chem-phys.net/15/5585/2015/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    )............................................. 1 1.2 C4H10 (butane, methyl propane)............................................................................ 3 1.3 C5H12 (n-pentane, methyl butane, dimethyl butane)............................................. 5 1.4 C6H14 (n-hexane, 2,3-dimethyl butane

  16. Energy and crude oil input requirements for the production of reformulated gasolines

    SciTech Connect (OSTI)

    Singh, M.; McNutt, B.

    1993-10-01

    The energy and crude oil requirements for the production of reformulated gasoline (RFG) are estimated. The scope of the study includes both the energy and crude oil embodied in the final product and the process energy required to manufacture the RFG and its components. The effects on energy and crude oil use of employing various oxygenates to meet the minimum oxygen-content level required by the Clean Air Act Amendments are evaluated. The analysis shows that production of RFG requires more total energy, but uses less crude oil, than that of conventional gasoline. The energy and crude oil use requirements of the different RFGs vary considerably. For the same emissions performance level, RFG with ethanol requires substantially more total energy and crude oil than does RFG with methyl tertiary butyl ether (MTBE) or ethyl tertiary butyl ether. A specific proposal by the US Environmental Protection Agency, designed to allow the use of ethanol in RFG, would increase the total energy required to produce RFG by 2% and the total crude oil required by 2.0 to 2.5% over the corresponding values for the base RFG with MTBE.

  17. Development of candidate chemical simulant list: the evaluation of candidate chemical simulants which may be used in chemically hazardous operations. Final report 15 Jun-15 Dec 82

    SciTech Connect (OSTI)

    Not Available

    1982-12-01

    The objectives of this task were threefold: (1) to provide additional data for the proposed candidate simulates dipentene, methyl benzoate and benzyl alcohol by means of in-depth literature searches encompassing both computerized data bases and a manual search of the older literature; (2) to fully evaluate twelve possible candidate simulants under more flexible simulant criteria; and (3) to develop a list of candidate simulants in the low and non-volatile categories. Computerized literature searches were conducted for the twelve possible candidate simulants under more flexible intake simulant criteria as well as for dimethyl methylphosphonate, a compound selected for evaluation by the USAF. The twelve possible candidates included: cyclohexanone, n-dodecanethiol, methyl salicylate, dihexyl ether, dypnone, n-aminopropyl morpholine, n-(2-hydroxyethyl) morpholine, butyl salicylate, di(2-ethyl hexyl) ether, 2-undecanol, 2-hydroxyethyl-n-octyl sulfide and n,n-diethyl-m-toluamide. Full assessments of the potential health hazards associated with exposure to n-dodecanethiol, methyl salicylate, butyl salicylate and n,n-diethyl-m-toluamide were completed. All of these compounds meet the majority of USAF criteria for candidate simulants. Cyclohexanone was disqualified for reasons of toxicity, while the available toxicological data for the seven remaining candidates were considered inadequate for full assessment of hazard.

  18. Polymer Brushes on Single-Walled Carbon Nanotubes by Atom Transfer Radical Polymerization of n-Butyl Methacrylate

    E-Print Network [OSTI]

    Resasco, Daniel

    Polymer Brushes on Single-Walled Carbon Nanotubes by Atom Transfer Radical Polymerization of n-mail: wtford@okstate.edu Abstract: Polymer brushes with single-walled carbon nanotubes (SWNT) as backbones were-walled carbon nanotubes (SWNT) are leading to the development of new nanotechnologies because of their out

  19. A search for mode-selective chemistry: The unimolecular dissociation of I-butyl hydroperoxide induced by

    E-Print Network [OSTI]

    rate over the thermal energy distribution of the photoactivated molecules is included. At pressures of thermal unimolecular processes. 1 The ergodic theories were very successful in rationaliZing the bulk rate. The excess chemical energy released through the addition process is initially localized

  20. Fetal germ cell development in the rat testis and the impact of di (n-Butyl) phthalate exposure 

    E-Print Network [OSTI]

    Jobling, Matthew S.

    2010-01-01

    During gonad development and fetal life, the germ cells (GC) undergo a range of different developmental processes necessary for correct postnatal gametogenesis and the production of the next generation. If these fetal ...

  1. On the structural and impedance characteristics of Li- doped PEO, using n-butyl lithium in hexane as dopant

    SciTech Connect (OSTI)

    Anand, P. B., E-mail: anandputhirath@gmail.com, E-mail: jayalekshmi@cusat.ac.in; Jayalekshmi, S., E-mail: anandputhirath@gmail.com, E-mail: jayalekshmi@cusat.ac.in [Division for Research in Advanced Materials Department of Physics Cochin University of Science and Technology Cochin 22, Kerala (India)

    2014-01-28

    Nowadays polymer based solid state electrolytes for applications in rechargeable battery systems are highly sought after materials, pursued extensively by various research groups worldwide. Numerous methods are discussed in literature to improve the fundamental properties like electrical conductivity, mechanical stability and interfacial stability of polymer based electrolytes. The application of these electrolytes in Li-ion cells is still in the amateur state, due to low ionic conductivity, low lithium transport number and the processing difficulties. The present work is an attempt to study the effects of Li doping on the structural and transport properties of the polymer electrolyte, poly-ethelene oxide (PEO) (Molecular weight: 200,000). Li doped PEO was obtained by treating PEO with n-Butyllithium in hexane for different doping concentrations. Structural characterization of the samples was done by XRD and FTIR techniques. Impedance measurements were carried out to estimate the ionic conductivity of Li doped PEO samples. It is seen that, the crystallinity of the doped PEO decreases on increasing the doping concentration. XRD and FTIR studies support this observation. It is inferred that, ionic conductivity of the sample is increasing on increasing the doping concentration since less crystallinity permits more ionic transport. Impedance measurements confirm the results quantitatively.

  2. Kinetic study of acid-catalyzed cellulose hydrolysis in 1-butyl-3-methylimidazolium Zehui Zhang a,d,1

    E-Print Network [OSTI]

    Li, Weixue

    . Zhao a,c, a Division of Biotechnology, Dalian Institute of Chemical Physics, CAS, 457 Zhongshan Road, Dalian 116023, China b The State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, CAS, 457 Zhongshan Road, Dalian 116023, China c Dalian National Laboratory for Clean Energy, Dalian 116023

  3. An experimental system for the n-butyl-lithium initiated polymerization of styrene in a multi-sampled batch reactor 

    E-Print Network [OSTI]

    Cox, James Harvey

    1974-01-01

    AN EXPERIMENTAL SYSTEM FOR THE n-BUTYLLITHIUM INITIATED POLYMERIZATION OF STYRENE IN A MULTI-SAMPLED BATCH REACTOR A Thesis by JAMES HARVEY COX, JR. Submitted to the Graduate College of Texas A&M University in partial fulfillment... of the requirement for the degree of MASTER OF SCIENCE May 1974 Ma]or Subject: Chemical Engineering AN EXPERIMENTAL SYSTEM FOR THE n-BUTYLLITHIUM INITIATED POLYMERIZATION OF STYRENE IN A MULTI-SAMPLED BATCH REACTOR A Thesis by JAMES HARVEY COX, JR. Approved...

  4. Supporting Information A scalable synthesis of the (S)-4-(tert-butyl)-2-(pyridin-2-yl)-4,5-dihydrooxazole

    E-Print Network [OSTI]

    Stoltz, Brian M.

    for flash chromatography. Analytical chiral SFC was performed utilizing an OB-H column (4.6 mm × 25 cm with a three-pitched curved blade, an internal thermometer, and a reflux condenser equipped with a two a steam of N2. The flask was charged with (S)-tert-leucine (15.08 g, 115.0 mmol, 1.00 equv, 99% ee

  5. Viscoelastic Properties and Phase Behavior of 12-tert-Butyl Ester Dendrimer/Poly(methyl methacrylate) Blends

    E-Print Network [OSTI]

    Harmon, Julie P.

    with bis- phenol A polycarbonate (PC), resulting in an in- crease in free volume with increasing dendrimer hyperbranched polyester/bisphenol A PC blends with respect to pure PC. Studies were conducted by Carr et al.24

  6. A New Biarylphosphine Ligand for the Pd-Catalyzed Synthesis of Diaryl Ethers under Mild Conditions

    E-Print Network [OSTI]

    Salvi, Luca

    A new bulky biarylphosphine ligand (L8) has been developed that allows the Pd-catalyzed C–O cross-coupling of a wide range of aryl halides and phenols under milder conditions than previously possible. A direct correlation ...

