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Sample records for molecular catalytic hydrogenation

  1. Molecular catalytic hydrogenation of aromatic hydrocarbons and...

    Office of Scientific and Technical Information (OSTI)

    catalysts for the hydrogenation of monocyclic aromatic hydrocarbons under mild conditions. ... NAPHTHALENE; CHRYSENE; ORGANOMETALLIC COMPOUNDS; CATALYTIC EFFECTS; RHODIUM COMPOUNDS; ...

  2. Molecular catalytic hydrogenation of aromatic hydrocarbons and

    Office of Scientific and Technical Information (OSTI)

    catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids. Yang, Shiyong; Stock, L.M. 01 COAL, LIGNITE, AND PEAT; 40 CHEMISTRY; COAL LIQUIDS;...

  3. A Photosynthetic Hydrogel for Catalytic Hydrogen Production ...

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

    A Photosynthetic Hydrogel for Catalytic Hydrogen Production Home > Research > ANSER Research Highlights > A Photosynthetic Hydrogel for Catalytic Hydrogen Production...

  4. Microchannel Reactor System for Catalytic Hydrogenation

    SciTech Connect (OSTI)

    2004-07-01

    Energy-Efficient Catalytic Hydrogenation Reactions. Hydrogenation reactions are very versatile and account for 10% to 20% of all reactions in the pharmaceutical industry.

  5. Comparison of Water-Hydrogen Catalytic Exchange Processes Versus...

    Office of Environmental Management (EM)

    Comparison of Water-Hydrogen Catalytic Exchange Processes Versus Water Distillation for Water Detritiation Comparison of Water-Hydrogen Catalytic Exchange Processes Versus Water ...

  6. Catalytic two-stage coal hydrogenation and hydroconversion process

    DOE Patents [OSTI]

    MacArthur, James B.; McLean, Joseph B.; Comolli, Alfred G.

    1989-01-01

    A process for two-stage catalytic hydrogenation and liquefaction of coal to produce increased yields of low-boiling hydrocarbon liquid and gas products. In the process, the particulate coal is slurried with a process-derived liquid solvent and fed at temperature below about 650.degree. F. into a first stage catalytic reaction zone operated at conditions which promote controlled rate liquefaction of the coal, while simultaneously hydrogenating the hydrocarbon recycle oils at conditions favoring hydrogenation reactions. The first stage reactor is maintained at 650.degree.-800.degree. F. temperature, 1000-4000 psig hydrogen partial pressure, and 10-60 lb coal/hr/ft.sup.3 reactor space velocity. The partially hydrogenated material from the first stage reaction zone is passed directly to the close-coupled second stage catalytic reaction zone maintained at a temperature at least about 25.degree. F. higher than for the first stage reactor and within a range of 750.degree.-875.degree. F. temperature for further hydrogenation and thermal hydroconversion reactions. By this process, the coal feed is successively catalytically hydrogenated and hydroconverted at selected conditions, which results in significantly increased yields of desirable low-boiling hydrocarbon liquid products and minimal production of undesirable residuum and unconverted coal and hydrocarbon gases, with use of less energy to obtain the low molecular weight products, while catalyst life is substantially increased.

  7. Performance characterization of a hydrogen catalytic heater.

    SciTech Connect (OSTI)

    Johnson, Terry Alan; Kanouff, Michael P.

    2010-04-01

    This report describes the performance of a high efficiency, compact heater that uses the catalytic oxidation of hydrogen to provide heat to the GM Hydrogen Storage Demonstration System. The heater was designed to transfer up to 30 kW of heat from the catalytic reaction to a circulating heat transfer fluid. The fluid then transfers the heat to one or more of the four hydrogen storage modules that make up the Demonstration System to drive off the chemically bound hydrogen. The heater consists of three main parts: (1) the reactor, (2) the gas heat recuperator, and (3) oil and gas flow distribution manifolds. The reactor and recuperator are integrated, compact, finned-plate heat exchangers to maximize heat transfer efficiency and minimize mass and volume. Detailed, three-dimensional, multi-physics computational models were used to design and optimize the system. At full power the heater was able to catalytically combust a 10% hydrogen/air mixture flowing at over 80 cubic feet per minute and transfer 30 kW of heat to a 30 gallon per minute flow of oil over a temperature range from 100 C to 220 C. The total efficiency of the catalytic heater, defined as the heat transferred to the oil divided by the inlet hydrogen chemical energy, was characterized and methods for improvement were investigated.

  8. A Photosynthetic Hydrogel for Catalytic Hydrogen Production | ANSER Center

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

    | Argonne-Northwestern National Laboratory A Photosynthetic Hydrogel for Catalytic Hydrogen Production Home > Research > ANSER Research Highlights > A Photosynthetic Hydrogel for Catalytic Hydrogen Production

  9. Molecular catalytic coal liquid conversion. Quarterly status...

    Office of Scientific and Technical Information (OSTI)

    July--September 1995 Citation Details In-Document Search Title: Molecular catalytic coal liquid conversion. Quarterly status report, July--September 1995 You are accessing...

  10. Molecular catalytic coal liquid conversion. Quarterly report...

    Office of Scientific and Technical Information (OSTI)

    October--December 1994 Citation Details In-Document Search Title: Molecular catalytic coal liquid conversion. Quarterly report, October--December 1994 In this Quarter, the...

  11. Molecular catalytic coal liquid conversion. Quarterly report...

    Office of Scientific and Technical Information (OSTI)

    report Citation Details In-Document Search Title: Molecular catalytic coal liquid conversion. Quarterly report In this Quarter, the research was focused continually on the two...

  12. Molecular catalytic coal liquid conversion. Quarterly status...

    Office of Scientific and Technical Information (OSTI)

    report Citation Details In-Document Search Title: Molecular catalytic coal liquid conversion. Quarterly status report You are accessing a document from the Department of...

  13. Make the most of catalytic hydrogenations

    SciTech Connect (OSTI)

    Landert, J.P.; Scubla, T. [Biazzi S.A., Chailly-Montreux (Switzerland)

    1995-03-01

    Liquid-phase catalytic hydrogenation is one of the most useful and versatile reactions available for organic synthesis. Because it is environmentally clean, it has replaced other reduction processes, such as the Bechamp reaction, and zinc and sulfide reductions. Moreover, the economics are favorable, provided that raw materials free of catalyst poisons are used. The hydrogenation reaction is very selective with appropriate catalysts and can often be carried out without a solvent. Applications include reduction of unsaturated carbon compounds to saturated derivatives (for example, in vegetable-oil processing), carbonyl compounds to alcohols (such as sorbitol), and nitrocompounds to amines. the reactions are usually run in batch reactors to rapidly reach complete conversion and allow quick change-over of products. The paper describes the basics of hydrogenation; steering clear of process hazards; scale-up and optimization; and system design in practice.

  14. Hydrogen permeable protective coating for a catalytic surface

    DOE Patents [OSTI]

    Liu, Ping; Tracy, C. Edwin; Pitts, J. Roland; Lee, Se-Hee

    2007-06-19

    A protective coating for a surface comprising a layer permeable to hydrogen, said coating being deposited on a catalyst layer; wherein the catalytic activity of the catalyst layer is preserved.

  15. Method for low temperature catalytic production of hydrogen

    DOE Patents [OSTI]

    Mahajan, Devinder

    2003-07-22

    The invention provides a process for the catalytic production of a hydrogen feed by exposing a hydrogen feed to a catalyst which promotes a base-catalyzed water-gas-shift reaction in a liquid phase. The hydrogen feed can be provided by any process known in the art of making hydrogen gas. It is preferably provided by a process that can produce a hydrogen feed for use in proton exchange membrane fuel cells. The step of exposing the hydrogen feed takes place preferably from about 80.degree. C. to about 150.degree. C.

  16. 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)

  17. Converting sugars to sugar alcohols by aqueous phase catalytic hydrogenation

    DOE Patents [OSTI]

    Elliott, Douglas C.; Werpy, Todd A.; Wang, Yong; Frye, Jr., John G.

    2003-05-27

    The present invention provides a method of converting sugars to their corresponding sugar alcohols by catalytic hydrogenation in the aqueous phase. It has been found that surprisingly superior results can be obtained by utilizing a relatively low temperature (less than 120.degree. C.), selected hydrogenation conditions, and a hydrothermally stable catalyst. These results include excellent sugar conversion to the desired sugar alcohol, in combination with long life under hydrothermal conditions.

  18. Microchannel Reactor System for Catalytic Hydrogenation

    SciTech Connect (OSTI)

    2004-07-01

    This factsheet describes a research project whose goal is to design, fabricate, evaluate, and optimize a laboratory-scale microchannel reactor/heat exchanger system with thin-film or particulate catalysts for hydrogenation of o-nitroanisole and other nitro aromatic compounds, under moderate temperature and pressure.

  19. Catalytic Combustion for Ultra-Low NOx Hydrogen Turbines

    SciTech Connect (OSTI)

    Etemad, Shahrokh; Baird, Benjamin; Alavandi, Sandeep

    2011-06-30

    Precision Combustion, Inc., (PCI) in close collaboration with Solar Turbines, Incorporated, has developed and demonstrated a combustion system for hydrogen fueled turbines that reduces NOx to low single digit level while maintaining or improving current levels of efficiency and eliminating emissions of carbon dioxide. Full scale Rich Catalytic Hydrogen (RCH1) injector was developed and successfully tested at Solar Turbines, Incorporated high pressure test facility demonstrating low single digit NOx emissions for hydrogen fuel in the range of 2200F-2750F. This development work was based on initial subscale development for faster turnaround and reduced cost. Subscale testing provided promising results for 42% and 52% H2 with NOx emissions of less than 2 ppm with improved flame stability. In addition, catalytic reactor element testing for substrate oxidation, thermal cyclic injector testing to simulate start-stop operation in a gas turbine environment, and steady state 15 atm. operation testing were performed successfully. The testing demonstrated stable and robust catalytic element component life for gas turbine conditions. The benefit of the catalytic hydrogen combustor technology includes capability of delivering near-zero NOx without costly post-combustion controls and without requirement for added sulfur control. In addition, reduced acoustics increase gas turbine component life. These advantages advances Department of Energy (DOE’s) objectives for achievement of low single digit NOx emissions, improvement in efficiency vs. postcombustion controls, fuel flexibility, a significant net reduction in Integrated Gasification Combined Cycle (IGCC) system net capital and operating costs, and a route to commercialization across the power generation field from micro turbines to industrial and utility turbines.

  20. Coal hydrogenation and deashing in ebullated bed catalytic reactor

    DOE Patents [OSTI]

    Huibers, Derk T. A.; Johanson, Edwin S.

    1983-01-01

    An improved process for hydrogenation of coal containing ash with agglomeration and removal of ash from an ebullated bed catalytic reactor to produce deashed hydrocarbon liquid and gas products. In the process, a flowable coal-oil slurry is reacted with hydrogen in an ebullated catalyst bed reaction zone at elevated temperature and pressure conditions. The upward velocity and viscosity of the reactor liquid are controlled so that a substantial portion of the ash released from the coal is agglomerated to form larger particles in the upper portion of the reactor above the catalyst bed, from which the agglomerated ash is separately withdrawn along with adhering reaction zone liquid. The resulting hydrogenated hydrocarbon effluent material product is phase separated to remove vapor fractions, after which any ash remaining in the liquid fraction can be removed to produce substantially ash-free coal-derived liquid products.

  1. DWPF CATALYTIC HYDROGEN GENERATION PROGRAM - REVIEW OF CURRENT STATUS

    SciTech Connect (OSTI)

    Koopman, D.

    2009-07-10

    Significant progress has been made in the past two years in improving the understanding of acid consumption and catalytic hydrogen generation during the Defense Waste Processing Facility (DWPF) processing of waste sludges in the Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME). This report reviews issues listed in prior internal reviews, describes progress with respect to the recommendations made by the December 2006 external review panel, and presents a summary of the current understanding of catalytic hydrogen generation in the DWPF Chemical Process Cell (CPC). Noble metals, such as Pd, Rh, and Ru, are historically known catalysts for the conversion of formic acid into hydrogen and carbon dioxide. Rh, Ru, and Pd are present in the DWPF SRAT feed as by-products of thermal neutron fission of {sup 235}U in the original waste. Rhodium appears to become most active for hydrogen as the nitrite ion concentration becomes low (within a factor of ten of the Rh concentration). Prior to hydrogen generation, Rh is definitely active for nitrite destruction to N{sub 2}O and potentially active for nitrite to NO formation. These reactions are all consistent with the presence of a nitro-Rh complex catalyst, although definite proof for the existence of this complex during Savannah River Site (SRS) waste processing does not exist. Ruthenium does not appear to become active for hydrogen generation until nitrite destruction is nearly complete (perhaps less nitrite than Ru in the system). Catalytic activity of Ru during nitrite destruction is significantly lower than that of either Rh or Pd. Ru appears to start activating as Rh is deactivating from its maximum catalytic activity for hydrogen generation. The slow activation of the Ru, as inferred from the slow rate of increase in hydrogen generation that occurs after initiation, may imply that some species (perhaps Ru itself) has some bound nitrite on it. Ru, rather than Rh, is primarily responsible for the hydrogen generation in the SME cycle when the hydrogen levels are high enough to be noteworthy. Mercury has a role in catalytic hydrogen generation. Two potentially distinct roles have been identified. The most dramatic effect of Hg on hydrogen generation occurs between runs with and without any Hg. When a small amount of Hg is present, it has a major inhibiting effect on Rh-catalyzed H{sub 2} generation. The Rh-Ru-Hg matrix study showed that increasing mercury from 0.5 to 2.5 wt% in the SRAT receipt total solids did not improve the inhibiting effect significantly. The next most readily identified role for Hg is the impact it has on accelerating NO production from nitrite ion. This reaction shifts the time that the ideal concentration of nitrite relative to Rh occurs, and consequently causes the most active nitro-Rh species to form sooner. The potential consequences of this shift in timing are expected to be a function of other factors such as amount of excess acid, Rh concentration, etc. Graphical data from the Rh-Ru-Hg study suggested that Hg might also be responsible for partially inhibiting Ru-catalysis initially, but that the inhibition was not sustained through the SRAT and SME cycles. Continued processing led to a subsequent increase in hydrogen generation that was often abrupt and that frequently more than doubled the hydrogen generation rate. This phenomenon may have been a function of the extent of Hg stripping versus the initial Ru concentration in these tests. Palladium is an active catalyst, and activates during (or prior to) nitrite destruction to promote N{sub 2}O formation followed by a very small amount of hydrogen. Pd then appears to deactivate. Data to date indicate that Pd should not be a species of primary concern relative to Rh and Ru for hydrogen generation. Pd was a very mild catalyst for hydrogen generation compared to Rh and Ru in the simulated waste system. Pd was comparable to Rh in enhancing N{sub 2}O production when present at equal concentration. Pd, however, is almost always present at less than a quarter of the Rh concentration in S

  2. Molecular catalytic coal liquid conversion. Quarterly report...

    Office of Scientific and Technical Information (OSTI)

    Coal liquids can be hydrogenated catalyzed by Catalyst 2 include monocyclic aromatic ... PROGRESS REPORT; ORGANOMETALLIC COMPOUNDS; EXPERIMENTAL DATA Word Cloud More Like ...

  3. Molecular catalytic coal liquid conversion. Quarterly report...

    Office of Scientific and Technical Information (OSTI)

    the hydrogenation of other unactivated aromatic hydrocarbons such as toluene, ... EXPERIMENTAL DATA; ORGANOMETALLIC COMPOUNDS; PH VALUE Word Cloud More Like This Full ...

  4. Molecular catalytic coal liquid conversion. Quarterly status...

    Office of Scientific and Technical Information (OSTI)

    With regards to Task 1, the mechanism of the hydrogenation of aromatic compounds catalyzed by 1,5-HDRhClsub 2buffer system in the presence of small amount of surfactant under ...

  5. Validation of Hydrogen Exchange Methodology on Molecular Sieves...

    Office of Environmental Management (EM)

    Validation of Hydrogen Exchange Methodology on Molecular Sieves for Tritium Removal from Contaminated Water Validation of Hydrogen Exchange Methodology on Molecular Sieves for...