  7. The Copolymerization of CO_(2) and Cyclic Ethers and Their Degradation Pathways 

    E-Print Network [OSTI]

    Wei, Sheng-Hsuan

    2013-07-24

    oxide. Thermodynamically stable cyclic carbonate byproducts are produced during the course of the reaction from the degradations of propagating polymer chains. The depolymerization reactions of several polycarbonates produced from the completely...

  8. Supplemental Material Improved method for the quantification of lysophospholipids including enol ether

    E-Print Network [OSTI]

    Gelb, Michael

    group (i.e. all LPG species constitute 1 channel, all LPI species constitute a second channel etc) 3 Parent ion 4 (m/z) Fragment ion 4 (m/z) Cone voltage 5 (V) Collision energy 5 (eV) 12:0-LPG 9.8 -427.22 -199.22 -38 26 14:0-LPG 65 9.5 80 -455.25 -227.25 -38 26 16:1-LPG 9.3 -481.26 -253.26 -38 26 16

  9. Composition and Digestibility of the Ether Extract of Hays and Fodders. 

    E-Print Network [OSTI]

    Fraps, G. S.; Rather, J. B.

    1912-01-01

    ..............................................................................................................................Secretary LI eI RFE6BfB- .............................'............................................................................... Stenographer CI JI Rs.- -B9...

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

    DOE Patents [OSTI]

    Meikrantz, David H. (Idaho Falls, ID); Todd, Terry A. (Aberdeen, ID); Riddle, Catherine L. (Idaho Falls, ID); Law, Jack D. (Pocatello, ID); Peterman, Dean R. (Idaho Falls, ID); Mincher, Bruce J. (Idaho Falls, ID); McGrath, Christopher A. (Blackfoot, ID); Baker, John D. (Blackfoot, ID)

    2007-11-06

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

  11. Copper-mediated synthesis of mono-and dichlorinated diaryl ethers Jan K. Cermk

    E-Print Network [OSTI]

    Cirkva, Vladimir

    and abiota matrices.1 With high lipophilicity and possible bioaccumulation and biomagnification in the food-known persistent organic pollutants, such as polychlorinated dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs

  12. The potential for alcohols and related ethers to displace conventional gasoline components

    SciTech Connect (OSTI)

    Hadder, G.R.; McNutt, B.D.

    1996-02-01

    The United States Department of Energy is required by law to determine the feasibility of producing sufficient replacement fuels to replace 30 percent of the projected United States consumption of motor fuels by light duty vehicles in the year 2010. A replacement fuel is a non-petroleum portion of gasoline, including alcohols, natural gas and certain other components. A linear program has been used to study refinery impacts for production of ``low petroleum`` gasolines, which contain replacement fuels. The analysis suggests that high oxygenation is the key to meeting the replacement fuel target, and major contributors to cost increase can include investment in processes to produce olefins for etherification with alcohols. High oxygenation can increase the costs of control of vapor pressure, distillation properties, and pollutant emissions of gasolines. Year-round low petroleum gasoline with near-30 percent non-petroleum might be produced with cost increases of 23 to 37 cents per gallon, with substantial decreases in greenhouse gas emissions in some cases. Cost estimates are sensitive to assumptions about extrapolation of a national model for pollutant emissions, availability of raw materials and other issues. Reduction in crude oil use, a major objective of the low petroleum gasoline program, is 10 to 17 percent in the analysis.

  13. Effect of thermal history on the molecular orientation in polystyrene/poly(vinyl methyl ether) blends

    E-Print Network [OSTI]

    Pezolet, Michel

    volume and mechanical deformation of polyimides and polycarbonate [16,17]. Wang et al. have reported

  14. Extraction of protactinium-233 and separation from thermal neutron-irradiated thorium-232 using crown ethers

    SciTech Connect (OSTI)

    Jalhoom, Moayyed G.; Mohammed, Dawood A.; Khalaf, Jumah S.

    2008-07-01

    A new method was developed for the extraction and separation of {sup 233}Pa from thermal neutron-irradiated {sup 232}Th. Solutions of Pa{sup 233} were prepared in LiCI-HCl solutions from which appreciable extraction was obtained using dibenzo-18-crown-6 in 1,2-dichloroethane. The effects of cavity size, substitutions on the crown ring, type of the organic solvent, and temperature on extraction are discussed. Very high separation factors were obtained for the pairs {sup 233}Pa/{sup 232}Th (>105), {sup 233}Pa/{sup 233}U (> 1000), and {sup 232}U/{sup 232}Th (>60). (authors)

  15. MC-CAM Publications "Allyl Glycidyl Ether-Based Polymer Electrolytes for Room Temperature Lithium Batteries"

    E-Print Network [OSTI]

    Bigelow, Stephen

    Lithium Batteries" Katherine P. Barteau, Martin Wolffs, Nathaniel A. Lynd, Glenn H. Fredrickson, Edward J Nitride/Carbon Microfibers as Efficient and Stable Electrocatalysts for Li­ O2 Batteries" Jihee Park

  16. FT-ICR Study of Reaction of Cobalt Clusters with Alcohol, Ether and Hydrocarbon

    E-Print Network [OSTI]

    Maruyama, Shigeo

    , Kohei Koizumi, Naoki Suyama and Shigeo Maruyama Department of Mechanical Engineering, The University with ethanol. The dehydrogenation process on Co clusters was studied in detail by using isotopically modified molecules. In this paper, we have explored the basic reaction mechanisms of relatively large catalyst

  17. Hematoporphyrin monomethyl ether-mediated photodynamic effects on THP-1 cell-derived macrophages

    E-Print Network [OSTI]

    Cao, Wenwu

    progression and decrease macrophage-infiltration. The effectiveness of PDT depends strongly on the type-related photosensitizer for PDT. This study is designed to characterize effects of HMME-based PDT on THP-1 cell- derived-prone plaques are characterized by large necrotic lipid cores, thin fibrous caps, and dense macrophage-infiltration

  18. SYNTHESIS OF DIARYL ETHERS USING AN EASY-TO-PREPARE, AIR-STABLE,

    E-Print Network [OSTI]

    Venkataraman, Dhandapani "DV"

    metals such as palladium. Soluble copper(I) salts are often air- and moisture-sensitive (e.g. CuðCF3SO3 from phenols and aryl halides. Buchwald's protocol calls for the use of CuðCF3SO3 . 0:5C6H6

  19. Chlorine resistant desalination membranes based on directly sulfonated poly(arylene ether sulfone) copolymers

    DOE Patents [OSTI]

    McGrath, James E. (Blacksburg, VA); Park, Ho Bum (Austin, TX); Freeman, Benny D. (Austin, TX)

    2011-10-04

    The present invention provides a membrane, kit, and method of making a hydrophilic-hydrophobic random copolymer membrane. The hydrophilic-hydrophobic random copolymer membrane includes a hydrophilic-hydrophobic random copolymer. The hydrophilic-hydrophobic random copolymer includes one or more hydrophilic monomers having a sulfonated polyarylsulfone monomer and a second monomer and one or more hydrophobic monomers having a non-sulfonated third monomer and a fourth monomer. The sulfonated polyarylsulfone monomer introduces a sulfonate into the hydrophilic-hydrophobic random copolymer prior to polymerization.

  20. Base-Mediated Cascade Rearrangements of Aryl-Substituted Diallyl Ethers

    E-Print Network [OSTI]

    Reid, Jolene P.; McAdam, Catherine A.; Johnston, Adam J. S.; Grayson, Matthew N.; Goodman, Jonathan M.; Cook, Matthew J.

    2014-12-16

    temperatures using ruthenium, rhodium, palladium and iridium catalysts which allow for a concomitant Claisen rearrangement.21 These approaches generally lead to epimerization of the ?-stereogenic center in the presence of the Lewis acidic metal catalysts... 60 14 To further strengthen our mechanistic understanding of these reactions a series of deuterium labeling experiments were conducted. Firstly, the vinyl silane was investigated and deuterated analog 23 was prepared and subjected to the reaction...

  1. The processing of alcohols, hydrocarbons and ethers to produce hydrogen for a PEMFC for transportation applications

    SciTech Connect (OSTI)

    Dams, R.A.J.; Hayter, P.R.; Moore, S.C.

    1997-12-31

    Wellman CJB Limited is involved in a number of projects to develop fuel processors to provide a hydrogen-rich fuel in Proton Exchange Membrane Fuel Cells (PEMFC) systems for transportation applications. This work started in 1990 which resulted in the demonstration of 10kW PEMFC system incorporating a methanol reformer and catalytic gas clean-up system. Current projects include: The development of a compact fast response methanol reformer and gas clean-up system for a motor vehicle; Reforming of infrastructure fuels including gasoline, diesel, reformulated fuel gas and LPG to produce a hydrogen rich gas for PEMFC; Investigating the potential of dimethylether (DME) as source of hydrogen rich gas for PEMFCs; The use of thin film palladium diffusers to produce a pure hydrogen stream from the hydrogen rich gas from a reformer; and Processing of naval logistic fuels to produce a hydrogen rich gas stream for PEMFC power system to replace diesel generators in surface ships. This paper outlines the background to these projects and reports their current status.

  2. Safe Operating Procedure (Revised 7/09)

    E-Print Network [OSTI]

    Tsymbal, Evgeny Y.

    ://ehs.unl.edu/) LPG includes propane, butane, and butylenes used for heating, cooking, and fuel. The purpose Food Service No more than two 10 ounce non-refillable butane cylinders in use per appliance

  3. Supplemental Materials Mass, critical temperature, critical volume, and relative diffusion coefficients used for the

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    Ethane Propane n-Butane i-Butane n-Pentane i-Pentane Mass (g mol-1 ) 30.07 44.10 58.12 58.12 72.15 72

  4. Observations of nonmethane organic compounds during ARCTAS - Part 1: Biomass burning emissions and plume enhancements

    E-Print Network [OSTI]

    2011-01-01

    Propane WAS Ethane TOGA WAS Butane TOGA WAS Isopentane R. S.24 Plume 28 n-Hexane i-Pentane n-Pentane 1-Butene n-Butanei-Butane Propene Propane Ethyne Ethene Ethane global scale,

  5. Laminar burning velocities of propeneair mixtures at elevated temperatures and

    E-Print Network [OSTI]

    as an intermediate in the combustion of higher alkanes, such as propane, butane, heptane and isooctane, Glassman1 higher alkanes, such as propane, butane, heptane and iso-octane as these hydrocarbon compounds constitute

  6. Easily Legible Printed Name:______________________________ Page 1 of 8

    E-Print Network [OSTI]

    Walba, David

    chair structures the strain energy for each conformation in units of gauche butane interactions (GBs). d of gauche butane interactions (GBs). g) Circle the more stable conformation of the trimethylcyclohexane

  7. Boreal forest fire emissions in fresh Canadian smoke plumes: C1-C10 volatile organic compounds (VOCs), CO2, CO, NO2, NO, HCN and CH3CN

    E-Print Network [OSTI]

    2011-01-01

    in situ PTR-MS mea- n-Butane 0 surements in fresh biomassHydrogen cyanide Acetonitrile Ethane Propane i-Butanen-Butane i-Pentane n-Pentane n-Hexane 2+3-Methylpentane n-

  8. CHEMISTRY 3311, Fall 1998 Professor Walba

    E-Print Network [OSTI]

    Walba, David

    butane interactions," the magnitude of the difference in heats of combustion of A and B. Two gauche butane unites e) Draw one perspective chair picture for each of these substituted decalin isomers. CIRCLE

  9. Surface Permeabilities DOI: 10.1002/anie.200804785

    E-Print Network [OSTI]

    Li, Jing

    . We selected ethane, propane, and n-butane as guest molecules. Sorption was initiated by varying between 8.5­12 min for ethane and 30 h for n-butane. After equilibration with the surrounding gas phase

  10. Explicit modeling of organic chemistry and secondary organic aerosol partitioning for Mexico City and its outflow plume

    E-Print Network [OSTI]

    2011-01-01

    assumed to be zero. Species name Ethane Propane n-Butanei-Butane 2,2-Dimethylbutane i-Pentane n-Pentane n-Hexaneng m -3 Eulerian model, butane equiv aromatics olefins 2:1

  11. Feasibility of reconstructing paleoatmospheric records of selected alkanes, methyl halides, and sulfur gases from Greenland ice cores

    E-Print Network [OSTI]

    Aydin, M.; Williams, M. B; Saltzman, E. S

    2007-01-01

    Hemispheric air. 4.1.3. n-Butane [ 26 ] n-C 4 H 10 levels inH 6 ; propane, C 3 H 8 ; n-butane, n-C 4 H 10 ), two methyl

  12. Characterization of photochemical pollution at different elevations in mountainous areas in Hong Kong

    E-Print Network [OSTI]

    2013-01-01

    and (b) i-butane vs. propane at TMS and TW. Fig. 4. Theand (b) i-butane vs. propane at TMS and TW. et al. , 2001;higher ratios of ethyne/propane and benzene/propane were

  13. Development of a Hessian-Free Algorithm for Transition State Searches, Application to Reactions of Light Alkanes in Zeolite Catalysts, and Extension to Wavefunction Stability Analysis in the Absence of Analytical Hessians

    E-Print Network [OSTI]

    Mallikarjun Sharada, Shaama M

    2015-01-01

    energies (kcal/mol) for propane, n-butane and n-hexane reac-energies (kcal/mol) for propane, n-butane and n-hexane reac-40 Transition state for propane dehydrogenation in a T23

  14. APPLICATIONS OF LAYERED DOUBLE HYDROXIDES IN REMOVING OXYANIONS FROM OIL REFINING AND COAL MINING WASTEWATER

    SciTech Connect (OSTI)

    Song Jin; Paul Fallgren

    2006-03-01

    Western Research Institute (WRI), in conjunction with the U.S. Department of Energy (DOE), conducted a study of using the layered double hydroxides (LDH) as filter material to remove microorganisms, large biological molecules, certain anions and toxic oxyanions from various waste streams, including wastewater from refineries. Results demonstrate that LDH has a high adsorbing capability to those compounds with negative surface charge. Constituents studied include model bacteria, viruses, arsenic, selenium, vanadium, diesel range hydrocarbons, methyl tert-butyl ether (MTBE), mixed petroleum constituents, humic materials and anions. This project also attempted to modify the physical structure of LDH for the application as a filtration material. Flow characterizations of the modified LDH materials were also investigated. Results to date indicate that LDH is a cost-effective new material to be used for wastewater treatment, especially for the treatment of anions and oxyanions.

  15. Co-treatment of VOCs in low-pH sulfide biofilters

    SciTech Connect (OSTI)

    Devinny, J.S.; Chitwood, D.E.; Choi, D.S.

    1999-07-01

    Biofiltration of off-gases from wastewater treatment plants requires removal of sulfides and volatile organic compounds. Sulfides are readily removed in low-pH biofilters filled with inorganic media. If the same biofilter could simultaneously remove the volatile organic compounds, an efficient single-step system would be possible. Laboratory work on co-treatment of toluene and sulfides, and fieldwork on several volatile compounds indicate that this is possible. Removals of over 90% of toluene, xylene, acetone, methanol, and ethylbenzene should be possible with an empty bed contact time of 60 s. Methyl tert-butyl ether, isopentane, chloroform and methylene chloride were removed with lower but still substantial efficiencies. Biofilters operated at steady state but non-neutral pHs represent a promising avenue of research.

  16. Combined Extraction of Cesium and Strontium from Akaline Nitrate Solutions

    SciTech Connect (OSTI)

    Delmau, Laetitia Helene; Bonnesen, Peter V; Engle, Nancy L; Haverlock, Tamara; Sloop Jr, Frederick {Fred} V; Moyer, Bruce A

    2006-01-01

    The combined extraction of cesium and strontium from caustic wastes can be achieved by adding a crown ether and a carboxylic acid to the Caustic-Side Solvent Extraction (CSSX) solvent. The ligand 4,4'(5')-di(tert-butyl)cyclohexano-18-crown-6 and one of four different carboxylic acids were combined with the components of the CSSX solvent optimized for the extraction of cesium, allowing for the simultaneous extraction of cesium and strontium from alkaline nitrate media simulating alkaline high level wastes present at the U.S. Department of Energy Savannah River Site. Extraction and stripping experiments were conducted independently and exhibited adequate results for mimicking waste simulant processing through batch contacts. The promising results of these batch tests showed that the system could reasonably be tested on actual waste.