  6. Genetics and Molecular Biology of Hydrogen Metabolism in Sulfate...

    Office of Scientific and Technical Information (OSTI)

    Genetics and Molecular Biology of Hydrogen Metabolism in Sulfate-Reducing Bacteria Citation Details In-Document Search Title: Genetics and Molecular Biology of Hydrogen Metabolism ...

  7. Catalytic two-stage coal hydrogenation process using extinction recycle of heavy liquid fraction

    DOE Patents [OSTI]

    MacArthur, J.B.; Comolli, A.G.; McLean, J.B.

    1989-10-17

    A process is described for catalytic two-stage hydrogenation and liquefaction of coal with selective extinction recycle of all heavy liquid fractions boiling above a distillation cut point of about 600--750 F to produce increased yields of low-boiling hydrocarbon liquid and gas products. In the process, the particulate coal feed is slurried with a process-derived liquid solvent normally boiling above about 650 F and fed into a first stage catalytic reaction zone operated at conditions which promote controlled rate liquefaction of the coal, while simultaneously hydrogenating the hydrocarbon recycle oils. The first stage reactor is maintained at 710--800 F temperature, 1,000--4,000 psig hydrogen partial pressure, and 10-90 lb/hr per ft[sup 3] catalyst space velocity. Partially hydrogenated material withdrawn from the first stage reaction zone is passed directly to the second stage catalytic reaction zone maintained at 760--860 F temperature for further hydrogenation and hydroconversion reactions. A 600--750 F[sup +] fraction containing 0--20 W % unreacted coal and ash solids is recycled to the coal slurrying step. If desired, the cut point lower boiling fraction can be further catalytically hydrotreated. By this process, the coal feed is successively catalytically hydrogenated and hydroconverted at selected conditions, to provide significantly increased yields of desirable low-boiling hydrocarbon liquid products and minimal production of hydrocarbon gases, and no net production of undesirable heavy oils and residuum materials. 2 figs.

  8. Catalytic two-stage coal hydrogenation process using extinction recycle of heavy liquid fraction

    DOE Patents [OSTI]

    MacArthur, James B.; Comolli, Alfred G.; McLean, Joseph B.

    1989-01-01

    A process for catalytic two-stage hydrogenation and liquefaction of coal with selective extinction recycle of all heavy liquid fractions boiling above a distillation cut point of about 600.degree.-750.degree. F. to produce increased yields of low-boiling hydrocarbon liquid and gas products. In the process, the particulate coal feed is slurried with a process-derived liquid solvent normally boiling above about 650.degree. F. and fed into a first stage catalytic reaction zone operated at conditions which promote controlled rate liquefaction of the coal, while simultaneously hydrogenating the hydrocarbon recycle oils. The first stage reactor is maintained at 710.degree.-800.degree. F. temperature, 1000-4000 psig hydrogen partial pressure, and 10-90 lb/hr per ft.sup.3 catalyst space velocity. Partially hydrogenated material withdrawn from the first stage reaction zone is passed directly to the second stage catalytic reaction zone maintained at 760.degree.-860.degree. F. temperature for further hydrogenation and hydroconversion reactions. A 600.degree.-750.degree. F..sup.+ fraction containing 0-20 W % unreacted coal and ash solids is recycled to the coal slurrying step. If desired, the cut point lower boiling fraction can be further catalytically hydrotreated. By this process, the coal feed is successively catalytically hydrogenated and hydroconverted at selected conditions, to provide significantly increased yields of desirable low-boiling hydrocarbon liquid products and minimal production of hydrocarbon gases, and no net production of undesirable heavy oils and residuum materials.

  9. Hydrogen transport diagnostics by atomic and molecular emission...

    Office of Scientific and Technical Information (OSTI)

    Hydrogen transport diagnostics by atomic and molecular emission line profiles simultaneously measured for large helical device Citation Details In-Document Search Title: Hydrogen ...

  10. 97e Intermediate Temperature Catalytic Reforming of Bio-Oil for Distributed Hydrogen Production

    SciTech Connect (OSTI)

    Marda, J. R.; Dean, A. M.; Czernik, S.; Evans, R. J.; French, R.; Ratcliff, M.

    2008-01-01

    With the world's energy demands rapidly increasing, it is necessary to look to sources other than fossil fuels, preferably those that minimize greenhouse emissions. One such renewable source of energy is biomass, which has the added advantage of being a near-term source of hydrogen. While there are several potential routes to produce hydrogen from biomass thermally, given the near-term technical barriers to hydrogen storage and delivery, distributed technologies such that hydrogen is produced at or near the point of use are attractive. One such route is to first produce bio-oil via fast pyrolysis of biomass close to its source to create a higher energy-density product, then ship this bio-oil to its point of use where it can be reformed to hydrogen and carbon dioxide. This route is especially well suited for smaller-scale reforming plants located at hydrogen distribution sites such as filling stations. There is also the potential for automated operation of the conversion system. A system has been developed for volatilizing bio-oil with manageable carbon deposits using ultrasonic atomization and by modifying bio-oil properties, such as viscosity, by blending or reacting bio-oil with methanol. Non-catalytic partial oxidation of bio-oil is then used to achieve significant conversion to CO with minimal aromatic hydrocarbon formation by keeping the temperature at 650 C or less and oxygen levels low. The non-catalytic reactions occur primarily in the gas phase. However, some nonvolatile components of bio-oil present as aerosols may react heterogeneously. The product gas is passed over a packed bed of precious metal catalyst where further reforming as well as water gas shift reactions are accomplished completing the conversion to hydrogen. The approach described above requires significantly lower catalyst loadings than conventional catalytic steam reforming due to the significant conversion in the non-catalytic step. The goal is to reform and selectively oxidize the bio-oil and catalyze the water gas shift reaction without catalyzing methanation or oxidation of CO and H{sub 2}, thus attaining equilibrium levels of H{sub 2}, CO, H{sub 2}O, and CO{sub 2} at the exit of the catalyst bed. Experimental Bio-oil (mixed with varied amounts of methanol to reduce the viscosity and homogenize the bio-oil) or selected bio-oil components are introduced at a measured flow rate through the top of a vertical quartz reactor which is heated using a five zone furnace. The ultrasonic nozzle used to feed the reactants allows the bio-oil to flow down the center of the reactor at a low, steady flow rate. Additionally, the fine mist created by the nozzle allows for intimate mixing with oxygen and efficient heat transfer, providing optimal conditions to achieve high conversion at relatively low temperatures in the non-catalytic step thus reducing the required catalyst loading. Generation of the fine mist is especially important for providing good contact between non-volatile bio-oil components and oxygen. Oxygen and helium are also delivered at the top of the reactor via mass flow meters with the amount of oxygen being varied to maximize the yields of H{sub 2} and CO and the amount of helium being adjusted such that the gas phase residence time in the hot zone is {approx}0.3 and {approx}0.45 s for bio-oil and methanol experiments, respectively. A catalyst bed can be located at the bottom of the reactor tube. To date, catalyst screening experiments have used Engelhard noble metal catalysts. The catalysts used for these experiments were 0.5 % rhodium, ruthenium, platinum, and palladium (all supported on alumina). Experiments were performed using pure alumina as well. Both the catalyst type and the effect of oxygen and steam on the residual hydrocarbons and accumulated carbon containing particulates were investigated. The residence time before the catalyst is varied to determine the importance of the non-catalytic step and its potential effect on the required catalyst loading. Non-catalytic experiments (primarily homogeneous cracking) use a bed of quartz placed to capture any deposits that are formed in the volatilization and cracking zones. The inner reactor effluent is quenched by a flow of 10 SLPM He which serves to sweep the products quickly ({approx}0.03 s) to a triple quadrupole molecular beam mass spectrometer (MBMS) for analysis. The MBMS serves as a universal detector and allows for real time data collection. The study of pyrolysis by MBMS has been described previously. The dilution of the reactor effluent reduces the potential problems caused by matrix effects associated with the MBMS analysis. Argon is used as an internal standard in the quantitative analysis of all the major products (CO, CO{sub 2}, H{sub 2}, H{sub 2}O, and benzene) as well as any residual carbon, which is determined by subsequent oxidation of carbon (monitored as CO{sub 2}) after shutting off the feed and maintaining the oxygen/helium flow.

  11. Selective Catalytic Oxidation of Hydrogen Sulfide on Activated Carbons Impregnated with Sodium Hydroxide

    SciTech Connect (OSTI)

    Schwartz, Viviane [ORNL; Baskova, Svetlana [ORNL; Armstrong, Timothy R. [ORNL

    2009-01-01

    Two activated carbons of different origin were impregnated with the solution of sodium hydroxide (NaOH) of various concentrations up to 10 wt %, and the effect of impregnation on the catalytic performance of the carbons was evaluated. The catalytic activity was analyzed in terms of the capacity of carbons for hydrogen sulfide (H2S) conversion and removal from hydrogen-rich fuel streams and the emission times of H2S and the products of its oxidation [e.g., sulfur dioxide (SO2) and carbonyl sulfide (COS)]. The results of impregnation showed a significant improvement in the catalytic activity of both carbons proportional to the amount of NaOH introduced. NaOH introduces hydroxyl groups (OH-) on the surface of the activated carbon that increase its surface reactivity and its interaction with sulfur-containing compounds.

  12. Method of generating hydrogen by catalytic decomposition of water

    DOE Patents [OSTI]

    Balachandran, Uthamalingam (Hinsdale, IL); Dorris, Stephen E. (LaGrange Park, IL); Bose, Arun C. (Pittsburgh, PA); Stiegel, Gary J. (Library, PA); Lee, Tae-Hyun (Naperville, IL)

    2002-01-01

    A method for producing hydrogen includes providing a feed stream comprising water; contacting at least one proton conducting membrane adapted to interact with the feed stream; splitting the water into hydrogen and oxygen at a predetermined temperature; and separating the hydrogen from the oxygen. Preferably the proton conducting membrane comprises a proton conductor and a second phase material. Preferable proton conductors suitable for use in a proton conducting membrane include a lanthanide element, a Group VIA element and a Group IA or Group IIA element such as barium, strontium, or combinations of these elements. More preferred proton conductors include yttrium. Preferable second phase materials include platinum, palladium, nickel, cobalt, chromium, manganese, vanadium, silver, gold, copper, rhodium, ruthenium, niobium, zirconium, tantalum, and combinations of these. More preferably second phase materials suitable for use in a proton conducting membrane include nickel, palladium, and combinations of these. The method for generating hydrogen is preferably preformed in the range between about 600.degree. C. and 1,700.degree. C.

  13. Catalytic Hydrogenation of Bio-Oil for Chemicals and Fuels

    SciTech Connect (OSTI)

    Elliott, Douglas C.

    2006-02-14

    The scope of work includes optimizing processing conditions and demonstrating catalyst lifetime for catalyst formulations that are readily scaleable to commercial operations. We use a bench-scale, continuous-flow, packed-bed, catalytic, tubular reactor, which can be operated in the range of 100-400 mL/hr., from 50-400 C and up to 20MPa (see Figure 1). With this unit we produce upgraded bio-oil from whole bio-oil or useful bio-oil fractions, specifically pyrolytic lignin. The product oils are fractionated, for example by distillation, for recovery of chemical product streams. Other products from our tests have been used in further testing in petroleum refining technology at UOP and fractionation for product recovery in our own lab. Further scale-up of the technology is envisioned and we will carry out or support process design efforts with industrial partners, such as UOP.

  14. Short residence time coal liquefaction process including catalytic hydrogenation

    DOE Patents [OSTI]

    Anderson, R.P.; Schmalzer, D.K.; Wright, C.H.

    1982-05-18

    Normally solid dissolved coal product and a distillate liquid product are produced by continuously passing a feed slurry comprising raw feed coal and a recycle solvent oil and/or slurry together with hydrogen to a preheating-reaction zone, the hydrogen pressure in the preheating-reaction zone being at least 1,500 psig (105 kg/cm[sup 2]), reacting the slurry in the preheating-reaction zone at a temperature in the range of between about 455 and about 500 C to dissolve the coal to form normally liquid coal and normally solid dissolved coal. A total slurry residence time is maintained in the reaction zone ranging from a finite value from about 0 to about 0.2 hour, and reaction effluent is continuously and directly contacted with a quenching fluid to substantially immediately reduce the temperature of the reaction effluent to below 425 C to substantially inhibit polymerization so that the yield of insoluble organic matter comprises less than 9 weight percent of said feed coal on a moisture-free basis. The reaction is performed under conditions of temperature, hydrogen pressure and residence time such that the quantity of distillate liquid boiling within the range C[sub 5]-454 C is an amount at least equal to that obtainable by performing the process under the same condition except for a longer total slurry residence time, e.g., 0.3 hour. Solvent boiling range liquid is separated from the reaction effluent and recycled as process solvent. The amount of solvent boiling range liquid is sufficient to provide at least 80 weight percent of that required to maintain the process in overall solvent balance. 6 figs.

  15. Short residence time coal liquefaction process including catalytic hydrogenation

    DOE Patents [OSTI]

    Anderson, Raymond P.; Schmalzer, David K.; Wright, Charles H.

    1982-05-18

    Normally solid dissolved coal product and a distillate liquid product are produced by continuously passing a feed slurry comprising raw feed coal and a recycle solvent oil and/or slurry together with hydrogen to a preheating-reaction zone (26, alone, or 26 together with 42), the hydrogen pressure in the preheating-reaction zone being at least 1500 psig (105 kg/cm.sup.2), reacting the slurry in the preheating-reaction zone (26, or 26 with 42) at a temperature in the range of between about 455.degree. and about 500.degree. C. to dissolve the coal to form normally liquid coal and normally solid dissolved coal. A total slurry residence time is maintained in the reaction zone ranging from a finite value from about 0 to about 0.2 hour, and reaction effluent is continuously and directly contacted with a quenching fluid (40, 68) to substantially immediately reduce the temperature of the reaction effluent to below 425.degree. C. to substantially inhibit polymerization so that the yield of insoluble organic matter comprises less than 9 weight percent of said feed coal on a moisture-free basis. The reaction is performed under conditions of temperature, hydrogen pressure and residence time such that the quantity of distillate liquid boiling within the range C.sub.5 -454.degree. C. is an amount at least equal to that obtainable by performing the process under the same condition except for a longer total slurry residence time, e.g., 0.3 hour. Solvent boiling range liquid is separated from the reaction effluent (83) and recycled as process solvent (16). The amount of solvent boiling range liquid is sufficient to provide at least 80 weight percent of that required to maintain the process in overall solvent balance.

  16. Formic Acid Free Flowsheet Development To Eliminate Catalytic Hydrogen Generation In The Defense Waste Processing

    SciTech Connect (OSTI)

    Lambert, Dan P.; Stone, Michael E.; Newell, J. David; Fellinger, Terri L.; Bricker, Jonathan M.

    2012-09-14

    The Defense Waste Processing Facility (DWPF) processes legacy nuclear waste generated at the Savannah River Site (SRS) during production of plutonium and tritium demanded by the Cold War. The nuclear waste is first treated via a complex sequence of controlled chemical reactions and then vitrified into a borosilicate glass form and poured into stainless steel canisters. Converting the nuclear waste into borosilicate glass canisters is a safe, effective way to reduce the volume of the waste and stabilize the radionuclides. Testing was initiated to determine whether the elimination of formic acid from the DWPF's chemical processing flowsheet would eliminate catalytic hydrogen generation. Historically, hydrogen is generated in chemical processing of alkaline High Level Waste sludge in DWPF. In current processing, sludge is combined with nitric and formic acid to neutralize the waste, reduce mercury and manganese, destroy nitrite, and modify (thin) the slurry rheology. The noble metal catalyzed formic acid decomposition produces hydrogen and carbon dioxide. Elimination of formic acid by replacement with glycolic acid has the potential to eliminate the production of catalytic hydrogen. Flowsheet testing was performed to develop the nitric-glycolic acid flowsheet as an alternative to the nitric-formic flowsheet currently being processed at the DWPF. This new flowsheet has shown that mercury can be reduced and removed by steam stripping in DWPF with no catalytic hydrogen generation. All processing objectives were also met, including greatly reducing the Slurry Mix Evaporator (SME) product yield stress as compared to the baseline nitric/formic flowsheet. Ten DWPF tests were performed with nonradioactive simulants designed to cover a broad compositional range. No hydrogen was generated in testing without formic acid.

  17. Catalytic igniters and their use to ignite lean hydrogen-air mixtures

    DOE Patents [OSTI]

    McLean, William J.; Thorne, Lawrence R.; Volponi, Joanne V.

    1988-01-01

    A catalytic igniter which can ignite a hydrogen-air mixture as lean as 5.5% hydrogen with induction times ranging from 20 s to 400 s, under conditions which may be present during a loss-of-liquid-coolant accident at a light water nuclear reactor comprises (a) a perforate catalytically active substrate, such as a platinum coated ceramic honeycomb or wire mesh screen, through which heated gases produced by oxidation of the mixture can freely flow and (b) a plurality of thin platinum wires mounted in a thermally conductive manner on the substrate and positioned thereon so as to be able to receive heat from the substrate and the heated gases while also in contact with unoxidized gases.

  18. Ruthenium on rutile catalyst, catalytic system, and method for aqueous phase hydrogenations

    DOE Patents [OSTI]

    Elliot, Douglas C.; Werpy, Todd A.; Wang, Yong; Frye, Jr., John G.

    2001-01-01

    An essentially nickel- and rhenium-free catalyst is described comprising ruthenium on a titania support where the titania is greater than 75% rutile. A catalytic system containing a nickel-free catalyst comprising ruthenium on a titania support where the titania is greater than 75% rutile, and a method using this catalyst in the hydrogenation of an organic compound in the aqueous phase is also described.

  19. Elimination Of Catalytic Hydrogen Generation In Defense Waste Processing Facility Slurries

    SciTech Connect (OSTI)

    Koopman, D. C.

    2013-01-22

    Based on lab-scale simulations of Defense Waste Processing Facility (DWPF) slurry chemistry, the addition of sodium nitrite and sodium hydroxide to waste slurries at concentrations sufficient to take the aqueous phase into the alkaline region (pH > 7) with approximately 500 mg nitrite ion/kg slurry (assuming <25 wt% total solids, or equivalently 2,000 mg nitrite/kg total solids) is sufficient to effectively deactivate the noble metal catalysts at temperatures between room temperature and boiling. This is a potential strategy for eliminating catalytic hydrogen generation from the list of concerns for sludge carried over into the DWPF Slurry Mix Evaporator Condensate Tank (SMECT) or Recycle Collection Tank (RCT). These conclusions are drawn in large part from the various phases of the DWPF catalytic hydrogen generation program conducted between 2005 and 2009. The findings could apply to various situations, including a solids carry-over from either the Sludge Receipt and Adjustment Tank (SRAT) or Slurry Mix Evaporator (SME) into the SMECT with subsequent transfer to the RCT, as well as a spill of formic acid into the sump system and transfer into an RCT that already contains sludge solids. There are other potential mitigating factors for the SMECT and RCT, since these vessels are typically operated at temperatures close to the minimum temperatures that catalytic hydrogen has been observed to occur in either the SRAT or SME (pure slurry case), and these vessels are also likely to be considerably more dilute in both noble metals and formate ion (the two essential components to catalytic hydrogen generation) than the two primary process vessels. Rhodium certainly, and ruthenium likely, are present as metal-ligand complexes that are favored under certain concentrations of the surrounding species. Therefore, in the SMECT or RCT, where a small volume of SRAT or SME material would be significantly diluted, conditions would be less optimal for forming or sustaining the catalytic ligand species. Such conditions are likely to adversely impact the ability of the transferred mass to produce hydrogen at the same rate (per unit mass SRAT or SME slurry) as in the SRAT or SME vessels.

  20. Upgrading heavy oils by non-catalytic treatment with hydrogen and hydrogen transfer solvent

    SciTech Connect (OSTI)

    Derbyshire, F.J.; Mitchell, T.O.; Whitehurst, D.D.

    1981-09-29

    Heavy liquid hydrocarbon oil, such as petroleum derived tars, predominantly boiling over 425/sup 0/C, are upgraded to products boiling below 425/sup 0/C, without substantial formation of insoluble char, by heating the heavy oil with hydrogen and a hydrogen transfer solvent in the absence of hydrogenation catalyst at temperatures of about 320/sup 0/C to 500/sup 0/C, and a pressure of 20 to 180 bar for 3 to 30 minutes. The hydrogen transfer solvents polycyclic compounds free of carbonyl groups, e.g., pyrene, and have a polarographic reduction potential which is less negative than phenanthrene and equal to or more negative than azapyrene.

  1. Catalytic conversion of hydrocarbons to hydrogen and high-value carbon

    DOE Patents [OSTI]

    Shah, Naresh; Panjala, Devadas; Huffman, Gerald P.

    2005-04-05

    The present invention provides novel catalysts for accomplishing catalytic decomposition of undiluted light hydrocarbons to a hydrogen product, and methods for preparing such catalysts. In one aspect, a method is provided for preparing a catalyst by admixing an aqueous solution of an iron salt, at least one additional catalyst metal salt, and a suitable oxide substrate support, and precipitating metal oxyhydroxides onto the substrate support. An incipient wetness method, comprising addition of aqueous solutions of metal salts to a dry oxide substrate support, extruding the resulting paste to pellet form, and calcining the pellets in air is also discloses. In yet another aspect, a process is provided for producing hydrogen from an undiluted light hydrocarbon reactant, comprising contacting the hydrocarbon reactant with a catalyst as described above in a reactor, and recovering a substantially carbon monoxide-free hydrogen product stream. In still yet another aspect, a process is provided for catalytic decomposition of an undiluted light hydrocarbon reactant to obtain hydrogen and a valuable multi-walled carbon nanotube coproduct.

  2. Catalytic process for control of NO.sub.x emissions using hydrogen

    DOE Patents [OSTI]

    Sobolevskiy, Anatoly; Rossin, Joseph A.; Knapke, Michael J.

    2010-05-18

    A selective catalytic reduction process with a palladium catalyst for reducing NOx in a gas, using hydrogen as a reducing agent. A zirconium sulfate (ZrO.sub.2)SO.sub.4 catalyst support material with about 0.01-2.0 wt. % Pd is applied to a catalytic bed positioned in a flow of exhaust gas at about 70-200.degree. C. The support material may be (ZrO.sub.2--SiO.sub.2)SO.sub.4. H.sub.2O and hydrogen may be injected into the exhaust gas upstream of the catalyst to a concentration of about 15-23 vol. % H.sub.2O and a molar ratio for H.sub.2/NO.sub.x in the range of 10-100. A hydrogen-containing fuel may be synthesized in an Integrated Gasification Combined Cycle power plant for combustion in a gas turbine to produce the exhaust gas flow. A portion of the fuel may be diverted for the hydrogen injection.

  3. Thermal and catalytic upgrading of extra heavy crude oil using methane as a source of hydrogen

    SciTech Connect (OSTI)

    Ovalles, C.; Hamana, A.; Bolivar, R.A.

    1995-12-31

    The upgrading of Orinoco-belt extra-heavy crude oil by reaction with methane as a source of hydrogen was studied under thermal and catalytic conditions. The reactions were carried out in a 300-mL batch reactor at 380{degrees}C, 1600 psi of final pressure for a 4-h period. An alumina supported molybdenum-nickel catalyst was used and activated in situ using carbon disulfide at 350{degrees}C and 100 psi of hydrogen for 2 h. In the presence of an alumina supported molybdenum-nickel catalyst, higher percentage of desulfurization (28%) and lower percentage of asphaltenes (9.3%) were found than those found in the absence of the catalysts (11% and 11.8%, respectively). These results indicate that methane is, most probably, activated by the metal catalyst via oxidative addition producing hydrogen and methyl groups adsorbed on the surface. Finally, the observed relative order of reactivity for the thermal and catalytic upgrading of Hamaca crude oil is: H{sub 2} {>=} CH{sub 4} > N{sub 2}.

  4. Review of Catalytic Hydrogen Generation in the Defense Waste Processing Facility (DWPF) Chemical Processing Cell

    SciTech Connect (OSTI)

    Koopman, D. C.

    2004-12-31

    This report was prepared to fulfill the Phase I deliverable for HLW/DWPF/TTR-98-0018, Rev. 2, ''Hydrogen Generation in the DWPF Chemical Processing Cell'', 6/4/2001. The primary objective for the preliminary phase of the hydrogen generation study was to complete a review of past data on hydrogen generation and to prepare a summary of the findings. The understanding was that the focus should be on catalytic hydrogen generation, not on hydrogen generation by radiolysis. The secondary objective was to develop scope for follow-up experimental and analytical work. The majority of this report provides a summary of past hydrogen generation work with radioactive and simulated Savannah River Site (SRS) waste sludges. The report also includes some work done with Hanford waste sludges and simulants. The review extends to idealized systems containing no sludge, such as solutions of sodium formate and formic acid doped with a noble metal catalyst. This includes general information from the literature, as well as the focused study done by the University of Georgia for the SRS. The various studies had a number of points of universal agreement. For example, noble metals, such as Pd, Rh, and Ru, catalyze hydrogen generation from formic acid and formate ions, and more acid leads to more hydrogen generation. There were also some points of disagreement between different sources on a few topics such as the impact of mercury on the noble metal catalysts and the identity of the most active catalyst species. Finally, there were some issues of potential interest to SRS that apparently have not been systematically studied, e.g. the role of nitrite ion in catalyst activation and reactivity. The review includes studies covering the period from about 1924-2002, or from before the discovery of hydrogen generation during simulant sludge processing in 1988 through the Shielded Cells qualification testing for Sludge Batch 2. The review of prior studies is followed by a discussion of proposed experimental work, additional data analysis, and future modeling programs. These proposals have led to recent investigations into the mercury issue and the effect of co-precipitating noble metals which will be documented in two separate reports. SRS hydrogen generation work since 2002 will also be collected and summarized in a future report on the effect of noble metal-sludge matrix interactions on hydrogen generation. Other potential factors for experimental investigation include sludge composition variations related to both the washing process and to the insoluble species with particular attention given to the role of silver and to improving the understanding of the interaction of nitrite ion with the noble metals.

  5. Vibrationally excited molecular hydrogen near Herschel 36

    SciTech Connect (OSTI)

    Rachford, Brian L. [Department of Physics, Embry-Riddle Aeronautical University, 3700 Willow Creek Road, Prescott, AZ 86301-3720 (United States); Snow, Theodore P. [Center for Astrophysics and Space Astronomy, Department of Astrophysical and Planetary Sciences, University of Colorado, Boulder, CO 80309-0389 (United States); Ross, Teresa L., E-mail: rachf7ac@erau.edu [Department of Astronomy, New Mexico State University, Las Cruces, NM 88003-8001 (United States)

    2014-05-10

    We present the first high resolution UV spectra toward Herschel 36, a Trapezium-like system of high-mass stars contained within the Lagoon Nebula (M8, NGC 6523). The spectra reveal extreme rovibrational excitation of molecular hydrogen in material at a single velocity or very small range of velocities, with this component presumably lying near the star system and undergoing fluorescent excitation. The overall H{sub 2} excitation is similar to, but apparently larger than, that seen toward HD 37903 which previously showed the largest vibrationally excited H{sub 2} column densities seen in UV absorption spectra. While the velocities of the highly excited H{sub 2} lines are consistent within each observation, it appears that they underwent a ?60 km s{sup 1} redshift during the 3.6 yr between observations. In neither case does the velocity of the highly excited material match the velocity of the bulk of the line-of-sight material which appears to mostly be in the foreground of M8. Recent work shows unusually excited CH and CH{sup +} lines and several unusually broad diffuse interstellar bands toward Herschel 36. Along with the H{sub 2} excitation, all of these findings appear to be related to the extreme environment within ?0.1 pc of the massive young stellar system.

  6. CATALYTIC INTERACTIONS OF RHODIUM, RUTHENIUM, AND MERCURY DURING SIMULATED DWPF CPC PROCESSING WITH HYDROGEN GENERATION

    SciTech Connect (OSTI)

    Koopman, D

    2008-10-09

    Simulations of the Defense Waste Processing Facility (DWPF) Chemical Processing Cell (CPC) vessels were performed as part of the ongoing investigation into catalytic hydrogen generation. Rhodium, ruthenium, and mercury have been identified as the principal elemental factors affecting the peak hydrogen generation rate in the DWPF Sludge Receipt and Adjustment Tank (SRAT) for a given acid addition. The primary goal of this study is to identify any significant interactions between the three factors. Noble metal concentrations were similar to recent sludge batches. Rh ranged from 0.0026-0.013% and Ru ranged from 0.010-0.050% in the dried sludge solids, while initial Hg ranged from 0.5-2.5 wt%. An experimental matrix was developed to ensure that the existence of statistically significant two-way interactions could be determined without confounding of the main effects with the two-way interaction effects. The nominal matrix design consisted of twelve SRAT cycles. Testing included: a three factor (Rh, Ru, and Hg) study at two levels per factor (eight runs), two duplicate midpoint runs, and two additional replicate runs to assess reproducibility away from the midpoint. Midpoint testing can identify potential quadratic effects from the three factors. A single sludge simulant was used for all tests. Acid addition was kept effectively constant except to compensate for variations in the starting mercury concentration. Six Slurry Mix Evaporator (SME) cycles were performed to supplement the SME hydrogen generation database. Some of the preliminary findings from this study include: (1) Rh was linked to the maximum SRAT hydrogen generation rate in the first two hours after acid addition in preliminary statistical modeling. (2) Ru was linked conclusively to the maximum SRAT hydrogen generation rate in the last four hours of reflux in preliminary statistical modeling. (3) Increasing the ratio of Hg/Rh shifted the noble metal controlling the maximum SRAT hydrogen generation rate from Rh to Ru when Ru was at its fission yield ratio to Rh. (4) The inhibiting effect of Hg on hydrogen generation apparently does not require much mercury in terms of moles Hg/mole Rh (or Ru). Once the initial impact is realized, the benefit of additional Hg in reducing the hydrogen generation rate was minimal. Sludge Batch 3 and 4 simulant test data confirm this. (5) Low Hg runs do not necessarily bound high Hg runs for the maximum hydrogen generation rate over the full SRAT-SME cycle. Two of the four Rh-Ru combinations had a cross-over point where the hydrogen generation rate in high Hg run went from always lower to always higher than in the low Hg run. One cross-over was in the SRAT and one was in the SME. Maximum hydrogen generation rates in the high Hg runs could exceed the maximum hydrogen generation rates from the low Hg runs. (6) SME cycle hydrogen generation rates during the first decon canister dewatering period were similar to the rates at the end of the SRAT reflux period. (7) Corrosion of 400 series stainless steel shafts significantly impacted the hydrogen generation rate in two runs. (8) Preliminary data analysis indicates that several additional SRAT runs are needed to replace suspect data in the original set of twelve runs. A more detailed statistical evaluation is expected to occur once replacement run data from several additional SRAT runs has been obtained.

  7. SPITZER INFRARED SPECTROGRAPH DETECTION OF MOLECULAR HYDROGEN ROTATIONAL

    Office of Scientific and Technical Information (OSTI)

    EMISSION TOWARDS TRANSLUCENT CLOUDS (Journal Article) | SciTech Connect SPITZER INFRARED SPECTROGRAPH DETECTION OF MOLECULAR HYDROGEN ROTATIONAL EMISSION TOWARDS TRANSLUCENT CLOUDS Citation Details In-Document Search Title: SPITZER INFRARED SPECTROGRAPH DETECTION OF MOLECULAR HYDROGEN ROTATIONAL EMISSION TOWARDS TRANSLUCENT CLOUDS Using the Infrared Spectrograph on board the Spitzer Space Telescope, we have detected emission in the S(0), S(1), and S(2) pure-rotational (v = 0-0) transitions

  8. Reduction of nitrogen oxides with catalytic acid resistant aluminosilicate molecular sieves and ammonia

    DOE Patents [OSTI]

    Pence, Dallas T.; Thomas, Thomas R.

    1980-01-01

    Noxious nitrogen oxides in a waste gas stream such as the stack gas from a fossil-fuel-fired power generation plant or other industrial plant off-gas stream is catalytically reduced to elemental nitrogen and/or innocuous nitrogen oxides employing ammonia as reductant in the presence of a zeolite catalyst in the hydrogen or sodium form having pore openings of about 3 to 10 A.