  17. Ultrafast Carbon-Carbon Single-Bond Rotational Isomerization in

    E-Print Network [OSTI]

    Fayer, Michael D.

    of the barrier heights of 1, n-butane, and ethane, the time constants for n-butane and ethane internal rotation is not completely free. (2) The trans-gauche isomerization of 1,2- disubstituted ethane derivatives, such as n-butane energy barrier of the n-butane (È3.4 kcal/mol) and of other simple 1,2-disubstituted ethane derivatives

  18. Pimmel A., and Claypool, G. ODP Technical Note 30

    E-Print Network [OSTI]

    of the system. C1­C4 Hydrocarbons C1­C4 hydrocarbons (methane, ethane, propane, and butane) are found

  19. Anthropogenic emissions of nonmethane hydrocarbons in the northeastern United States: Measured seasonal variations from

    E-Print Network [OSTI]

    Goldstein, Allen

    in relative emissions for this series of trace gases. Seasonal changes in n-butane and i-butane emissions may [Seinfeld and Pandis, 1998]. [3] In this study, we present the seasonality of C2-C6 (ethane, propane, n-butane, i-butane, n-pentane, i-pentane and n-hexane) hydrocarbons, NOy and CO as measured at Harvard Forest

  20. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, Jan. 2009, p. 337344 Vol. 75, No. 2 0099-2240/09/$08.00 0 doi:10.1128/AEM.01758-08

    E-Print Network [OSTI]

    Arnold, Frances H.

    . In Vivo Evolution of Butane Oxidation by Terminal Alkane Hydroxylases AlkB and CYP153A6 Daniel J. Koch,1 by evolutionarily unrelated methane monooxygenases. Propane and butane can be oxidized by CYP enzymes engineered selection for terminal alkane hydroxylase activity and used it to select propane- and butane

  1. ARTICLE IN PRESS UNCORRECTEDPROOF

    E-Print Network [OSTI]

    Kjelstrup, Signe

    effects during adsorption of n-butane on a silicalite-1 membrane: A non-equilibrium molecular dynamics adsorption of n-butane on a silicalite-1 membrane: A non-equilibrium molecular dynamics study I. Inzoli, J the kinetics of adsorption of n-butane molecules in a silicalite membrane. We have chosen this simple well

  2. Zwittermicin A : determination of its complete configuration and total synthesis of its enantiomer

    E-Print Network [OSTI]

    Rogers, Evan W.

    2008-01-01

    dimethyl-1,3-dioxan-4-yl)butane- 1,3-diol (233). Under andimethyl-1,3-dioxan-4-yl)butane- 1,3-diol (234). Under andimethyl-1,3-dioxan-4-yl)butane-1,3-diol (265-268). Under an

  3. Registered Charity Number 207890 Accepted Manuscript

    E-Print Network [OSTI]

    Daraio, Chiara

    micro-reformer ­ functional carrier ­ assembly with high butane conversion rate and high H2 and CO from n-Butane with an Integrated MEMS Assembly for Gas Processing in Micro-Solid Oxide Fuel Cell butane conversion rates of 74% - 85% are obtained at around 550°C. In addition, high hydrogen and carbon

  4. 2007 Botany and Plant Pathology Publications Arp, Daniel

    E-Print Network [OSTI]

    Grünwald, Niklaus J.

    -subunit of butane monooxygenase. J. Bacteriol. 189: 5068-5074 (2007). Gvakharia, B.O., E.A. Permina, M.A. Sayavedra-Soto, D.J. Arp. Butane monooxygenase of Pseudomonas butanovora: purification and biochemical of butane monooxygenase activity in Pseudomonas butanovora; Biochemical and physiological implications

  5. Requirements Hydrocarbon

    E-Print Network [OSTI]

    Cinabro, David

    . Butane is also an option. If material is driving factor these become attractive. Advantages Radiation. He considered two coolants: Butane and R134a (freon replacement used in auto air conditioners). About.021 Butane 72.6 0.014 0.012 10 #12; Advantages Radiation Length Even R134a (Radiation length 80% of wa- ter

  6. www.elsevier.com/locate/ces Author's Accepted Manuscript

    E-Print Network [OSTI]

    Daraio, Chiara

    -reactor for butane-to- syngas processing Nico Hotz, Neil Osterwalder, Wendelin J. Stark, Nicole R. Bieri, Dimos Poulikakos, Disk-shaped packed bed micro-reactor for butane-to-syngas processing, Chemical Engineering pertain. #12;Accepted m anuscript 1 Disk-shaped packed bed micro-reactor for butane-to-syngas processing

  7. Measuringthe Atomic or,Molecular Mass of a Gas with aifire Gauge and atutane Lighter Fluid Can

    E-Print Network [OSTI]

    Bodner, George M.

    ,inexpen&e annaratus based on a butane liehter fluid can and a standard tkk pressure gauge that can 6e used for several with gas-law experiments based on butane lighter fluid cans* suggested that there would be several advantages to using a butane can for these demonstrations. I ) Hutanecans already rontain a valve. 2) Thcae

  8. Fluid transport properties by equilibrium molecular dynamics. I. Methodology at extreme fluid states

    E-Print Network [OSTI]

    Dysthe, Dag Kristian

    precision except for diffusion in gaseous n-butane. The RATTLE algorithm is shown to give accurate transport are too long to obtain representative sampling during a single trajectory by EMD. A recent study1 of n-butane relaxation times for n-butane at the state point used are, however, very short compared with the total

  9. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    E-Print Network [OSTI]

    2010-01-01

    MEX 1 . Compound C-130 T0 T1 G1 Ethane Propane i-Butanen-Butane i-Pentane n-Pentane n-Hexane n-Heptane n-OctaneEthyne Propane Propene i-Butane n-Butane 1-Butene + i-Butene

  10. Water-Soluble 2-Hydroxyisophthalamides for Sensitization of Lanthanide Luminescence

    E-Print Network [OSTI]

    Samuel, Amanda P. S.

    2009-01-01

    tetrakis-(2- aminoethyl)-butane-1,4-diamine [H(4,2)-]. These1 '',N 1 '''-(2,2',2'',2'''-(Butane-1,4-diylbis(azanetriyl))N'-tetrakis-(2- aminoethyl)-butane-1,4-diamine (6c) 12 (0.26

  11. LABORATORY STUDIES ON THE IRRADIATION OF SOLID ETHANE ANALOG ICES AND IMPLICATIONS TO TITAN'S CHEMISTRY

    E-Print Network [OSTI]

    Kaiser, Ralf I.

    , methane (CH4), acetylene (C2H2), ethylene (C2H4), and the ethyl radical (C2H5), together with n-butane (C4 and molecular hydrogen, which may compete with the formation of n-butane inside the ethane matrix. Among the higher molecular products, n-butane dominates. Of particular relevance to the atmosphere of Saturn's moon

  12. Biodegradation 12: 1122, 2001. 2001 Kluwer Academic Publishers. Printed in the Netherlands.

    E-Print Network [OSTI]

    Semprini, Lewis

    Bioaugmentation of butane-utilizing microorganisms to promote cometabolism of 1,1,1-trichloroethane in groundwater October 2000 Key words: 1,1,1 trichloroethane, bioaugmentation, butane-utilizers, cometabolism, DNA from a test site at Moffett Field, Sunnyvale, CA. The initial inoculum for bioaugmentation was a butane

  13. Finding the missing stratospheric Bry: a global modeling study of CHBr3 and CH2Br2

    E-Print Network [OSTI]

    2010-01-01

    MEX 1 . Compound C-130 T0 T1 G1 Ethane Propane i-Butanen-Butane i-Pentane n-Pentane n-Hexane n-Heptane n-OctaneEthyne Propane Propene i-Butane n-Butane 1-Butene + i-Butene

  14. Source characteristics of volatile organic compounds during high ozone episodes in Hong Kong, Southern China

    E-Print Network [OSTI]

    Zhang, J.; Wang, T.; Chameides, W. L; Cardelino, C.; Blake, D. R; Streets, D. G

    2008-01-01

    Kong. Species TO EPD sites Methane Ethane Propane n-butanei-butane n-pentane i-pentane n-hexane 2,2-dimethybutane 2,3-Species Ethane Propane n-butane i-butane n-pentane i-pentane

  15. Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes

    E-Print Network [OSTI]

    Dysthe, Dag Kristian

    Received 2 August 1999; accepted 9 February 2000 Results of new simulations for n-butane, n-decane, n and density of transport property studies by MD of n-butane, n-decane, and n-hexadecane using flexible, mul- tisite molecular models. In the case of n-butane there have been performed at least 14 transport

  16. DIRECT CONTACT HEAT EXCHANGER 10 kW POWER LOOP. SECTION 1: EXECUTIVE SUMMARY. SECTION 2: TEST SERIES NO. 1. SECTION 3; TEST SERIES NO. 2

    E-Print Network [OSTI]

    Engineering, Barber-Nicholas

    2011-01-01

    i t h e r l i q u i d iso- butane or brine. The c o n s t rand thermometers located in d butane temperatures and , and-e t o t h e DCHX 330 + 5OF Butane o u t l e t t e m p e r a

  17. 12 Trees and Graphs 12.1 Rooted and Unrooted Trees

    E-Print Network [OSTI]

    Goddard, Wayne

    , here is a representation of butane: four carbons and ten hydrogen. c Wayne Goddard, Clemson University, and 3 carbon atoms respectively), but there are two isomers of butane. For you to do! 1. Draw the other isomer of butane. 12.2 Graphs A (simple) graph is a collection of vertices and edges such that each edge

  18. This article was downloaded by:[Simon, J. M.] On: 24 August 2007

    E-Print Network [OSTI]

    Kjelstrup, Signe

    ://www.informaworld.com/smpp/title~content=t713644482 Numerical evidence for a thermal driving force during adsorption of butane in silicalite Online. (2007) 'Numerical evidence for a thermal driving force during adsorption of butane in silicalite for a thermal driving force during adsorption of butane in silicalite J. M. SIMON*§, I. INZOLI{k, D. BEDEAUX

  19. Subscriber access provided by TECHNICAL UNIV OF DELFT The Journal of Physical Chemistry B is published by the American Chemical

    E-Print Network [OSTI]

    Kjelstrup, Signe

    Diffusion and Partial Molar Enthalpy Variations of n-Butane in Silicalite-1 I. Inzoli, J. M. Simon, D;Thermal Diffusion and Partial Molar Enthalpy Variations of n-Butane in Silicalite-1 I. Inzoli, J. M. Simon and the Soret coefficient for n-butane in silicalite-1. The heat of transfer was typically 10 kJ/mol. The Soret

  20. Total observed organic carbon (TOOC) in the atmosphere: a synthesis of North American observations

    E-Print Network [OSTI]

    2008-01-01

    2006) Propane i (Hopkins Butane et al. , 2003; Jayne etIf Propane C3H8 ? their ? th Butane C4H10 ? ? date referenceQuestion: c-2-butene C4H8 Butane C4H10 3-methyl-1-butene

  1. This journal is c the Owner Societies 2011 Phys. Chem. Chem. Phys., 2011, 13, 98319838 9831 Cite this: Phys. Chem. Chem. Phys., 2011, 13, 98319838

    E-Print Network [OSTI]

    Goddard III, William A.

    seems crucial to explain the deep oxidation of n-butane to maleic anhydride. 1. Introduction Vanadium the partial oxidation of n-butane (C4H10) to maleic anhydride (MA, C4O3H2) (Scheme 1). This very deep the a axis Scheme 1 Selective oxidation of n-butane to maleic anhydride catalyzed by VPO. Materials

  2. Molecular Components of Catalytic Selectivity

    E-Print Network [OSTI]

    Somorjai, Gabor A.

    2009-01-01

    Hexagonal Square isobutane n-butane isobutane C 1 – C 3H 2 O H 3 C OH 1-Butanol H 3 C H 2 Butane H H 3 C + H 2 CH 3Pyrrolidine + H 2 +NH 3 Butane and ammonia Scheme 1. (a) (b)

  3. 1748 | Chem. Commun., 2014, 50, 1748--1750 This journal is The Royal Society of Chemistry 2014 Cite this: Chem. Commun., 2014,

    E-Print Network [OSTI]

    Goddard III, William A.

    selective direct oxidation of n-butane to maleic anhydride by the vanadium phosphate oxide (VPO) catalyst, in which O2 is the oxidant.7 We found that the strong C­H bonds of n-butane are activated through a unique mechanism involving the OQP rather than the OQV moieties to cleave the butane C­H bond in a homolytic manner

  4. Molecular Properties of the "Ideal" Inhaled Anesthetic: Studies of Fluorinated Methanes, Ethanes, Propanes,

    E-Print Network [OSTI]

    Hudlicky, Tomas

    , Propanes, and Butanes E. 1Eger, 11, MD*, J. Liu, MD*, D. D. Koblin, PhD, MDt, M. J. Laster, DVM*, S. Taheri unfluorinated, partially fluorinated, and perfluorinated methanes, ethanes, propanes, and butanes to define fluorinated methanes, ethanes, propanes, and butanes, also obtaining limited data on longer- chained alkanes

  5. Eastman, AP start on coal unit

    SciTech Connect (OSTI)

    1995-10-25

    Eastman Chemical and Air Products and Chemicals (AP) have started construction of a $214-million, coal-to-methanol demonstration unit at Eastmans site in Kingsport, TN. The project is part of the Department of Energy`s clean coal technology program and is receiving $93 million in federal support. The demonstration unit-which will have a methanol capacity of 260 tons/day-will use novel catalyst technology for converting coal-derived synthesis gas (syngas) to methanol. Unlike conventional technology that processes syngas through a fixed bed of dry catalyst particles, the liquid-phase methanol process converts the syngas in a single vessel containing catalysts suspended in mineral oil. The companies say the innovation allows the process to better able handle the gases from coal gasifiers and is more stable and reliable than existing processes. Eastman says it will use the methanol produced by the plant as a chemical feedstock. It currently uses methanol as an intermediate in making acetic anhydride and dimethyl terephthalate. In addition, the companies say the methanol will be evaluated as a feedstock in making methyl tert-butyl ether for reformulated fuels. Eastman also says it will evaluate coproducing dimethyl ether (DME) with the methanol. DME can be used as a fuel additive or blended with methanol for a chemical feedstock, according to Eastman.

  6. Characterization and permeation properties of ZSM-5 tubular membranes

    SciTech Connect (OSTI)

    Coronas, J.; Falconer, J.L.; Noble, R.D.

    1997-07-01

    ZSM-5 zeolite membranes with reproducible properties were prepared by in-situ synthesis on porous {alpha}- and {gamma}-alumina tubular supports and characterized by XRD, SEM and electron microprobe analysis. Single-gas permeances for H{sub 2}, CH{sub 4}, N{sub 2}, CO{sup 2}, n-butane, and i-butane increase over some temperature range, but some gases exhibit maxima or minima. The highest ideal selectivities at room temperature are 299 for N{sub 2}/SF{sub 6}, 392 for H{sup 2}/n-butane, and 2,820 for H{sub 2}/i-butane. These membranes can separate n-butane/i-butane, H{sub 2}/n-butane and H{sub 2}/i-butane mixtures. All n-butane/i-butane separation selectivities have maxima as a function of temperature and are higher than ideal selectivities because n-butane inhibits i-butane permeation. Thus, separation is not by size selectivity, but is due to pore blocking. Temperature dependencies of single-gas permeances and separation selectivities depend strongly on the location of zeolite crystals and the location is determined by preparation procedure. Ideal selectivities also depend strongly on the preparation procedure. When the zeolite forms a continuous layer on the inside surface of the support tubes, pure i-butane permeates faster than pure n-butane so that the single-gas permeances are not determined just by molecular size. The i-butane permeance also increases much more with temperature than the n-butane permeance. The permeation behavior may be the result of permeation through nonzeolitic pores in parallel with zeolite pores. When zeolite crystals are dispersed throughout the pores of {alpha}-alumina supports, permeances are lower and gas permeation and separation properties are quite different. Ideal selectivities are lower, pure n-butane permeates faster than i-butane, and the permeances increase much less with temperature. Separation selectivities are lower but can be maintained to higher temperatures.

  7. Development and Utilization of Camelid VHH Antibodies from Alpaca for 2,2,4,4-Tetrabrominated Diphenyl Ether Detection

    E-Print Network [OSTI]

    Hammock, Bruce D.

    and Engineering, Clarkson University, Potsdam, New York 13699, United States § Materials Technology Center the 1970s. They have been widely used in electronics, furniture foam, and plastics. Since PBDEs are used

  8. DESIGN AND SYNTHESIS OF THE NEXT GENERATION OF CROWN ETHERS FOR WASTE SEPARATIONS: AN INTER-LABORATORY COMPREHENSIVE PROPOSAL

    SciTech Connect (OSTI)

    Moyer, Bruce A.