  9. Catalytic ionic hydrogenation of ketones using tungsten or molybdenum catalysts with increased lifetimes

    DOE Patents [OSTI]

    Bullock, R. Morris; Kimmich, Barbara F. M.; Fagan, Paul J.; Hauptman, Elisabeth

    2003-09-02

    The present invention is a process for the catalytic hydrogenation of ketones and aldehydes to alcohols at low temperatures and pressures using organometallic molybdenum and tungsten complexes and the catalyst used in the process. The reactants include a functional group which is selected from groups represented by the formulas R*(C.dbd.O)R' and R*(C.dbd.O)H, wherein R* and R' are selected from hydrogen or any alkyl or aryl group. The process includes reacting the organic compound in the presence of hydrogen and a catalyst to form a reaction mixture. The catalyst is prepared by reacting Ph.sub.3 C.sup.+ A.sup.- with a metal hydride. A.sup.- represents an anion and can be BF.sub.4.sup.-, PF.sub.6.sup.-, CF.sub.3 SO.sub.3.sup.- or Bar'.sub.4.sup.-, wherein Ar'=3,5-bis(trifluoromethyl)phenyl. The metal hydride is represented by the formula: HM(CO).sub.2 [.eta..sup.5 :.eta..sup.1 --C.sub.5 H.sub.4 (XH.sub.2).sub.n PR.sub.2 ] wherein M represents a molybdenum (Mo) atom or a tungsten (W) atom; X is a carbon atom, a silicon atom or a combination of carbon (C) and silicon (Si) atoms; n is any positive integer; R represents two hydrocarbon groups selected from H, an aryl group and an alkyl group, wherein both R groups can be the same or different. The metal hydride is reacted with Ph.sub.3 C.sup.+ A.sup.- either before reacting with the organic compound or in the reaction mixture.

  10. Molecular beam-thermal hydrogen desorption from palladium

    SciTech Connect (OSTI)

    Lobo, R. F. M.; Berardo, F. M. V.; Ribeiro, J. H. F.

    2010-04-15

    Among the most efficient techniques for hydrogen desorption monitoring, thermal desorption mass spectrometry is a very sensitive one, but in certain cases can give rise to uptake misleading results due to residual hydrogen partial pressure background variations. In this work one develops a novel thermal desorption variant based on the effusive molecular beam technique that represents a significant improvement in the accurate determination of hydrogen mass absorbed on a solid sample. The enhancement in the signal-to-noise ratio for trace hydrogen is on the order of 20%, and no previous calibration with a chemical standard is required. The kinetic information obtained from the hydrogen desorption mass spectra (at a constant heating rate of 1 deg. C/min) accounts for the consistency of the technique.

  11. Catalytic ionic hydrogenation of ketones using tungsten or molybdenum organometallic species

    DOE Patents [OSTI]

    Voges, Mark; Bullock, R. Morris

    2000-01-01

    The present invention is a process for the catalytic hydrogenation of ketones and aldehydes to alcohols at low temperatures and pressures using organometallic molybdenum and tungsten complexes. The functional group is selected from groups represented by the formulas R(C.dbd.O)R' and R(C.dbd.O)H, wherein R and R' are selected from hydrogen or any alkyl or aryl group. The active catalyst for the process has the form: [CpM(CO).sub.2 (PR*.sub.3) L].sup.+ A.sup.-, where Cp=.eta..sup.5 -R.sup..tangle-solidup..sub.m C.sub.5 H.sub.5-m and R.sup..tangle-solidup. represents an alkyl group or a halogen (F, Cl, Br, I) or R.sup..tangle-solidup. =OR' (where R'=H, an alkyl group or an aryl group) or R.sup..tangle-solidup. =CO.sub.2 R' (where R'=H, an alkyl group or an aryl group) and m=0 to 5; M represents a molybdenum atom or a tungsten atom; R*.sub.3 represents three hydrocarbon groups selected from a cyclohexyl group (C.sub.6 H.sub.11), a methyl group (CH.sub.3), and a phenyl group (C.sub.6 H.sub.5) and all three R* groups can be the same or different or two of the three groups can be the same; L represents a ligand; and A.sup.- represents an anion. In another embodiment, one, two or three of the R* groups can be an OR*.

  12. On the protonation states, hydrogen bonding and catalytic mechanism of family 11 glycosidases: Direct visualization with neutrons

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

    Fisher, Suzanne Zoe; Graham, David E.; Hanson, Leif; Kovalevskyi, Andrii Y.; Langan, Paul; Parks, Jerry M.; Wan, Qun; Ostermann, Andreas; Schrader, Tobias

    2015-10-06

    Most enzymatic reactions involve hydrogen or proton transfer among the enzyme, substrate, and water at physiological pH. Thus, enzyme catalysis cannot be fully understood without accurate mapping of hydrogen atom positions in these macromolecular catalysts. Direct information on the location of hydrogen atoms can be obtained using neutron crystallography. We used neutron crystallography and biomolecular simulation to characterize the initial stage of the glycoside hydrolysis reaction catalyzed by a family 11 glycoside hydrolase. We provide evidence that the catalytic glutamate residue alternates between two conformations bearing different basicities, first to obtain a proton from the bulk solvent, and then tomore » deliver it to the glycosidic oxygen to initiate the hydrolysis reaction.« less

  13. Molecular dynamics simulations of hydrogen diffusion in aluminum

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

    Zhou, X. W.; El Gabaly, F.; Stavila, V.; Allendorf, M. D.

    2016-03-23

    In this study, hydrogen diffusion impacts the performance of solid-state hydrogen storage materials and contributes to the embrittlement of structural materials under hydrogen-containing environments. In atomistic simulations, the diffusion energy barriers are usually calculated using molecular statics simulations where a nudged elastic band method is used to constrain a path connecting the two end points of an atomic jump. This approach requires prior knowledge of the “end points”. For alloy and defective systems, the number of possible atomic jumps with respect to local atomic configurations is tremendous. Even when these jumps can be exhaustively studied, it is still unclear howmore » they can be combined to give an overall diffusion behavior seen in experiments. Here we describe the use of molecular dynamics simulations to determine the overall diffusion energy barrier from the Arrhenius equation. This method does not require information about atomic jumps, and it has additional advantages, such as the ability to incorporate finite temperature effects and to determine the pre-exponential factor. As a test case for a generic method, we focus on hydrogen diffusion in bulk aluminum. We find that the challenge of this method is the statistical variation of the results. However, highly converged energy barriers can be achieved by an appropriate set of temperatures, output time intervals (for tracking hydrogen positions), and a long total simulation time. Our results help elucidate the inconsistencies of the experimental diffusion data published in the literature. The robust approach developed here may also open up future molecular dynamics simulations to rapidly study diffusion properties of complex material systems in multidimensional spaces involving composition and defects.« less

  14. Production of hydrogen, liquid fuels, and chemicals from catalytic processing of bio-oils

    SciTech Connect (OSTI)

    Huber, George W; Vispute, Tushar P; Routray, Kamalakanta

    2014-06-03

    Disclosed herein is a method of generating hydrogen from a bio-oil, comprising hydrogenating a water-soluble fraction of the bio-oil with hydrogen in the presence of a hydrogenation catalyst, and reforming the water-soluble fraction by aqueous-phase reforming in the presence of a reforming catalyst, wherein hydrogen is generated by the reforming, and the amount of hydrogen generated is greater than that consumed by the hydrogenating. The method can further comprise hydrocracking or hydrotreating a lignin fraction of the bio-oil with hydrogen in the presence of a hydrocracking catalyst wherein the lignin fraction of bio-oil is obtained as a water-insoluble fraction from aqueous extraction of bio-oil. The hydrogen used in the hydrogenating and in the hydrocracking or hydrotreating can be generated by reforming the water-soluble fraction of bio-oil.

  15. Design Molecular Recognition Materials for Chiral Sensors, Separtations and Catalytic Materials

    SciTech Connect (OSTI)

    Jia, S.; Nenoff, T.M.; Provencio, P.; Qiu, Y.; Shelnutt, J.A.; Thoma, S.G.; Zhang, J.

    1998-11-01

    The goal is the development of materials that are highly sensitive and selective for chid chemicals and biochemical (such as insecticides, herbicides, proteins, and nerve agents) to be used as sensors, catalysts and separations membranes. Molecular modeling methods are being used to tailor chiral molecular recognition sites with high affinity and selectivity for specified agents. The work focuses on both silicate and non-silicate materials modified with chirally-pure fictional groups for the catalysis or separations of enantiomerically-pure molecules. Surfactant and quaternary amine templating is being used to synthesize porous frameworks, containing mesopores of 30 to 100 angstroms. Computer molecukw modeling methods are being used in the design of these materials, especially in the chid surface- modi~ing agents. Molecular modeling is also being used to predict the catalytic and separations selectivities of the modified mesoporous materials. The ability to design and synthesize tailored asymmetric molecular recognition sites for sensor coatings allows a broader range of chemicals to be sensed with the desired high sensitivity and selectivity. Initial experiments target the selective sensing of small molecule gases and non-toxic model neural compounds. Further efforts will address designing sensors that greatly extend the variety of resolvable chemical species and forming a predictive, model-based method for developing advanced sensors.

  16. Catalytic hydrogenation of HyperCoal (ashless coal) and reusability of catalyst

    SciTech Connect (OSTI)

    Koji Koyano; Toshimasa Takanohashi; Ikuo Saito

    2009-07-15

    HyperCoal (HPC) is ashless coal obtained by a mild thermal extraction of coal to remove unextractable, heavy compounds, and minerals. The temperature and duration of HPC hydrogenation was systematically varied with and without solvent in an autoclave under hydrogen pressure. Unlike raw coal, hydrogenation of HPC in the absence of solvent proceeded without coke formation when the reaction was performed for 60 min at 450{sup o}C in 10 MPa hydrogen (initial pressure). The hydrogenation catalyst was recycled five times with no detection of deactivation. Longer reactions at slightly higher temperatures (120 min at 460{sup o}C), with replenishing the hydrogen, afforded a 90 wt % oil (hexane-soluble fraction) yield. 27 refs., 8 figs., 2 tabs.

  17. Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4

    Broader source: Energy.gov [DOE]

    A presentation about how hydrogen can be reversibly absorbed and desorbed from NaAlH4 under moderate conditions by the addition of catalysts.

  18. Final Technical Report "Catalytic Hydrogenation of Carbon Monoxide and Olefin Oxidation" Grant number : DE-FG02-86ER13615

    SciTech Connect (OSTI)

    Wayland, B.B.

    2009-08-31

    Title: Catalytic Hydrogenation of Carbon Monoxide and Olefin Oxidation Grant No. DE-FG02-86ER13615 PI: Wayland, B. B. (wayland@sas.upenn.edu) Abstract Development of new mechanistic strategies and catalyst materials for activation of CO, H2, CH4, C2H4, O2, and related substrates relevant to the conversion of carbon monoxide, alkanes, and alkenes to organic oxygenates are central objectives encompassed by this program. Design and synthesis of metal complexes that manifest reactivity patterns associated with potential pathways for the hydrogenation of carbon monoxide through metallo-formyl (M-CHO), dimetal ketone (M-C(O)-M), and dimetal dionyl (M-C(O)-C(O)-M) species is one major focus. Hydrocarbon oxidation using molecular oxygen is a central goal for methane activation and functionalization as well as regioselective oxidation of olefins. Discovery of new reactivity patterns and control of selectivity are pursued through designing new metal complexes and adjusting reaction conditions. Variation of reaction media promotes distinct reaction pathways that control both reaction rates and selectivities. Dimetalloradical diporphyrin complexes preorganize transition states for substrate reactions that involve two metal centers and manifest large rate increases over mono-metalloradical reactions of hydrogen, methane, and other small molecule substrates. Another broad goal and recurring theme of this program is to contribute to the thermodynamic database for a wide scope of organo-metal transformations in a range of reaction media. One of the most complete descriptions of equilibrium thermodynamics for organometallic reactions in water and methanol is emerging from the study of rhodium porphyrin substrate reactions in aqueous and alcoholic media. Water soluble group nine metalloporphyrins manifest remarkably versatile substrate reactivity in aqueous and alcoholic media which includes producing rhodium formyl (Rh-CHO) and hydroxy methyl (Rh-CH2OH) species. Exploratory directions for this program include expending new strategies for anti-Markovnikov addition of water, alcohols, and amines with olefins, developing catalytic reactions of CO to give formamides and formic esters, and evaluating the potential for coupling reactions of CO to produce organic building blocks.

  19. Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(? H)}+

    SciTech Connect (OSTI)

    Fagan, Paul J.; Voges, Mark H.; Bullock, R. Morris

    2010-02-22

    {[Cp*Ru(CO)2]2(? H)}+OTf functions as a homogeneous catalyst precursor for hydrogenation of ketones to alcohols, with hydrogenations at 1 mol % catalyst loading at 90 C under H2 (820 psi) proceeding to completion and providing >90% yields. Hydrogenation of methyl levulinate generates ?-valerolactone, presumably by ring-closing of the initially formed alcohol with the methyl ester. Experiments in neat Et2C=O show that the catalyst loading can be <0.1 mole %, and that at least 1200 turnovers of the catalyst can be obtained. These reactions are proposed to proceed by an ionic hydrogenation pathway, with the highly acidic dihydrogen complex [Cp*Ru(CO)2(?2-H2)]+OTf- being formed under the reaction conditions from reaction of H2 with {[Cp*Ru(CO)2]2(? H)}+OTf .

  20. Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(-H)}+

    SciTech Connect (OSTI)

    Bullock, R.M.; Fagan, P.J.; Voges, M.H.

    2010-02-22

    {l_brace}[Cp*Ru(CO){sub 2}]{sub 2}({mu}-H){r_brace}{sup +}OTf{sup -} functions as a homogeneous catalyst precursor for hydrogenation of ketones to alcohols, with hydrogenations at 1 mol % catalyst loading at 90 C under H{sub 2} (820 psi) proceeding to completion and providing >90% yields. Hydrogenation of methyl levulinate generates {gamma}-valerolactone, presumably by ring-closing of the initially formed alcohol with the methyl ester. Experiments in neat Et{sub 2}C=O show that the catalyst loading can be <0.1 mol % and that at least 1200 turnovers of the catalyst can be obtained. These reactions are proposed to proceed by an ionic hydrogenation pathway, with the highly acidic dihydrogen complex [Cp*Ru(CO){sub 2}({eta}{sup 2}-H{sub 2})]{sup +}OTf{sup -} being formed under the reaction conditions from reaction of H2 with {l_brace}[Cp*Ru(CO){sub 2}]{sub 2}({mu}-H){r_brace}{sup +}OTf{sup -}.

  1. Sub-10 nm Platinum Nanocrystals with Size and Shape Control: Catalytic Study for Ethylene and Pyrrole Hydrogenation

    SciTech Connect (OSTI)

    Tsung, Chia-Kuang; Kuhn, John N.; Huang, Wenyu; Aliaga, Cesar; Hung, Ling-I; Somorjai, Gabor A.; Yang, Peidong

    2009-03-02

    Platinum nanocubes and nanopolyhedra with tunable size from 5 to 9 nm were synthesized by controlling the reducing rate of metal precursor ions in a one-pot polyol synthesis. A two-stage process is proposed for the simultaneous control of size and shape. In the first stage, the oxidation state of the metal ion precursors determined the nucleation rate and consequently the number of nuclei. The reaction temperature controlled the shape in the second stage by regulation of the growth kinetics. These well-defined nanocrystals were loaded into MCF-17 mesoporous silica for examination of catalytic properties. Pt loadings and dispersions of the supported catalysts were determined by elemental analysis (ICP-MS) and H2 chemisorption isotherms, respectively. Ethylene hydrogenation rates over the Pt nanocrystals were independent of both size and shape and comparable to Pt single crystals. For pyrrole hydrogenation, the nanocubes enhanced ring-opening ability and thus showed a higher selectivity to n-butylamine as compared to nanopolyhedra.

  2. Dendrimer Templated Synthesis of One Nanometer Rh and Pt Particles Supported on Mesoporous Silica: Catalytic Activity for Ethylene and Pyrrole Hydrogenation.

    SciTech Connect (OSTI)

    Huang, Wenyu; Kuhn, John N.; Tsung, Chia-Kuang; Zhang, Yawen; Habas, Susan E.; Yang, Peidong; Somorjai, Gabor A.

    2008-05-09

    Monodisperse rhodium (Rh) and platinum (Pt) nanoparticles as small as {approx}1 nm were synthesized within a fourth generation polyaminoamide (PAMAM) dendrimer, a hyperbranched polymer, in aqueous solution and immobilized by depositing onto a high-surface-area SBA-15 mesoporous support. X-ray photoelectron spectroscopy indicated that the as-synthesized Rh and Pt nanoparticles were mostly oxidized. Catalytic activity of the SBA-15 supported Rh and Pt nanoparticles was studied with ethylene hydrogenation at 273 and 293 K in 10 torr of ethylene and 100 torr of H{sub 2} after reduction (76 torr of H{sub 2} mixed with 690 torr of He) at different temperatures. Catalysts were active without removing the dendrimer capping but reached their highest activity after hydrogen reduction at a moderate temperature (423 K). When treated at a higher temperature (473, 573, and 673 K) in hydrogen, catalytic activity decreased. By using the same treatment that led to maximum ethylene hydrogenation activity, catalytic activity was also evaluated for pyrrole hydrogenation.

  3. Electroless preparation and characterization of Ni-B nanoparticles supported on multi-walled carbon nanotubes and their catalytic activity towards hydrogenation of styrene

    SciTech Connect (OSTI)

    Liu, Zheng; Li, Zhilin; Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 ; Wang, Feng; Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 ; Liu, Jingjun; Ji, Jing; Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 ; Park, Ki Chul; Endo, Morinobu

    2012-02-15

    Graphical abstract: The MWCNT/Ni-B catalyst has been successfully prepared by an electroless deposition process. The Ni-B nanoparticles on the supporter are amorphous and are well-distributed. The catalytic conversion towards hydrogenation of styrene shows excellent catalytic activity of the obtained materials. Highlights: Black-Right-Pointing-Pointer A two-step treatment of MWCNTs enabled the homogeneous growth of Ni-B nanoparticles. Black-Right-Pointing-Pointer Ni-B nanoparticles were amorphous with an average size of 60 nm. Black-Right-Pointing-Pointer There were electron transfer between Ni and B. Black-Right-Pointing-Pointer The catalyst had excellent catalytic activity towards hydrogenation of styrene. -- Abstract: Nickel-boron (Ni-B) nanoparticles supported on multi-walled carbon nanotubes (MWCNTs) were successfully synthesized through an electroless deposition process using the plating bath with sodium borohydride as a reducing agent. The structural and morphological analyses using field-emission scanning electron microscopy, X-ray diffractometry and high-resolution transmission electron microscopy have shown that the Ni-B nanoparticles deposited on the sidewalls of MWCNTs are fine spheres comprised of amorphous structure with the morphologically unique fine-structure like flowers, and homogenously dispersed with a narrow particle size distribution centered at around 60 nm diameter. The catalytic activity of MWCNT/Ni-B nanoparticles was evaluated with respect to hydrogenation of styrene. The hydrogenation catalyzed by MWCNT-supported Ni-B nanoparticles has been found to make styrene selectively converted into ethylbenzene. The highest conversion reaches 99.8% under proper reaction conditions, which demonstrates the high catalytic activity of MWCNT/Ni-B nanoparticles.

  4. Molecular beam mass spectrometer equipped with a catalytic wall reactor for in situ studies in high temperature catalysis research

    SciTech Connect (OSTI)

    Horn, R.; Ihmann, K.; Ihmann, J.; Jentoft, F.C.; Geske, M.; Taha, A.; Pelzer, K.; Schloegl, R.

    2006-05-15

    A newly developed apparatus combining a molecular beam mass spectrometer and a catalytic wall reactor is described. The setup has been developed for in situ studies of high temperature catalytic reactions (>1000 deg. C), which involve besides surface reactions also gas phase reactions in their mechanism. The goal is to identify gas phase radicals by threshold ionization. A tubular reactor, made from the catalytic material, is positioned in a vacuum chamber. Expansion of the gas through a 100 {mu}m sampling orifice in the reactor wall into differentially pumped nozzle, skimmer, and collimator chambers leads to the formation of a molecular beam. A quadrupole mass spectrometer with electron impact ion source designed for molecular beam inlet and threshold ionization measurements is used as the analyzer. The sampling time from nozzle to detector is estimated to be less than 10 ms. A detection time resolution of up to 20 ms can be reached. The temperature of the reactor is measured by pyrometry. Besides a detailed description of the setup components and the physical background of the method, this article presents measurements showing the performance of the apparatus. After deriving the shape and width of the energy spread of the ionizing electrons from measurements on N{sub 2} and He we estimated the detection limit in threshold ionization measurements using binary mixtures of CO in N{sub 2} to be in the range of several hundreds of ppm. Mass spectra and threshold ionization measurements recorded during catalytic partial oxidation of methane at 1250 deg. C on a Pt catalyst are presented. The detection of CH{sub 3}{center_dot} radicals is successfully demonstrated.

  5. ON MOLECULAR HYDROGEN FORMATION AND THE MAGNETOHYDROSTATIC EQUILIBRIUM OF SUNSPOTS

    SciTech Connect (OSTI)

    Jaeggli, S. A.; Lin, H.; Uitenbroek, H.

    2012-02-01

    We have investigated the problem of sunspot magnetohydrostatic equilibrium with comprehensive IR sunspot magnetic field survey observations of the highly sensitive Fe I lines at 15650 A and nearby OH lines. We have found that some sunspots show isothermal increases in umbral magnetic field strength which cannot be explained by the simplified sunspot model with a single-component ideal gas atmosphere assumed in previous investigations. Large sunspots universally display nonlinear increases in magnetic pressure over temperature, while small sunspots and pores display linear behavior. The formation of molecules provides a mechanism for isothermal concentration of the umbral magnetic field, and we propose that this may explain the observed rapid increase in umbral magnetic field strength relative to temperature. Existing multi-component sunspot atmospheric models predict that a significant amount of molecular hydrogen (H{sub 2}) exists in the sunspot umbra. The formation of H{sub 2} can significantly alter the thermodynamic properties of the sunspot atmosphere and may play a significant role in sunspot evolution. In addition to the survey observations, we have performed detailed chemical equilibrium calculations with full consideration of radiative transfer effects to establish OH as a proxy for H{sub 2}, and demonstrate that a significant population of H{sub 2} exists in the coolest regions of large sunspots.

  6. Catalytic cracking process

    DOE Patents [OSTI]

    Lokhandwala, Kaaeid A.; Baker, Richard W.

    2001-01-01

    Processes and apparatus for providing improved catalytic cracking, specifically improved recovery of olefins, LPG or hydrogen from catalytic crackers. The improvement is achieved by passing part of the wet gas stream across membranes selective in favor of light hydrocarbons over hydrogen.

  7. Controllable pneumatic generator based on the catalytic decomposition of hydrogen peroxide

    SciTech Connect (OSTI)

    Kim, Kyung-Rok; Kim, Kyung-Soo Kim, Soohyun

    2014-07-15

    This paper presents a novel compact and controllable pneumatic generator that uses hydrogen peroxide decomposition. A fuel micro-injector using a piston-pump mechanism is devised and tested to control the chemical decomposition rate. By controlling the injection rate, the feedback controller maintains the pressure of the gas reservoir at a desired pressure level. Thermodynamic analysis and experiments are performed to demonstrate the feasibility of the proposed pneumatic generator. Using a prototype of the pneumatic generator, it takes 6 s to reach 3.5 bars with a reservoir volume of 200 ml at the room temperature, which is sufficiently rapid and effective to maintain the repetitive lifting of a 1 kg mass.

  8. Carbon Molecular Sieve Membrane as a True One Box Unit for Large Scale Hydrogen Production

    SciTech Connect (OSTI)

    Paul Liu

    2012-05-01

    IGCC coal-fired power plants show promise for environmentally-benign power generation. In these plants coal is gasified to syngas then processed in a water gas-shift (WGS) reactor to maximize the hydrogen/CO{sub 2} content. The gas stream can then be separated into a hydrogen rich stream for power generation and/or further purified for sale as a chemical and a CO{sub 2} rich stream for the purpose of carbon capture and storage (CCS). Today, the separation is accomplished using conventional absorption/desorption processes with post CO{sub 2} compression. However, significant process complexity and energy penalties accrue with this approach, accounting for ~20% of the capital cost and ~27% parasitic energy consumption. Ideally, a “one-box” process is preferred in which the syngas is fed directly to the WGS reactor without gas pre-treatment, converting the CO to hydrogen in the presence of H{sub 2}S and other impurities and delivering a clean hydrogen product for power generation or other uses. The development of such a process is the primary goal of this project. Our proposed "one-box" process includes a catalytic membrane reactor (MR) that makes use of a hydrogen-selective, carbon molecular sieve (CMS) membrane, and a sulfur-tolerant Co/Mo/Al{sub 2}O{sub 3} catalyst. The membrane reactor’s behavior has been investigated with a bench top unit for different experimental conditions and compared with the modeling results. The model is used to further investigate the design features of the proposed process. CO conversion >99% and hydrogen recovery >90% are feasible under the operating pressures available from IGCC. More importantly, the CMS membrane has demonstrated excellent selectivity for hydrogen over H{sub 2}S (>100), and shown no flux loss in the presence of a synthetic "tar"-like material, i.e., naphthalene. In summary, the proposed "one-box" process has been successfully demonstrated with the bench-top reactor. In parallel we have successfully designed and fabricated a full-scale CMS membrane and module for the proposed application. This full-scale membrane element is a 3" diameter with 30"L, composed of ~85 single CMS membrane tubes. The membrane tubes and bundles have demonstrated satisfactory thermal, hydrothermal, thermal cycling and chemical stabilities under an environment simulating the temperature, pressure and contaminant levels encountered in our proposed process. More importantly, the membrane module packed with the CMS bundle was tested for over 30 pressure cycles between ambient pressure and >300 -600 psi at 200 to 300°C without mechanical degradation. Finally, internal baffles have been designed and installed to improve flow distribution within the module, which delivered ≥90% separation efficiency in comparison with the efficiency achieved with single membrane tubes. In summary, the full-scale CMS membrane element and module have been successfully developed and tested satisfactorily for our proposed one-box application; a test quantity of elements/modules have been fabricated for field testing. Multiple field tests have been performed under this project at National Carbon Capture Center (NCCC). The separation efficiency and performance stability of our full-scale membrane elements have been verified in testing conducted for times ranging from 100 to >250 hours of continuous exposure to coal/biomass gasifier off-gas for hydrogen enrichment with no gas pre-treatment for contaminants removal. In particular, "tar-like" contaminants were effectively rejected by the membrane with no evidence of fouling. In addition, testing was conducted using a hybrid membrane system, i.e., the CMS membrane in conjunction with the palladium membrane, to demonstrate that 99+% H{sub 2} purity and a high degree of CO{sub 2} capture could be achieved. In summary, the stability and performance of the full-scale hydrogen selective CMS membrane/module has been verified in multiple field tests in the presence of coal/biomass gasifier off-gas under this project. A promising process scheme has been developed for power generation and/or hydrogen coproduction with CCS based upon our proposed "one-box" process. Our preliminary economic analysis indicates about 10% reduction in the required electricity selling price and ~40% cost reduction in CCS on per ton CO{sub 2} can be achieved in comparison with the base case involving conventional WGS with a two-stage Selexsol® for CCS. Long term field tests (e.g., >1,000 hrs) with the incorporation of the catalyst for the WGS membrane reactor and more in-depth analysis of the process scheme are recommended for the future study.

  9. A Molecular Copper Catalyst for Hydrogenation of CO­2 to Formate

    SciTech Connect (OSTI)

    Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.

    2015-09-04

    There is widespread interest in the hydrogenation of CO2 to energy-rich products such as formate. However, first-row transition metal complexes that catalyze the hydrogenation of CO2 to formate remain rare. Copper phosphine complexes are widely used in the reduction of organic substrates but have not previously been used as catalysts for the conversion of H2 and CO2 to formate. Here we demonstrate that the triphosphine-ligated copper(I) complex LCu(MeCN)PF6 is an active catalyst for CO2 hydrogenation in the presence of a suitable base. Screening of bases and studies of catalytic reactions by in operando spectroscopy revealed important and unusual roles for the base in promoting H2 activation and turnover.

  10. Molecular cobalt pentapyridine catalysts for generating hydrogen from water

    DOE Patents [OSTI]

    Long, Jeffrey R; Chang, Christopher J; Sun, Yujie

    2013-11-05

    A composition of matter suitable for the generation of hydrogen from water is described, the positively charged cation of the composition including the moiety of the general formula. [(PY5Me.sub.2)CoL].sup.2+, where L can be H.sub.2O, OH.sup.-, a halide, alcohol, ether, amine, and the like. In embodiments of the invention, water, such as tap water or sea water can be subject to low electric potentials, with the result being, among other things, the generation of hydrogen.

  11. Hydrogen uptake causes molecular "avalanches" in palladium | Argonne

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

    National Laboratory Hydrogen uptake causes molecular "avalanches" in palladium By Jared Sagoff * January 26, 2016 Tweet EmailPrint Imagine a sponge that could soak up a thousand times its own volume in water. Now imagine how effective that sponge would be if it could store hydrogen instead of water, giving researchers an alternative to compressed air cylinders for storing the gas. Palladium, a precious metal closely related to platinum, is that sponge. Unlike any other element, it

  12. Molecular metal-Oxo catalysts for generating hydrogen from water

    DOE Patents [OSTI]

    Long, Jeffrey R; Chang, Christopher J; Karunadasa, Hemamala I

    2015-02-24

    A composition of matter suitable for the generation of hydrogen from water is described, the positively charged cation of the composition having the general formula [(PY5W.sub.2)MO].sup.2+, wherein PY5W.sub.2 is (NC.sub.5XYZ)(NC.sub.5H.sub.4).sub.4C.sub.2W.sub.2, M is a transition metal, and W, X, Y, and Z can be H, R, a halide, CF.sub.3, or SiR.sub.3, where R can be an alkyl or aryl group. The two accompanying counter anions, in one embodiment, can be selected from the following Cl.sup.-, I.sup.-, PF.sub.6.sup.-, and CF.sub.3SO.sub.3.sup.-. In embodiments of the invention, water, such as tap water containing electrolyte or straight sea water can be subject to an electric potential of between 1.0 V and 1.4 V relative to the standard hydrogen electrode, which at pH 7 corresponds to an overpotential of 0.6 to 1.0 V, with the result being, among other things, the generation of hydrogen with an optimal turnover frequency of ca. 1.5 million mol H.sub.2/mol catalyst per h.

  13. Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110)

    SciTech Connect (OSTI)

    Chen, Long; Li, Zhenjun; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek

    2014-04-16

    Understanding hydrogen formation on TiO2 surfaces is of great importance as it could provide fundamental insight into water splitting for hydrogen production using solar energy. In this work, hydrogen formation from glycols having different numbers of methyl end-groups have been studied using temperature pro-grammed desorption on reduced, hydroxylated, and oxidized TiO2(110) surfaces. The results from OD-labeled glycols demon-strate that gas-phase molecular hydrogen originates exclusively from glycol hydroxyl groups. The yield is controlled by a combi-nation of glycol coverage, steric hindrance, TiO2(110) order and the amount of subsurface charge. Combined, these results show that proximal pairs of hydroxyl aligned glycol molecules and subsurface charge are required to maximize the yield of this redox reaction. These findings highlight the importance of geometric and electronic effects in hydrogen formation from adsorbates on TiO2(110).

  14. Bioinspired Molecular Co-Catalysts Bonded to a Silicon Photocathode for Solar Hydrogen Evolution

    SciTech Connect (OSTI)

    Hou, Yidong

    2011-11-08

    The production of fuels from sunlight represents one of the main challenges in the development of a sustainable energy system. Hydrogen is the simplest fuel to produce and although platinum and other noble metals are efficient catalysts for photoelectrochemical hydrogen evolution earth-abundant alternatives are needed for large-scale use. We show that bioinspired molecular clusters based on molybdenum and sulphur evolve hydrogen at rates comparable to that of platinum. The incomplete cubane-like clusters (Mo{sub 3}S{sub 4}) efficiently catalyse the evolution of hydrogen when coupled to a p-type Si semiconductor that harvests red photons in the solar spectrum. The current densities at the reversible potential match the requirement of a photoelectrochemical hydrogen production system with a solar-to-hydrogen efficiency in excess of 10% (ref. 16). The experimental observations are supported by density functional theory calculations of the Mo{sub 3}S{sub 4} clusters adsorbed on the hydrogen-terminated Si(100) surface, providing insights into the nature of the active site.