    2000-12-31

    The objectives of this project were to develop the techniques, materials, and fundamental understanding necessary to solve difficult separations problems of the USDOE in the 21st century. The specific goals included developing new, powerful molecular modeling tools for ligand design, performing computational and structural studies to reveal fundamental properties of ligand-metal ion interactions, studying solvent extraction behavior to provide basic understanding of solution speciation and equilibria, and preparing new ion-exchange resins for the separation of metal ions of environmental significance to the USDOE. Contaminants of special interest included alkali and alkaline-earth metal ions, especially, lithium, cesium, and strontium. For example, Li+ ions contaminate the groundwater at the Oak Ridge Y-12 Plant; Cs+ and Sr2+ represent fission products in groundwater (e.g., INEEL, Hanford), stored waste (e.g., Savannah River Site, Hanford tanks), and process-water streams (e. g., ORNL).

  9. Extraction of Cesium by a Calix[4]arene-Crown-6 Ether Bearing a Pendant amine Group

    SciTech Connect (OSTI)

    Harmon, Ben; Ensor, Dale; Delmau, Laetitia Helene; Moyer, Bruce A

    2007-01-01

    The goal of this work was to evaluate the role of the amino group of 5-aminomethylcalix[4]arene-[bis-4-(2-ethylhexyl)benzo-crown-6] (AMBEHB) in the extraction of cesium from acidic and basic mixtures of sodium nitrate and other concentrated salts. The extraction of cesium from nitrate media was measured as a function of extractant concentration, nitrate concentration, cesium concentration, and pH over the range 1-13. The initial studies showed a moderate decrease in the extraction of cesium in acidic media, which indicated the binding of cesium by the calixarene-crown was weakened by the protonation of the amine group. The results also indicated that a 1:1:1 Cs-ligand-nitrate complex is formed in the organic phase. To further evaluate AMBEHB, the empirical data were mathematically modeled to determine the formation constants of the complexes formed in the organic phase. The resulting formation constants showed that the attachment of the amine group to the calixarene-crown molecule reduced the binding stability for the cesium ion upon contact with an acidic solution. This supports the hypothesis of charge repulsion as the basis for more efficient stripping of cesium via pH-switching.

  10. Insight into Selected Reactions in Low-Temperature Dimethyl Ether Combustion from Born-Oppenheimer Molecular Dynamics

    E-Print Network [OSTI]

    Carter, Emily A.

    fuel, which is comprised of long-chain hydrocarbons. Unlike conventional diesel fuel, DME creates for conventional diesel fuel. DME's propensity to compression ignite is comparable to that of conventional diesel

  11. Process Design, Simulation and Integration of Dimethyl Ether (DME) Production from Shale Gas by Direct and Indirect Methods 

    E-Print Network [OSTI]

    Karagoz, Secgin

    2014-08-11

    of sustainable energy. Over the last decade, the U.S has witnessed substantial growth in shale gas production. Consequently, shale gas has become a competitive feedstock for usage as energy and production of chemicals and petrochemicals. A valuable product which...

  12. Effects of bile salts and other carboxylates on the reactions of N-tert-butyl-2,4,6-trinitrobenzamide in dimethyl sulfoxide-water solutions 

    E-Print Network [OSTI]

    Koranek, David James

    1977-01-01

    incandescent bulb at a distance of 20 cm), [5] = 4x10 M: Curve 1 ( . ), initial spectrum; Curve Z ( ? ), after 2 hours; Curve 3 (---), after 10 days; Curve 4 (+-+), after 24 days. . . 92 2Z Absorption spectra of the complex in DMSO at 25. 0'C... of the absorbance at 535 nm vs. nitrite ion concentration using 1. 0 cm cells at 25. 0'C. 4 Absorption spectra of the complex generated in situ from Page 15 24 27 5 at 25. 0'C: 10 M NaOH; 10 M NaOH; -2 Curve 1 (---), in 99K/1% DMSO/H20 (v/v), Curve 2...

  13. A study of the condensation of primary, secondary, and tertiary butyl alcohols with benzene in the presence of anhydrous ferric chloride 

    E-Print Network [OSTI]

    Dodson, Ralph Jordan

    1939-01-01

    with aresatio hg4rosoxboas aeso those shish ooataiao4 the QK greay aituate4 aloes be a 4oohlo boa4 (4) yatosse oa4 yileti, Xloyfer, 8K ~ 5I 5btV (1899) (V) 8ohlaa ao4 Kleyfor, Sar, , ~58 5150 (1899) ~ (8} Khstisoht ao4 PoLaositeh, ~, ~ 5104 (1909} (9...) Huetoa oa4 yx4o4ssouai ~ 5995 (1954) ~ Bootes, sosis, oa4 0roh~at, ibb4, ~ 1555 (195t) g Raelea oa4 Lssis, ~. ~ ~55 SSty (1951) g Rsstca os4 Boat, ~, ~ 1505 (1955}} ~ oa4 stsisuoe, ~b. , ~ 481' (1955} g Bustoa 0eamteat ea4 sasOaL11+ ibbL, ~58 4484...

  14. An evaluation of the 3M Organic Vapor Monitor #3500 as a short term exposure limit sampling device for acetone, methyl ethyl ketone, and methyl iso butyl ketone 

    E-Print Network [OSTI]

    Andrew, Lloyd B.

    1982-01-01

    . Six (6) monitors were removed from 3M's resealable envelopes and labeled. The monitors were attached to the aluminum disc so the air movement would be perpendicular to and against the back of the monitor. dl '0 l 0 dt dl dt 0 td 0 IJ 0 0 0 0... the contaminant into the system. The F-values in Table 7 are all greater than 3. 0718 so the null hypothesis is rejected, or Equation 4 is rejected in support of Equation 5. This means there are three different slopes describing the relationship between...

  15. Supplement of Atmos. Chem. Phys., 15, 35273542, 2015 http://www.atmos-chem-phys.net/15/3527/2015/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    (ethylene) 18.6 18.0 propane 30.3 33.1 propene (propylene) 5.5 6.4 2-methylpropane (i-butane) 16.1 16.7 Butane (n-butane) 30.6 30.5 trans-but-2-ene (t-2-butene) 0.0 1-butene (but-1-ene) 0.0 cis-but-2-ene (c-2

  16. Kinetic and Inhibition Studies for the Aerobic Cometabolism of

    E-Print Network [OSTI]

    Semprini, Lewis

    ,1-Dichloroethylene, and 1,1-Dichloroethane by a Butane-Grown Mixed Culture Young Kim,1 Daniel J. Arp,2 Lewis Semprini), and 1,1-dichloroethane (1,1-DCA) by a butane- grown mixed culture. These chlorinated aliphatic hydro. The highest kmax was obtained for butane (2.6 µmol/mg TSS/ h) followed by 1,1-DCE (1.3 µmol/mg TSS/h), 1,1-DCA

  17. Volume 75, number 1 CHEMICAL PHYSICS LETTERS 1 October 1980 ISOMERIZATION DYNAMICS lN LiQUlDS BY MOLECULAR DYNAMlCS*

    E-Print Network [OSTI]

    Berne, Bruce J.

    are made of lsomerlzatlon dynamrcs of lz-butane dissolved m hquld CC14 and m a r&ud matrl\\ Rate constants,-CH, 2 _cH kz_ (gauche) " (trans) .CH, m wfuch n-butane undergoes a gauche-trans Isomen- zahon. The stage for this work is set by our previous molecular dynamics and Monte Carlo studies of n- butane in hquid Ccl, [l

  18. A nanoparticle bed micro-reactor with high syngas yield for moderate temperature micro-scale SOFC power plants

    E-Print Network [OSTI]

    Daraio, Chiara

    . c The micro-reactor is able to achieve higher syngas yield for n-butane and propane than state systems. It is shown that the presented micro-reactor is able to produce syngas (COþH2) efficiently from n-butane. The present micro-reactor is able to achieve syngas yield as high as 60% for n-butane and 50% for propane

  19. It's The Fluids SEG Honorary Lecture

    E-Print Network [OSTI]

    T.P. Water Butane CO2 #12;Fluid ­ Density 800 1000 1200FluidDensity[kg/m3] Brine CO2 0 2 4 6 8 10 0 200 400 600 Fluid Pressure [MPa] FluidDensity[kg/m Butane CO2 #12;Fluid ­ Modulus 2000 2500 3000 FluidModulus[MPa] Brine 0 2 4 6 8 10 0 500 1000 1500 Fluid Pressure [MPa] FluidModulus[MPa] Butane CO2 #12;GENERAL PHASE

  20. Tax Credits, Rebates & Savings | Department of Energy

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

    fuel or power source excluding propane, butane, napht... Eligibility: Commercial, Industrial Savings Category: Geothermal Electric, Solar Thermal Process Heat, Wind (All),...