  15. Line overlap and self-shielding of molecular hydrogen in galaxies

    SciTech Connect (OSTI)

    Gnedin, Nickolay Y.; Draine, Bruce T. E-mail: andrey@oddjob.uchicago.edu

    2014-11-01

    The effect of line overlap in the Lyman and Werner bands, often ignored in galactic studies of the atomic-to-molecular transition, greatly enhances molecular hydrogen self-shielding in low metallicity environments and dominates over dust shielding for metallicities below about 10% solar. We implement that effect in cosmological hydrodynamics simulations with an empirical model, calibrated against the observational data, and provide fitting formulae for the molecular hydrogen fraction as a function of gas density on various spatial scales and in environments with varied dust abundance and interstellar radiation field. We find that line overlap, while important for detailed radiative transfer in the Lyman and Werner bands, has only a minor effect on star formation on galactic scales, which, to a much larger degree, is regulated by stellar feedback.

  16. Molecular dynamics of a dilute solution of hydrogen in palladium

    SciTech Connect (OSTI)

    Pratt, L. R.; Eckert, J.

    1989-06-15

    Molecular-dynamics results on a dilute solution of H in Pd are presentedand compared with available incoherent inelastic neutron-scattering results.The embedded-atom model adopted here does a good job of describing the H-Pdatomic forces probed by incoherent inelastic neutron scattering. The timecorrelation functions associated with the computed spectra are strongly dampedand indicative of the anharmonicity that has been suggested as the principalcontribution to the anomalous isotope dependence of the superconductingtransition temperature in PdH. These results highlight the fact that the H-atomvibrations in Pd-H solutions are low-frequency, large-amplitude vibrationsrelative to vibrations of H atoms in usual covalent interactions. The rmsdisplacement of the H atom from its mean position in the center of the Pdoctahedron compares favorably with the available neutron-diffraction results.

  17. Catalytic hydrotreating process

    DOE Patents [OSTI]

    Karr, Jr., Clarence; McCaskill, Kenneth B.

    1978-01-01

    Carbonaceous liquids boiling above about 300.degree. C such as tars, petroleum residuals, shale oils and coal-derived liquids are catalytically hydrotreated by introducing the carbonaceous liquid into a reaction zone at a temperature in the range of 300.degree. to 450.degree. C and a pressure in the range of 300 to 4000 psig for effecting contact between the carbonaceous liquid and a catalytic transition metal sulfide in the reaction zone as a layer on a hydrogen permeable transition metal substrate and then introducing hydrogen into the reaction zone by diffusing the hydrogen through the substrate to effect the hydrogenation of the carbonaceous liquid in the presence of the catalytic sulfide layer.

  18. Hydrogen and methoxy coadsorption in the computation of the catalytic conversion of methanol on the ceria (111) surface

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

    Beste, Ariana; Steven H. Overbury

    2015-12-23

    Methanol decomposition to formaldehyde catalyzed by the ceria (111) surface has been investigated using the DFT + U method. Our results rationalize experimental temperature programmed desorption experiments on the fully oxidized surface. Particular attention has been paid to the model correctness of methoxy with coadsorbed hydrogen on the surface. This issue has been raised by the experimental observation of water desorption at low temperature removing hydrogen from the system. Our investigation also includes hydrogen diffusion as a means of hydrogen removal. We find that the presence of methoxy reduces the reaction energy for water formation considerably. In addition, the preferencemore » of the electron to locate at the methoxy oxygen results in a dehydrated surface that does not contain Ce3+ ions, despite the existence of a vacancy.« less

  19. Hydrogen and methoxy coadsorption in the computation of the catalytic conversion of methanol on the ceria (111) surface

    SciTech Connect (OSTI)

    Beste, Ariana; Steven H. Overbury

    2015-12-23

    Methanol decomposition to formaldehyde catalyzed by the ceria (111) surface has been investigated using the DFT + U method. Our results rationalize experimental temperature programmed desorption experiments on the fully oxidized surface. Particular attention has been paid to the model correctness of methoxy with coadsorbed hydrogen on the surface. This issue has been raised by the experimental observation of water desorption at low temperature removing hydrogen from the system. Our investigation also includes hydrogen diffusion as a means of hydrogen removal. We find that the presence of methoxy reduces the reaction energy for water formation considerably. In addition, the preference of the electron to locate at the methoxy oxygen results in a dehydrated surface that does not contain Ce3+ ions, despite the existence of a vacancy.

  20. Evaluation of RTV as a Moldable Matrix When Combined With Molecular Sieve and Organic Hydrogen Getter

    SciTech Connect (OSTI)

    Knight, J. A.

    2011-12-01

    This work was undertaken in an effort to develop a combined RTV 615/3 molecular sieve/DEB molded component. A molded RTV 615/3? molecular sieve component is currently in production, and an RTV 615/DEB component was produced in the past. However, all three materials have never before been combined in a single production part, and this is an opportunity to create a new component capable of being molded to shape, performing desiccation, and hydrogen gettering. This analysis looked at weapons system parameters and how they might influence part design. It also looked at material processing and how it related to mixing, activating a dessicant, and hydrogen uptake testing.

  1. A molecular dynamics study of nuclear quantum effect on the diffusion of hydrogen in condensed phase

    SciTech Connect (OSTI)

    Nagashima, Hiroki; Tokumasu, Takashi; Tsuda, Shin-ichi; Tsuboi, Nobuyuki; Koshi, Mitsuo; Hayashie, A. Koichi

    2014-10-06

    In this paper, the quantum effect of hydrogen molecule on its diffusivity is analyzed using Molecular Dynamics (MD) method. The path integral centroid MD (CMD) method is applied for the reproduction method of time evolution of the molecules. The diffusion coefficient of liquid hydrogen is calculated using the Green-Kubo method. The simulation is performed at wide temperature region and the temperature dependence of the quantum effect of hydrogen molecule is addressed. The calculation results are compared with those of classical MD results. As a result, it is confirmed that the diffusivity of hydrogen molecule is changed depending on temperature by the quantum effect. It is clarified that this result can be explained that the dominant factor by quantum effect on the diffusivity of hydrogen changes from the swollening the potential to the shallowing the potential well around 30 K. Moreover, it is found that this tendency is related to the temperature dependency of the ratio of the quantum kinetic energy and classical kinetic energy.

  2. hydrogen

    National Nuclear Security Administration (NNSA)

    3%2A en Cheaper catalyst may lower fuel costs for hydrogen-powered cars http:www.nnsa.energy.govblogcheaper-catalyst-may-lower-fuel-costs-hydrogen-powered-cars

  3. hydrogen

    National Nuclear Security Administration (NNSA)

    3%2A en Cheaper catalyst may lower fuel costs for hydrogen-powered cars http:nnsa.energy.govblogcheaper-catalyst-may-lower-fuel-costs-hydrogen-powered-cars

  4. The formation of molecular hydrogen on silicate dust analogs: The rotational distribution

    SciTech Connect (OSTI)

    Gavilan, L.; Lemaire, J. L.; Vidali, G.; Sabri, T.; Jger, C.

    2014-02-01

    Our laboratory experiments continue to explore how the formation of molecular hydrogen is influenced by dust and how dust thereby affects hydrogen molecules adsorbed on its surface. In Sabri et al., we present the preparation of nanometer-sized silicate grain analogs via laser ablation. These analogs illustrate extremes in structure (fully crystalline or fully amorphous grains), and stoichiometry (the forsterite and fayalite end-members of the olivine family). These were inserted in FORMOLISM, an ultra-high vacuum setup where they can be cooled down to ?5 K. Atomic beams are directed at these surfaces and the formation of new molecules is studied via REMPI(2+1) spectroscopy. We explored the rotational distribution (0 ? J'' ? 5) of v'' = 0 of the ground electronic state of H{sub 2}. The results of these measurements are reported here. Surprisingly, molecules formed and ejected from crystalline silicates have a cold (T {sub rot} ? 120 K) rotational energy distribution, while for molecules formed on and ejected from amorphous silicate films, the rotational temperature is ?310 K. These results are compared to previous experiments on metallic surfaces and theoretical simulations. Solid-state surface analysis suggests that flatter grains could hinder the 'cartwheel' rotation mode. A search for hot hydrogen, predicted as a result of H{sub 2} formation, hints at its production. For the first time, the rotational distribution of hydrogen molecules formed on silicate dust is reported. These results are essential to understanding the chemistry of astrophysical media containing bare dust grains.

  5. Molecular molybdenum persulfide and related catalysts for generating hydrogen from water

    DOE Patents [OSTI]

    Long, Jeffrey R.; Chang, Christopher J.; Karunadasa, Hemamala I.; Majda, Marcin

    2016-04-19

    New metal persulfido compositions of matter are described. In one embodiment the metal is molybdenum and the metal persulfido complex mimics the structure and function of the triangular active edge site fragments of MoS.sub.2, a material that is the current industry standard for petroleum hydro desulfurization, as well as a promising low-cost alternative to platinum for electrocatalytic hydrogen production. This molecular [(PY5W.sub.2)MoS.sub.2].sup.x+ containing catalyst is capable of generating hydrogen from acidic-buffered water or even seawater at very low overpotentials at a turnover frequency rate in excess of 500 moles H.sub.2 per mole catalyst per second, with a turnover number (over a 20 hour period) of at least 19,000,000 moles H.sub.2 per mole of catalyst.

  6. Catalytic coal liquefaction process

    DOE Patents [OSTI]

    Garg, D.; Sunder, S.

    1986-12-02

    An improved process for catalytic solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a solvent comprises using as catalyst a mixture of a 1,2- or 1,4-quinone and an alkaline compound, selected from ammonium, alkali metal, and alkaline earth metal oxides, hydroxides or salts of weak acids. 1 fig.

  7. Catalytic coal liquefaction process

    DOE Patents [OSTI]

    Garg, Diwakar (Macungie, PA); Sunder, Swaminathan (Allentown, PA)

    1986-01-01

    An improved process for catalytic solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a solvent comprises using as catalyst a mixture of a 1,2- or 1,4-quinone and an alkaline compound, selected from ammonium, alkali metal, and alkaline earth metal oxides, hydroxides or salts of weak acids.

  8. Theoretical Design of Molecular Electrocatalysts with Flexible Pendant Amines for Hydrogen Production and Oxidation

    SciTech Connect (OSTI)

    Fernandez, Laura; Horvath, Samantha; Hammes-Schiffer, Sharon

    2013-02-07

    The design of hydrogen oxidation and production catalysts is important for the development of alternative renewable energy sources. The overall objective is to maximize the turnover frequency and minimize the overpotential. In an effort to assist in the design of such catalysts, we use computational methods to examine a variety of nickel-based molecular electrocatalysts with pendant amines. Our studies focus on the proton-coupled electron transfer (PCET) process involving electron transfer between the complex and the electrode and intramolecular proton transfer between the nickel center and the nitrogen of the pendant amine. The concerted PCET mechanism, which tends to require a lower overpotential, is favored by a smaller equilibrium Ni-N distance and a more flexible pendant amine ligand, thereby decreasing the energetic penalty for the nitrogen to approach the nickel center for proton transfer. These calculations provide design principles that will be useful for developing the next generation of hydrogen catalysts. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

  9. THE RELATION BETWEEN MID-PLANE PRESSURE AND MOLECULAR HYDROGEN IN GALAXIES: ENVIRONMENTAL DEPENDENCE

    SciTech Connect (OSTI)

    Feldmann, Robert; Hernandez, Jose; Gnedin, Nickolay Y.

    2012-12-20

    Molecular hydrogen (H{sub 2}) is the primary component of the reservoirs of cold, dense gas that fuel star formation in our Galaxy. While the H{sub 2} abundance is ultimately regulated by physical processes operating on small scales in the interstellar medium (ISM), observations have revealed a tight correlation between the ratio of molecular to atomic hydrogen in nearby spiral galaxies and the pressure in the mid-plane of their disks. This empirical relation has been used to predict H{sub 2} abundances in galaxies with potentially very different ISM conditions, such as metal-deficient galaxies at high redshifts. Here, we test the validity of this approach by studying the dependence of the pressure-H{sub 2} relation on environmental parameters of the ISM. To this end, we follow the formation and destruction of H{sub 2} explicitly in a suite of hydrodynamical simulations of galaxies with different ISM parameters. We find that a pressure-H{sub 2} relation arises naturally in our simulations for a variety of dust-to-gas ratios or strengths of the interstellar radiation field in the ISM. Fixing the dust-to-gas ratio and the UV radiation field to values measured in the solar neighborhood results in fair agreement with the relation observed in nearby galaxies with roughly solar metallicity. However, the parameters (slope and normalization) of the pressure-H{sub 2} relation vary in a systematical way with ISM properties. A particularly strong trend is the decrease of the normalization of the relation with a lowering of the dust-to-gas ratio of the ISM. We show how this trend and other properties of the pressure-H{sub 2} relation arise from the atomic-to-molecular phase transition in the ISM caused by a combination of H{sub 2} formation, destruction, and shielding mechanisms.

  10. Hydrogen purification system

    DOE Patents [OSTI]

    Golben, Peter Mark

    2010-06-15

    The present invention provides a system to purify hydrogen involving the use of a hydride compressor and catalytic converters combined with a process controller.

  11. Discovery of Novel Complex Metal Hydrides for Hydrogen Storage through Molecular Modeling and Combinatorial Methods

    SciTech Connect (OSTI)

    Lesch, David A; Adriaan Sachtler, J.W. J.; Low, John J; Jensen, Craig M; Ozolins, Vidvuds; Siegel, Don

    2011-02-14

    UOP LLC, a Honeywell Company, Ford Motor Company, and Striatus, Inc., collaborated with Professor Craig Jensen of the University of Hawaii and Professor Vidvuds Ozolins of University of California, Los Angeles on a multi-year cost-shared program to discover novel complex metal hydrides for hydrogen storage. This innovative program combined sophisticated molecular modeling with high throughput combinatorial experiments to maximize the probability of identifying commercially relevant, economical hydrogen storage materials with broad application. A set of tools was developed to pursue the medium throughput (MT) and high throughput (HT) combinatorial exploratory investigation of novel complex metal hydrides for hydrogen storage. The assay programs consisted of monitoring hydrogen evolution as a function of temperature. This project also incorporated theoretical methods to help select candidate materials families for testing. The Virtual High Throughput Screening served as a virtual laboratory, calculating structures and their properties. First Principles calculations were applied to various systems to examine hydrogen storage reaction pathways and the associated thermodynamics. The experimental program began with the validation of the MT assay tool with NaAlH4/0.02 mole Ti, the state of the art hydrogen storage system given by decomposition of sodium alanate to sodium hydride, aluminum metal, and hydrogen. Once certified, a combinatorial 21-point study of the NaAlH4 ?? LiAlH4 ??Mg(AlH4)2 phase diagram was investigated with the MT assay. Stability proved to be a problem as many of the materials decomposed during synthesis, altering the expected assay results. This resulted in repeating the entire experiment with a mild milling approach, which only temporarily increased capacity. NaAlH4 was the best performer in both studies and no new mixed alanates were observed, a result consistent with the VHTS. Powder XRD suggested that the reverse reaction, the regeneration of the alanate from alkali hydride, Al and hydrogen, was hampering reversibility. The reverse reaction was then studied for the same phase diagram, starting with LiH, NaH, and MgH2, and Al. The study was extended to phase diagrams including KH and CaH2 as well. The observed hydrogen storage capacity in the Al hexahydrides was less than 4 wt. %, well short of DOE targets. The HT assay came on line and after certification with studies on NaAlH4, was first applied to the LiNH2 - LiBH4 - MgH2 phase diagram. The 60-point study elucidated trends within the system locating an optimum material of 0.6 LiNH2 ?? 0.3 MgH2 ?? 0.1 LiBH4 that stored about 4 wt. % H2 reversibly and operated below 220 °C. Also present was the phase Li4(NH2)3BH4, which had been discovered in the LiNH2 -LiBH4 system. This new ternary formulation performed much better than the well-known 2 LiNH2 ?? MgH2 system by 50 °C in the HT assay. The Li4(NH2)3BH4 is a low melting ionic liquid under our test conditions and facilitates the phase transformations required in the hydrogen storage reaction, which no longer relies on a higher energy solid state reaction pathway. Further study showed that the 0.6 LiNH2 ?? 0.3 MgH2 ?? 0.1 LiBH4 formulation was very stable with respect to ammonia and diborane desorption, the observed desorption was from hydrogen. This result could not have been anticipated and was made possible by the efficiency of HT combinatorial methods. Investigation of the analogous LiNH2 ?? LiBH4 ?? CaH2 phase diagram revealed new reversible hydrogen storage materials 0.625 LiBH4 + 0.375 CaH2 and 0.375 LiNH2 + 0.25 LiBH4 + 0.375 CaH2 operating at 1 wt. % reversible hydrogen below 175 °C. Powder x-ray diffraction revealed a new structure for the spent materials which had not been previously observed. While the storage capacity was not impressive, an important aspect is that it boron appears to participate in a low temperature reversible reaction. The last major area of study also focused

  12. WARM MOLECULAR HYDROGEN EMISSION IN NORMAL EDGE-ON GALAXIES NGC 4565 AND NGC 5907

    SciTech Connect (OSTI)

    Laine, Seppo; Appleton, Philip N.; Gottesman, Stephen T.; Ashby, Matthew L. N.; Garland, Catherine A. E-mail: apple@ipac.caltech.ed E-mail: mashby@cfa.harvard.ed

    2010-09-15

    We have observed warm molecular hydrogen in two nearby edge-on disk galaxies, NGC 4565 and NGC 5907, using the Spitzer high-resolution infrared spectrograph. The 0-0 S(0) 28.2 {mu}m and 0-0 S(1) 17.0 {mu}m pure rotational lines were detected out to 10 kpc from the center of each galaxy on both sides of the major axis, and in NGC 4565 the S(0) line was detected at r = 15 kpc on one side. This location is beyond the transition zone where diffuse neutral atomic hydrogen starts to dominate over cold molecular gas and marks a transition from a disk dominated by high surface-brightness far-infrared (far-IR) emission to that of a more quiescent disk. It also lies beyond a steep drop in the radio continuum emission from cosmic rays (CRs) in the disk. Despite indications that star formation activity decreases with radius, the H{sub 2} excitation temperature and the ratio of the H{sub 2} line and the far-IR luminosity surface densities, {Sigma}(L{sub H{sub 2}})/{Sigma}(L{sub TIR}), change very little as a function of radius, even into the diffuse outer region of the disk of NGC 4565. This suggests that the source of excitation of the H{sub 2} operates over a large range of radii and is broadly independent of the strength and relative location of UV emission from young stars. Although excitation in photodissociation regions is the most common explanation for the widespread H{sub 2} emission, CR heating or shocks cannot be ruled out. At r = 15 kpc in NGC 4565, outside the main UV- and radio-continuum-dominated disk, we derived a higher than normal H{sub 2} to 7.7 {mu}m polycyclic aromatic hydrocarbon (PAH) emission ratio, but this is likely due to a transition from mainly ionized PAH molecules in the inner disk to mainly neutral PAH molecules in the outer disk. The inferred mass surface densities of warm molecular hydrogen in both edge-on galaxies differ substantially, being 4(-60) M{sub sun} pc{sup -2} and 3(-50) M{sub sun} pc{sup -2} at r = 10 kpc for NGC 4565 and NGC 5907, respectively. The higher values represent very unlikely point-source upper limits. The point-source case is not supported by the observed emission distribution in the spectral slits. These mass surface densities cannot support the observed rotation velocities in excess of 200 km s{sup -1}. Therefore, warm molecular hydrogen cannot account for dark matter in these disk galaxies, contrary to what was implied by a previous Infrared Space Observatory study of the nearby edge-on galaxy NGC 891.

  13. Method and source for producing a high concentration of positively charged molecular hydrogen or deuterium ions

    DOE Patents [OSTI]

    Ehlers, Kenneth W.; Leung, Ka-Ngo

    1988-01-01

    A high concentration of positive molecular ions of hydrogen or deuterium gas is extracted from a positive ion source having a short path length of extracted ions, relative to the mean free path of the gas molecules, to minimize the production of other ion species by collision between the positive ions and gas molecules. The ion source has arrays of permanent magnets to produce a multi-cusp magnetic field in regions remote from the plasma grid and the electron emitters, for largely confining the plasma to the space therebetween. The ion source has a chamber which is short in length, relative to its transverse dimensions, and the electron emitters are at an even shorter distance from the plasma grid, which contains one or more extraction apertures.

  14. Tractionseparation relationships for hydrogen induced grain boundary embrittlement in nickel via molecular dynamics simulations

    SciTech Connect (OSTI)

    Barrows, Wesley; Dingreville, Rmi; Spearot, Douglas

    2015-10-19

    A statistical approach combined with molecular dynamics simulations is used to study the influence of hydrogen on intergranular decohesion. This methodology is applied to a Ni ?3(112)[110] symmetric tilt grain boundary. Hydrogenated grain boundaries with different H concentrations are constructed using an energy minimization technique with initial H atom positions guided by Monte Carlo simulation results. Decohesion behavior is assessed through extraction of a tractionseparation relationship during steady-state crack propagation in a statistically meaningful approach, building upon prior work employing atomistic cohesive zone volume elements (CZVEs). A sensitivity analysis is performed on the numerical approach used to extract the tractionseparation relationships, clarifying the role of CZVE size, threshold parameters necessary to differentiate elastic and decohesion responses, and the numerical averaging technique. Results show that increasing H coverage at the Ni ?3(112)[110] grain boundary asymmetrically influences the crack tip velocity during propagation, leads to a general decrease in the work of separation required for crack propagation, and provides a reduction in the peak stress in the extracted tractionseparation relationship. Furthermore the present framework offers a meaningful vehicle to pass atomistically derived interfacial behavior to higher length scale formulations for intergranular fracture.

  15. Traction–separation relationships for hydrogen induced grain boundary embrittlement in nickel via molecular dynamics simulations

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

    Barrows, Wesley; Dingreville, Rémi; Spearot, Douglas

    2015-10-19

    A statistical approach combined with molecular dynamics simulations is used to study the influence of hydrogen on intergranular decohesion. This methodology is applied to a Ni Σ3(112)[11¯0] symmetric tilt grain boundary. Hydrogenated grain boundaries with different H concentrations are constructed using an energy minimization technique with initial H atom positions guided by Monte Carlo simulation results. Decohesion behavior is assessed through extraction of a traction–separation relationship during steady-state crack propagation in a statistically meaningful approach, building upon prior work employing atomistic cohesive zone volume elements (CZVEs). A sensitivity analysis is performed on the numerical approach used to extract the traction–separationmore » relationships, clarifying the role of CZVE size, threshold parameters necessary to differentiate elastic and decohesion responses, and the numerical averaging technique. Results show that increasing H coverage at the Ni Σ3(112)[11¯0] grain boundary asymmetrically influences the crack tip velocity during propagation, leads to a general decrease in the work of separation required for crack propagation, and provides a reduction in the peak stress in the extracted traction–separation relationship. Furthermore the present framework offers a meaningful vehicle to pass atomistically derived interfacial behavior to higher length scale formulations for intergranular fracture.« less

  16. Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach

    SciTech Connect (OSTI)

    Hyeon-Deuk, Kim; Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 ; Ando, Koji

    2014-05-07

    Liquid para-hydrogen (p-H{sub 2}) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H{sub 2}. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H{sub 2} liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.

  17. In-Situ Catalytic Fast Pyrolysis Technology Pathway

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

    ... The off- gas composition should also be better characterized to verify its suitability as a hydrogen plant feedstock. * Establish optimum catalytic pyrolysis oil properties. A key ...

  18. CIRCUMBINARY GAS ACCRETION ONTO A CENTRAL BINARY: INFRARED MOLECULAR HYDROGEN EMISSION FROM GG Tau A

    SciTech Connect (OSTI)

    Beck, Tracy L.; Lubow, S. H.; Bary, Jeffrey S.; Dutrey, Anne; Guilloteau, Stephane; Pietu, Vincent; Simon, M. E-mail: lubow@stsci.edu E-mail: Anne.Dutrey@obs.u-bordeaux1.fr E-mail: pietu@iram.fr

    2012-07-20

    We present high spatial resolution maps of ro-vibrational molecular hydrogen emission from the environment of the GG Tau A binary component in the GG Tau quadruple system. The H{sub 2} v = 1-0 S(1) emission is spatially resolved and encompasses the inner binary, with emission detected at locations that should be dynamically cleared on several hundred year timescales. Extensions of H{sub 2} gas emission are seen to {approx}100 AU distances from the central stars. The v = 2-1 S(1) emission at 2.24 {mu}m is also detected at {approx}30 AU from the central stars, with a line ratio of 0.05 {+-} 0.01 with respect to the v = 1-0 S(1) emission. Assuming gas in LTE, this ratio corresponds to an emission environment at {approx}1700 K. We estimate that this temperature is too high for quiescent gas heated by X-ray or UV emission from the central stars. Surprisingly, we find that the brightest region of H{sub 2} emission arises from a spatial location that is exactly coincident with a recently revealed dust 'streamer' which seems to be transferring material from the outer circumbinary ring around GG Tau A into the inner region. As a result, we identify a new excitation mechanism for ro-vibrational H{sub 2} stimulation in the environment of young stars. The H{sub 2} in the GG Tau A system appears to be stimulated by mass accretion infall as material in the circumbinary ring accretes onto the system to replenish the inner circumstellar disks. We postulate that H{sub 2} stimulated by accretion infall could be present in other systems, particularly binaries and 'transition disk' systems which have dust-cleared gaps in their circumstellar environments.

  19. Spectroscopic and thermodynamic properties of molecular hydrogen dissolved in water at pressures up to 200 MPa

    SciTech Connect (OSTI)

    Borysow, Jacek Rosso, Leonardo del; Celli, Milva; Ulivi, Lorenzo; Moraldi, Massimo

    2014-04-28

    We have measured the Raman Q-branch of hydrogen in a solution with water at a temperature of about 280 K and at pressures from 20 to 200 MPa. From a least-mean-square fitting analysis of the broad Raman Q-branch, we isolated the contributions from the four lowest individual roto-vibrational lines. The vibrational lines were narrower than the pure rotational Raman lines of hydrogen dissolved in water measured previously, but significantly larger than in the gas. The separations between these lines were found to be significantly smaller than in gaseous hydrogen and their widths were slightly increasing with pressure. The lines were narrowing with increasing rotational quantum number. The Raman frequencies of all roto-vibrational lines were approaching the values of gas phase hydrogen with increasing pressure. Additionally, from the comparison of the integrated intensity signal of Q-branch of hydrogen to the integrated Raman signal of the water bending mode, we have obtained the concentration of hydrogen in a solution with water along the 280 K isotherm. Hydrogen solubility increases slowly with pressure, and no deviation from a smooth behaviour was observed, even reaching thermodynamic conditions very close to the transition to the stable hydrogen hydrate. The analysis of the relative hydrogen concentration in solution on the basis of a simple thermodynamic model has allowed us to obtain the molar volume for the hydrogen gas/water solution. Interestingly, the volume relative to one hydrogen molecule in solution does not decrease with pressure and, at high pressure, is larger than the volume pertinent to one molecule of water. This is in favour of the theory of hydrophobic solvation, for which a larger and more stable structure of the water molecules is expected around a solute molecule.

  20. HST/COS detection of deuterated molecular hydrogen in a damped Ly? system at z = 0.18

    SciTech Connect (OSTI)

    Oliveira, Cristina M.; Sembach, Kenneth R.; Tumlinson, Jason; Thom, Christopher [Space Telescope Science Institute, Baltimore, MD 21218 (United States); O'Meara, John, E-mail: oliveira@stsci.edu [Saint Michael's College, Colchester, VT 05439 (United States)

    2014-03-01

    We report on the detection of deuterated molecular hydrogen, HD, at z = 0.18. HD and H{sub 2} are detected in HST/COS data of a low-metallicity (Z ? 0.07 Z {sub ?}) damped Ly? (DLA) system at z = 0.18562 toward QSO B012028, with log N(H I) = 20.50 0.10. Four absorption components are clearly resolved in H{sub 2}, while two components are resolved in HD; the bulk of the molecular hydrogen is associated with the components traced by HD. We find total column densities log N(HD) = 14.82 0.15 and log N(H{sub 2}) = 20.00 0.10. This system has a high molecular fraction, f(H{sub 2}) = 0.39 0.10, and a low HD-to-H{sub 2} ratio, log (HD/2H{sub 2}) = 5.5 0.2 dex. The excitation temperature, T {sub 01} = 65 2 K, in the component containing the bulk of the molecular gas is lower than in other DLAs. These properties are unlike those in other higher redshift DLA systems known to contain HD, but are consistent with what is observed in dense clouds in the Milky Way.

  1. JET-SHOCKED H{sub 2} AND CO IN THE ANOMALOUS ARMS OF MOLECULAR HYDROGEN EMISSION GALAXY NGC4258

    SciTech Connect (OSTI)

    Ogle, P. M.; Lanz, L.; Appleton, P. N.

    2014-06-20

    We present a Spitzer Infrared Spectrograph map of H{sub 2} emission from the nearby galaxy NGC4258 (Messier 106). The H{sub 2} emission comes from 9.4 0.4 10{sup 6} M {sub ?} of warm molecular hydrogen heated to 240-1040K in the inner anomalous arms, a signature of jet interaction with the galaxy disk. The spectrum is that of a molecular hydrogen emission galaxy (MOHEG), with a large ratio of H{sub 2} over 7.7 ?m polycyclic aromatic hydrocarbon emission (0.37), characteristic of shocked molecular gas. We find close spatial correspondence between the H{sub 2} and CO emission from the anomalous arms. Our estimate of cold molecular gas mass based on CO emission is 10times greater than our estimate of 1.0 10{sup 8} M {sub ?} based on dust emission. We suggest that the X {sub CO} value is 10times lower than the Milky Way value because of high kinetic temperature and enhanced turbulence. The H{sub 2} disk has been overrun and is being shocked by the jet cocoon, and much of the gas originally in the disk has been ejected into the galaxy halo in an X-ray hot outflow. We measure a modest star formation rate of 0.08 M {sub ?} yr{sup 1} in the central 3.4kpc{sup 2} that is consistent with the remaining gas surface density.

  2. Population inversion in a magnetized hydrogen plasma expansion as a consequence of the molecular mutual neutralization process

    SciTech Connect (OSTI)

    Harskamp, W. E. N. van; Brouwer, C. M.; Schram, D. C.; Sanden, M. C. M. van de; Engeln, R.

    2011-03-15

    A weakly magnetized expanding hydrogen plasma, created by a cascaded arc, was investigated using optical emission spectroscopy. The emission of the expanding plasma is dominated by H{sub {alpha}} emission in the first part of the plasma expansion, after which a sharp transition to a blue afterglow is observed. The position of this sharp transition along the expansion axis depends on the magnetic field strength. The blue afterglow emission is associated with population inversion of the electronically excited atomic hydrogen states n=4-6 with respect to n=3. By comparing the measured densities with the densities using an atomic collisional radiative model, we conclude that atomic recombination processes cannot account for the large population densities observed. Therefore, molecular processes must be important for the formation of excited states and for the occurrence of population inversion. This is further corroborated at the transition from red to blue, where a hollow profile of the excited states n=4-6 in the radial direction is observed. This hollow profile is explained by the molecular mutual neutralization process of H{sub 2}{sup +} with H{sup -}, which has a maximum production for excited atomic hydrogen 1-2 cm outside the plasma center.