  1. Modeling of Plug-in Electric Vehicles Interactions with a Sustainable Community Grid in the Azores

    E-Print Network [OSTI]

    Mendes, Goncalo

    2013-01-01

    liquefied petroleum gas (LPG), namely butane, is provided tocapabilities and running on LPG. ICE - Internal Combustionload requirement and high LPG prices forces also stationary

  2. gas.ps.gz

    E-Print Network [OSTI]

    2000-08-09

    Aug 9, 2000 ... can be used for simulating a liquid tracer injection and consists of the classical ...... Since natural gases such as methane, propane, butane, and ...

  3. Tax Credits, Rebates & Savings | Department of Energy

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

    natural gas or fuel oil to an alternate fuel or power source excluding propane, butane, napht... Eligibility: Commercial, Industrial Savings Category: Geothermal Electric,...

  4. TABLE16.CHP:Corel VENTURA

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

    597 PropanePropylene ... 345 355 108 - -35 137 - 0 12 625 Normal ButaneButylene ... 77 145 63 - 13 127 - 17 1 153 IsobutaneIsobutylene...

  5. TABLE17.CHP:Corel VENTURA

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

    0 614 PropanePropylene ... 342 351 56 - -83 11 - 0 20 636 Normal ButaneButylene ... 74 84 32 - 13 41 - 42 2 118 IsobutaneIsobutylene...

  6. TABLE56.CHP:Corel VENTURA

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

    ... 2,153 0 2,153 1,884 1,514 370 Normal ButaneButylene ... 0 0 0 527 415 112 IsobutaneIsobutylene...

  7. TABLE04.CHP:Corel VENTURA

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

    0 637 PropanePropylene ... 527 581 214 - 224 - 0 22 1,076 Normal ButaneButylene ... 144 258 69 - 214 - 41 27 190 IsobutaneIsobutylene...

  8. table09.chp:Corel VENTURA

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

    709 PropanePropylene ... 363 301 4 - -158 -120 - 0 21 610 Normal ButaneButylene ... 76 3 6 - -11 -89 - 100 8 54 IsobutaneIsobutylene...

  9. table03.chp:Corel VENTURA

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

    734 PropanePropylene ... 533 527 137 - -310 - 0 29 1,478 Normal ButaneButylene ... 155 -65 28 - -179 - 234 24 39 IsobutaneIsobutylene...

  10. Natural gas treatment process using PTMSP membrane

    DOE Patents [OSTI]

    Toy, L.G.; Pinnau, I.

    1996-03-26

    A process is described for separating C{sub 3}+ hydrocarbons, particularly propane and butane, from natural gas. The process uses a poly(trimethylsilylpropyne) membrane. 6 figs.

  11. Natural gas treatment process using PTMSP membrane

    SciTech Connect (OSTI)

    Toy, Lora G.; Pinnau, Ingo

    1996-01-01

    A process for separating C.sub.3 + hydrocarbons, particularly propane and butane, from natural gas. The process uses a poly(trimethylsilylpropyne) membrane.

  12. ORGANIC SPECIES IN GEOTHERMAL WATERS IN LIGHT OF FLUID INCLUSION...

    Open Energy Info (EERE)

    > 0.001 mol % typically have ethane > ethylene, propane > propylene, and butane > butylene. There are three end member fluid compositions: type 1 fluids in which...

  13. "Nanocrystal bilayer for tandem catalysis"

    E-Print Network [OSTI]

    Yamada, Yusuke

    2012-01-01

    Part VI. Hydrogenolysis of Ethane, Propane, n-Butane andactivation energy for ethane hydrogenolysis over platinum-such as propanol or ethane was less than the detection

  14. Revisiting the Long-Term Hedge Value of Wind Power in an Era of Low Natural Gas Prices

    E-Print Network [OSTI]

    Bolinger, Mark

    2014-01-01

    are more closely linked to oil prices) than it is in thepropane, and butane) or shale oil. To summarize, with gas

  15. Characterization of trace gases measured over Alberta oil sands mining operations: 76 speciated C2-C10 volatile organic compounds (VOCs), CO2, CH4, CO, NO, NO2, NOy, O3 and SO2

    E-Print Network [OSTI]

    2010-01-01

    For example the catalytic hydrocracking of Athabasca bitumenpossibly from fuel gas and/or hydrocracking. The butanes areerations. Similarly, hydrocracking operations do not appear

  16. Clearing the Air? The Effects of Gasoline Content Regulation on Air Quality

    E-Print Network [OSTI]

    Auffhammer, Maximilian; Kellogg, Ryan

    2009-01-01

    refiners are blending more butane into gasoline than theygasoline. Lidderdale (1999) evaluates the impact of RVP on refining operations and finds that refiners’ summer blending

  17. Tax Credits, Rebates & Savings | Department of Energy

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

    facilities are those that are used for the primary purpose of converting natural gas or fuel oil to an alternate fuel or power source excluding propane, butane, napht......

  18. Tax Credits, Rebates & Savings | Department of Energy

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

    of converting natural gas or fuel oil to an alternate fuel or power source excluding propane, butane, napht... Eligibility: Commercial, Industrial Savings Category: Geothermal...

  19. A BRIEF HISTORY OF INDUSTRIAL CATALYSIS

    E-Print Network [OSTI]

    Heinemann, Heinz

    2013-01-01

    R. H. , and Boyer, R. F. Styrene. Reinhold Publishing co. ,AMMOXIDATION) LO STYRENE { DEHYDROGENATION) HYDROGENATIONSlbenzene dehydro~~ genation to styrene monomero Butane

  20. Airborne measurement of OH reactivity during INTEX-B

    E-Print Network [OSTI]

    2009-01-01

    plus OH sign), reactiv- propane ing different gases gases atisoprene (plus sign), propane (star) and propene (triangle).NMHC includes ethane, ethene, propane, propene, i-butane, n-

  1. Tax Credits, Rebates & Savings | Department of Energy

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

    are those that are used for the primary purpose of converting natural gas or fuel oil to an alternate fuel or power source excluding propane, butane, napht... Eligibility:...

  2. Tax Credits, Rebates & Savings | Department of Energy

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

    those that are used for the primary purpose of converting natural gas or fuel oil to an alternate fuel or power source excluding propane, butane, napht... Eligibility:...

  3. Chemical Hygiene and Safety Plan

    E-Print Network [OSTI]

    Ricks Editor, R.

    2009-01-01

    pyrophoric gases. 1,3 butadiene arsenic pentafluoride arsineof highly toxic and/or 1,3-butadiene arsenic pentafluorideAmmonia, acetylene, butadiene, butane, methane, propane (or

  4. Development of a partition function for polymer systems 

    E-Print Network [OSTI]

    Oliver-Labra, Pedro Aurelio

    1967-01-01

    of the Reduced Pressure, Reduced Temperature, and Calculated Reduced Vol- ume i'or Mixtures of Heptane and Butyl Rubber 19 III. Values for Mixtures of Octane and Butyl Rubber 19 IV. Values for Mixtures of Nonane and Butyl Rubber 20 V. Values for Mixtures... of Decane and Butyl Rubber 20 VI. Values Obtained Using the Formulation Derived in this Thesis for Heptane and Butyl Rubber 23 VII. Values for Mixtures of Octane and Butyl Rubber 23 VIII. Values for Mixtures of Nonane and Butyl Rubber 24 IX. Values...

  5. Which oxygenates is right for you?

    SciTech Connect (OSTI)

    Chang, E.J. [SRI International, Menlo Park, CA (United States)

    1994-12-31

    Recent announcements of additional sources of oxygenates have generated considerable interest. Increasing demand for methyl tert-butyl ether (MTBE) worldwide, especially in the United States for oxygenated fuel and reformulated gasoline (RFG), provides the primary incentive for technologies that produce additional raw material (namely isobutene) and/or alternative oxygenate compounds. Normal butene isomerization and diisopropyl ether (DIPE) are two new processes introduced in 1992 to meet the oxygenate demand. The U.S. Clean Air Act Amendments of 1990 (CAAA) have created a huge demand for capital. Between 1991 and 2000, the U.S. refining industry will need to make capital expenditures of about $37 billion (1990 dollars) to meet refinery regulatory requirements, and to manufacture reformulated gasoline and ultra-low sulfur diesel fuel. To obtain financing, whether internally or from external sources, projects must provide sound economics and pose minimal technological risks. These concerns have prevented several large MTBE projects, involving both established and new technologies, from going forward. The introduction of normal butene isomerization and DIPE processes has generated a great deal of enthusiasm, but neither process had been licensed by the third quarter of 1993. Technology risk is a major barrier to obtaining financing inasmuch as lenders arc unlikely to finance the first commercial application of any technology. Currently, Texas Olefins/Phillips Petroleum and Lyondell have demonstrated normal butene isomerization on a commercial scale in their plants. However, Mobil has not demonstrated the DIPE process beyond the pilot plant stage. In this paper, we assess the technological aspects of normal butene isomerization and DIPE processes, and compare their economics with existing etherification processes.

  6. Sorbents for High Temperature Removal of Arsenic from Coal-Derived Synthesis Gas

    SciTech Connect (OSTI)

    Alptekin, G.O.; Copeland, R.; Dubovik, M.; Gershanovich, Y.

    2002-09-20

    Gasification technologies convert coal and other heavy feedstocks into synthesis gas feed streams that can be used in the production of a wide variety of chemicals, ranging from hydrogen through methanol, ammonia, acetic anhydride, dimethyl ether (DME), methyl tertiary butyl ether (MTBE), high molecular weight liquid hydrocarbons and waxes. Syngas can also be burned directly as a fuel in advanced power cycles to generate electricity with very high efficiency. However, the coal-derived synthesis gas contains a myriad of trace contaminants that may poison the catalysts that are used in the downstream manufacturing processes and may also be regulated in power plant emissions. Particularly, the catalysts used in the conversion of synthesis gas to methanol and other liquid fuels (Fischer-Tropsch liquids) have been found to be very sensitive to the low levels of poisons, especially arsenic, that are present in the synthesis gas from coal. TDA Research, Inc. (TDA) is developing an expendable high capacity, low-cost chemical absorbent to remove arsenic from coal-derived syngas. Unlike most of the commercially available sorbents that physically adsorb arsenic, TDA's sorbent operates at elevated temperatures and removes the arsenic through chemical reaction. The arsenic content in the coal gas stream is reduced to ppb levels with the sorbent by capturing and stabilizing the arsenic gas (As4) and arsenic hydrides (referred to as arsine, AsH3) in the solid state. To demonstrate the concept of high temperature arsenic removal from coal-derived syngas, we carried out bench-scale experiments to test the absorption capacity of a variety of sorbent formulations under representative conditions. Using on-line analysis techniques, we monitored the pre- and post-breakthrough arsine concentrations over different sorbent samples. Some of these samples exhibited pre-breakthrough arsine absorption capacity over 40% wt. (capacity is defined as lb of arsenic absorbed/lb of sorbent), while maintaining an arsine outlet concentration at less than 10 ppb.

  7. untitled

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

    Propane 687 27 714 1,615 208 453 2,276 Propylene 492 0 492 937 85 208 1,230 Normal ButaneButylene -645 -47 -692 -253 -438 -772 -1,463 Normal Butane -645 -47 -692 -254 -438...

  8. PSA Vol 1 Tables Revised Ver 2 Print.xls

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

    18,826 2,541 5,013 26,380 Propylene 6,005 0 6,005 10,165 831 2,101 13,097 Normal ButaneButylene -574 -38 -612 4,428 -1,347 -2,463 618 Normal Butane -547 -38 -585 4,467...

  9. Supplemental Material S1 UBWOS 2012 data used in this analysis

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    40 20 0 -20 n-butane/ppbv 20151050 Time / hrs #12;(v) (vi) (vii) (viii -10 i-butane/ppbv 20151050 Time / hrs 0.3 0.2 0.1 0.0 2,2-dimethylbutane/ ppbv 20151050 Time / hrs 40

  10. untitled

    Gasoline and Diesel Fuel Update (EIA)

    Propane 842 30 872 1,517 189 444 2,150 Propylene 478 0 478 840 62 121 1,023 Normal ButaneButylene -739 -19 -758 -277 -70 -209 -556 Normal Butane -733 -19 -752 -261 -70 -209...

  11. COI Name COI Synonym CAS 1-Pentene 109-67-1

    E-Print Network [OSTI]

    Movileanu, Liviu

    ,4-Bis(2-chloroethylthio)-n-butane 142868-93-7 1,5-Bis(2-chloroethylthio)-n-pentane 142868-94-8 1-Butene-71-5 Bromotrifluorethylene [Ethene, bromotrifluoro-] 598-73-2 Butane 106-97-8 Butene 25167-67-3 Butyltrichlorosilane 7521

  12. Inert Gas Dilution Effect on the Flammability Limits of Hydrocarbon Mixtures 

    E-Print Network [OSTI]

    Zhao, Fuman

    2012-02-14

    )????????????????????????..??...70 xii FIGURE Page 5.5 N-butane flammability properties with dilution of nitrogen (25 ?C and 1... and the regressed linear curve...........................................................................................................83 5.15 Experimental n-butane LFL diluted with N2 and the regressed linear curve..????????....????????????????...84 5...

  13. Meaningful Energy Efficiency Performance Metrics for the Process Industries 

    E-Print Network [OSTI]

    Kumana, J. D.; Sidhwa, N. R.

    2009-01-01

    , New Orleans, LA, May 12-15, 2009 Figure 10. Product EPIs for Two Grades of Liquid Butane Figure 10 shows the product EPIs for liquid butane product that is produced in two grades. One is pipeline grade (non-refrigerated) and the other...

  14. Development and Characterization of Gas Chromatographic Columns for the Analysis of

    E-Print Network [OSTI]

    Vertes, Akos

    -DMPS and DMPS phases. On CPPS-DMPS phase, the retention time decreased as 1,3-butadiene > 1-butene > n-butane, whereas on DMPS phase the order was n-butane > 1,3- butadiene > 1-butene. With the exception of certain

  15. Atmos. Chem. Phys., 9, 74917504, 2009 www.atmos-chem-phys.net/9/7491/2009/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    , and D. Park6 1Department of Civil and Structural Engineering, Research Center for Environmental most abundant VOCs observed in the tunnel were, in decreasing order, ethene, toluene, n-butane, propane. The high propane and n-butane emissions were found to be associated with liq- uefied petroleum gas (LPG

  16. Supplement of Atmos. Chem. Phys., 15, 14891502, 2015 http://www.atmos-chem-phys.net/15/1489/2015/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    propane toluene i-butane ethylbenzne n-butane m,p-xylene i-pentane o-xylene n-pentane Alkenes n-2001 Code for indoor environmental pollution control of civil building engineering 5 g/L -- 2002.01.01 #12-comparisons of (a) propane, (b) propene, (c) i-pentane, (d) benzene, and (e) toluene measurements among online GC

  17. Atmos. Chem. Phys., 8, 27732796, 2008 www.atmos-chem-phys.net/8/2773/2008/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    are considered: molecular carbon, alkyl hydroxyl, aromatic hydroxyl, alkyl ether, alkyl ring ether, aromatic ether, aldehyde, ketone, carboxylic acid, ester, nitrate, nitro, alkyl amine (primary, secondary, and tertiary), aromatic amine, amide (primary, secondary, and tertiary), peroxide, hydroperoxide, peroxy acid

  18. Peroxisome proliferator-activated receptor gamma modulation and lipogenic response in adipocytes of small-for-gestational age offspring

    E-Print Network [OSTI]

    2012-01-01

    of rosiglitazone or bisphenol-A diglycidyl ether (BADGE).studied. Con- versely, bisphenol-A diglycidyl ether (BADGE),receptor gamma; BADGE: Bisphenol-A diglycidyl ether; TZD:

  19. Synthesis of new high performance lubricants and solid lubricants. Progress report, April 1992--March 1993

    SciTech Connect (OSTI)

    Lagow, R.J.

    1993-04-01

    Synthesis and testing was begun on a number of new classes of lubricants: perfluoropolyethers (branching effects), perfluoromethylene oxide ethers, chlorine-substituted fluorocarbon polyethers, fluorine-containing branched ether lubricants, glycerine- based perfluoropolyesters, perfluoro epoxy ether chains, etc.

  20. Synthesis of new high performance lubricants and solid lubricants

    SciTech Connect (OSTI)

    Lagow, R.J.

    1993-04-01

    Synthesis and testing was begun on a number of new classes of lubricants: perfluoropolyethers (branching effects), perfluoromethylene oxide ethers, chlorine-substituted fluorocarbon polyethers, fluorine-containing branched ether lubricants, glycerine- based perfluoropolyesters, perfluoro epoxy ether chains, etc.