  3. Molecular hydrogen regulated star formation in cosmological smoothed particle hydrodynamics simulations

    SciTech Connect (OSTI)

    Thompson, Robert; Nagamine, Kentaro; Jaacks, Jason; Choi, Jun-Hwan

    2014-01-10

    Some observations have shown that star formation (SF) correlates tightly with the presence of molecular hydrogen (H{sub 2}); therefore, it is important to investigate its implication on galaxy formation in a cosmological context. In the present work, we implement a sub-grid model (hereafter H{sub 2}-SF model) that tracks the H{sub 2} mass fraction within our cosmological smoothed particle hydrodynamics code GADGET-3 by using an equilibrium analytic model of Krumholz et al. This model allows us to regulate the SF in our simulation by the local abundance of H{sub 2} rather than the total cold gas density, which naturally introduces the dependence of SF on metallicity. We investigate the implications of the H{sub 2}-SF model on galaxy population properties, such as the stellar-to-halo mass ratio (SHMR), baryon fraction, cosmic star formation rate density (SFRD), galaxy specific SFR, galaxy stellar mass functions (GSMF), and Kennicutt-Schmidt (KS) relationship. The advantage of our work over the previous ones is having a large sample of simulated galaxies in a cosmological volume from high redshift to z = 0. We find that low-mass halos with M {sub DM} < 10{sup 10.5} M {sub ?} are less efficient in producing stars in the H{sub 2}-SF model at z ? 6, which brings the simulations into better agreement with the observational estimates of the SHMR and GSMF at the low-mass end. This is particularly evident by a reduction in the number of low-mass galaxies at M {sub *} ? 10{sup 8} M {sub ?} in the GSMF. The overall SFRD is also reduced at high z in the H{sub 2} run, which results in slightly higher SFRD at low redshift due to more abundant gas available for SF at later times. This new H{sub 2} model is able to reproduce the empirical KS relationship at z = 0 naturally, without the need for setting its normalization by hand, and overall it seems to have more advantages than the previous pressure-based SF model.

  4. Interaction of toluene with two-color asymmetric laser fields: Controlling the directional emission of molecular hydrogen fragments

    SciTech Connect (OSTI)

    Kaziannis, S.; Kotsina, N.; Kosmidis, C.

    2014-09-14

    The interaction of toluene with strong asymmetric two-color laser irradiation of 40 fs duration is studied by means of Time of flight mass spectrometry. Highly energetic H{sub 2}{sup +} and H{sub 3}{sup +} fragment ions are produced through an isomerization process taking place within transient multiply charged parent ions. Comparative study of deuterium labeled toluene isotopes enables the discrimination between molecular hydrogen fragments formed exclusively within the CH{sub 3}- part from those that require hydrogen atom exchange between the former and the phenyl moiety. It is demonstrated that by manipulating the relative phase of the ?/2? field components the selective ionization of oriented toluene molecules can be used as a tool to control the directional emission of the H{sub 2}{sup +}, H{sub 3}{sup +} species.

  5. Neutron Scattering of Residual Hydrogen in 1,4-Dioxane-D8 Liquid. Understanding Measurements with Molecular Dynamics Simulations

    SciTech Connect (OSTI)

    de Almeida, Valmor F.; Liu, Hongjun; Herwig, Kenneth W.; Kidder, Michelle

    2016-01-01

    That incoherent scattering from protiated molecular liquids adds a constant background to the measured scattering intensity is well known, but less appreciated is the fact that coherent scattering is also induced by the presence of hydrogen in a deuterated liquid. In fact, the scattering intensity can be very sensitive, in the small-q region, with respect to the amounts and distribution of residual H in the system. We used 1,4-dioxane liquid to demonstrate that the partial structure factors of the HD and DD atom pairs contribute significantly to inter-molecular scattering and that uncertainty in the extent of deuteration account for discrepancies between simulations and measurements. Both contributions to uncertainty have similar magnitudes: scattering interference of the hydrogen-deuterium pair, and complementary interference from the deuterium-deuterium pair by virtue of chemical inhomogeneity. This situation arises in practice since deuteration of liquids is often 99% or less. A combined experimental and extensive computational study of static thermal neutron scattering of 1,4-dioxane demonstrates the foregoing. We show, through simulations, that the reason for the differences is the content of protiated dioxane (vendors quote 1%). We estimate that up to 5% (at 298K and at 343K) protiated mole fraction may be involved in generating the scattering differences. Finally, we find that the particular distribution of hydrogen in the protiated molecules affects the results significantly; here we considered molecules to be either fully protiated or fully deuterated. This scenario best reconciles the computational and experimental results, and leads us to speculate that the deuteration synthesis process tends to leave a molecule either fully deuterated or fully protiated. Although we have used 1,4-dioxane as a model liquid, the effects described in this study extend to similar liquids and similar systematic experimental/computational studies can be performed to either understand measurements or calibrate/validate molecular dynamics models.

  6. Catalytic dehydrohalogenation and hydrogenation using H{sub 2} and palladium as a method for the removal of tetrachloroethylene from water

    SciTech Connect (OSTI)

    Schreier, C.G.; Reinhard, M.

    1995-12-01

    The reduction of tetrachloroethylene to ethane in water by hydrogen and supported palladium was rapid at room temperature even at the low hydrogen partial pressure of 0.1 atm. The rate constant for reaction of PCE with 0.05g of 1% Pd on polyethylenimine coated beads was 0.034min{sup -1}. Ethane and ethene production were concomitant with ethane accounting for 65% of the initial PCE and ethene about 2%. When the support was alumina pellets, granular carbon, or activated carbon powder, PCE disappeared within 10 minutes and rate data could not obtained. Ethane was produced in these systems with yields of 65-80% while ethene was a reactive intermediate whose maximum amount was about 5% of the initial PCE. Particle size was important when using a carbon support. If hydrogen was added after PCE sorption onto the activated carbon powder, the amount of ethane formed was the same as when hydrogen was added initially. However, when hydrogen was added after PCE sorption onto granular carbon, less than 10% of the PCE could be accounted for as ethane.

  7. Recognizing molecular patterns by machine learning: An agnostic structural definition of the hydrogen bond

    SciTech Connect (OSTI)

    Gasparotto, Piero; Ceriotti, Michele

    2014-11-07

    The concept of chemical bonding can ultimately be seen as a rationalization of the recurring structural patterns observed in molecules and solids. Chemical intuition is nothing but the ability to recognize and predict such patterns, and how they transform into one another. Here, we discuss how to use a computer to identify atomic patterns automatically, so as to provide an algorithmic definition of a bond based solely on structural information. We concentrate in particular on hydrogen bonding – a central concept to our understanding of the physical chemistry of water, biological systems, and many technologically important materials. Since the hydrogen bond is a somewhat fuzzy entity that covers a broad range of energies and distances, many different criteria have been proposed and used over the years, based either on sophisticate electronic structure calculations followed by an energy decomposition analysis, or on somewhat arbitrary choices of a range of structural parameters that is deemed to correspond to a hydrogen-bonded configuration. We introduce here a definition that is univocal, unbiased, and adaptive, based on our machine-learning analysis of an atomistic simulation. The strategy we propose could be easily adapted to similar scenarios, where one has to recognize or classify structural patterns in a material or chemical compound.

  8. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    SciTech Connect (OSTI)

    Mac Low, Mordecai-Mark; Glover, Simon C. O. E-mail: glover@uni-heidelberg.de

    2012-02-20

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R{sub mol} and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H{sub 2} from cold atomic gas. The formation timescale for H{sub 2} is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H{sub 2} formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H{sub 2} formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H{sub 2}. The observed correlation of R{sub mol} with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R{sub mol} with density. If we examine the value of R{sub mol} in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  9. IA-HySafe International Conference on Hydrogen Safety (ICHS)

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

    AC22-91PC91056 Molecular Catalytic Hydrogenation of Aromatic Hydrocarbons and the Hydrotreating of Coal Liquids Final Report For U. S. Department of Energy Pittsburgh Energy Technology Center Pittsburgh, Pennsylvania By Shiyong Yang and Leon M. Stock Department of Chemistry The University of Chicago Chicago, Illinois May 1996 Work Performed Under Contract No. DE-AC22-91PC91056 - i - Table of Contents Table of Contents . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

  10. Final Technical Report for DOE Grant, number DE-FG02-05ER15701; Probing Surface Chemistry Under Catalytic Conditions: Olefin Hydrogenation,Cyclization and Functionalization.

    SciTech Connect (OSTI)

    Neurock, Matthew

    2011-05-26

    The specific goal of this work was to understanding the catalytic reactions pathways for the synthesis of vinyl acetate over Pd, Au and PdAu alloys. A combination of both experimental methods (X-ray and Auger spectroscopies, low-energy ion scattering (LEIS), low-energy electron diffraction (LEED) and theory (Density Functional Theory (DFT) calculations and Monte Carlo methods under various different reactions) were used to track the surface chemistry and the influence of alloying. The surface intermediates involved in the various reactions were characterized using reflection-absorption infrared spectroscopy and LEED to identify the nature of the surface species and temperature-programmed desorption (TPD) to follow the decomposition pathways and measure heats of adsorption. These results along with those from density functional theoretical calculations were used determine the kinetics for elementary steps. The results from this work showed that the reaction proceeds via the Samanos mechanism over Pd surfaces whereby the ethylene directly couples with acetate to form an acetoxyethyl intermediate that subsequently undergoes a beta-hydride elimination to form the vinyl acetate monomer. The presence of Au was found to modify the adsorption energies and surface coverages of important surface intermediates including acetate, ethylidyne and ethylene which ultimately influences the critical C-H activation and coupling steps. By controlling the surface alloy composition or structure one can begin to control the steps that control the rate and even the mechanism.

  11. Catalytic Nonoxidation Dehydrogenation of Ethane Over Fe-Ni Catalysts Supported on Mg (Al)O to Produce Hydrogen and Easily Purified Carbon Nanotubes

    SciTech Connect (OSTI)

    Shen,W.; Wang, Y.; Shi, X.; Shah, N.; Huggins, F.; Bollineni, S.; Seehra, M.; Huffman, G.

    2007-01-01

    Nonoxidative decomposition of ethane was conducted over monometallic Ni and bimetallic Fe-Ni catalysts on basic Mg(Al)O support to produce H2 free of CO and CO2 and easily purified carbon nanotubes, a potentially valuable byproduct. The Mg(Al)O support was prepared by calcination of synthetic MgAl-hydrotalcite with a Mg to Al ratio of 5. The catalysts were prepared by incipient wetness with total metal loadings of 5 wt %. The dehydrogenation of undiluted ethane was conducted at temperatures of 500, 650, and 700 C. At 500 C, the Ni/Mg(Al)O catalyst was highly active and very stable with 100% conversion of ethane to 20 vol % H2 and 80 vol % CH4. However, the bimetallic Fe-Ni/Mg(Al)O exhibited its best performance at 650 C, yielding 65 vol % H2, 10 vol % CH4, and 25 vol % unreacted ethane. The product carbon was in the form of carbon nanotubes (CNT) at all three reaction temperatures, but the morphology of the CNT depended on both the catalyst composition and reaction temperature. The CNTs were formed by a tip-growth mechanism over the Mg(Al)O supported catalysts and were easily purified by a one-step dilute nitric acid treatment. Mossbauer spectroscopy, X-ray absorption fine structure spectroscopy, N2 adsorption-desorption isotherms, TEM, STEM, TGA, and XRD were used to characterize the catalysts and the CNT, revealing the catalytic mechanisms.

  12. Catalytic reactor

    DOE Patents [OSTI]

    Aaron, Timothy Mark; Shah, Minish Mahendra; Jibb, Richard John

    2009-03-10

    A catalytic reactor is provided with one or more reaction zones each formed of set(s) of reaction tubes containing a catalyst to promote chemical reaction within a feed stream. The reaction tubes are of helical configuration and are arranged in a substantially coaxial relationship to form a coil-like structure. Heat exchangers and steam generators can be formed by similar tube arrangements. In such manner, the reaction zone(s) and hence, the reactor is compact and the pressure drop through components is minimized. The resultant compact form has improved heat transfer characteristics and is far easier to thermally insulate than prior art compact reactor designs. Various chemical reactions are contemplated within such coil-like structures such that as steam methane reforming followed by water-gas shift. The coil-like structures can be housed within annular chambers of a cylindrical housing that also provide flow paths for various heat exchange fluids to heat and cool components.

  13. Method of fabricating a catalytic structure

    DOE Patents [OSTI]

    Rollins, Harry W.; Petkovic, Lucia M.; Ginosar, Daniel M.

    2009-09-22

    A precursor to a catalytic structure comprising zinc oxide and copper oxide. The zinc oxide has a sheet-like morphology or a spherical morphology and the copper oxide comprises particles of copper oxide. The copper oxide is reduced to copper, producing the catalytic structure. The catalytic structure is fabricated by a hydrothermal process. A reaction mixture comprising a zinc salt, a copper salt, a hydroxyl ion source, and a structure-directing agent is formed. The reaction mixture is heated under confined volume conditions to produce the precursor. The copper oxide in the precursor is reduced to copper. A method of hydrogenating a carbon oxide using the catalytic structure is also disclosed, as is a system that includes the catalytic structure.

  14. Design and Development of New Carbon-Based Sorbent Systems for an Effective Containment of Hydrogen

    SciTech Connect (OSTI)

    Alan C. Cooper

    2012-05-03

    This is a summary for work performed under cooperative agreement DE FC36 04GO14006 (Design and Development of New Carbon-based Sorbent Systems for an Effective Containment of Hydrogen). The project was directed to discover new solid and liquid materials that use reversible catalytic hydrogenation as the mechanism for hydrogen capture and storage. After a short period of investigation of solid materials, the inherent advantages of storing and transporting hydrogen using liquid-phase materials focused our attention exclusively on organic liquid hydrogen carriers (liquid carriers). While liquid carriers such as decalin and methylcyclohexane were known in the literature, these carriers suffer from practical disadvantages such as the need for very high temperatures to release hydrogen from the carriers and difficult separation of the carriers from the hydrogen. In this project, we were successful in using the prediction of reaction thermodynamics to discover liquid carriers that operate at temperatures up to 150 C lower than the previously known carriers. The means for modifying the thermodynamics of liquid carriers involved the use of certain molecular structures and incorporation of elements other than carbon into the carrier structure. The temperature decrease due to the more favorable reaction thermodynamics results in less energy input to release hydrogen from the carriers. For the first time, the catalytic reaction required to release hydrogen from the carriers could be conducted with the carrier remaining in the liquid phase. This has the beneficial effect of providing a simple means to separate the hydrogen from the carrier.

  15. Raney nickel catalytic device

    DOE Patents [OSTI]

    O'Hare, Stephen A.

    1978-01-01

    A catalytic device for use in a conventional coal gasification process which includes a tubular substrate having secured to its inside surface by expansion a catalytic material. The catalytic device is made by inserting a tubular catalytic element, such as a tubular element of a nickel-aluminum alloy, into a tubular substrate and heat-treating the resulting composite to cause the tubular catalytic element to irreversibly expand against the inside surface of the substrate.

  16. Surface Segregation in a PdCu Alloy Hydrogen Separation Membrane

    SciTech Connect (OSTI)

    Miller, J.B.; Matranga, C.S.; Gellman, A.J.

    2007-06-01

    Separation of hydrogen from mixed gas streams is an important step for hydrogen generation technologies, including hydrocarbon reforming and coal/biomass gasification. Dense palladium-based membranes have received significant attention for this application because of palladiums ability to dissociatively adsorb molecular hydrogen at its surface for subsequent transport of hydrogen atoms through its bulk. Alloying palladium with minor components, like copper, has been shown to improve both the membranes structural characteristics and resistance to poisoning of its catalytic surface [1]. Surface segregationa composition difference between the bulk material and its surfaceis common in alloys and can affect important surface processes. Rational design of alloy membranes requires that surface segregation be understood, and possibly controlled. In this work, we examine surface segregation in a polycrystalline Pd70Cu30 hydrogen separation membrane as a function of thermal treatment and adsorption of hydrogen sulfide.

  17. Use of once-through treat gas to remove the heat of reaction in solvent hydrogenation processes

    DOE Patents [OSTI]

    Nizamoff, Alan J.

    1980-01-01

    In a coal liquefaction process wherein feed coal is contacted with molecular hydrogen and a hydrogen-donor solvent in a liquefaction zone to form coal liquids and vapors and coal liquids in the solvent boiling range are thereafter hydrogenated to produce recycle solvent and liquid products, the improvement which comprises separating the effluent from the liquefaction zone into a hot vapor stream and a liquid stream; cooling the entire hot vapor stream sufficiently to condense vaporized liquid hydrocarbons; separating condensed liquid hydrocarbons from the cooled vapor; fractionating the liquid stream to produce coal liquids in the solvent boiling range; dividing the cooled vapor into at least two streams; passing the cooling vapors from one of the streams, the coal liquids in the solvent boiling range, and makeup hydrogen to a solvent hydrogenation zone, catalytically hydrogenating the coal liquids in the solvent boiling range and quenching the hydrogenation zone with cooled vapors from the other cooled vapor stream.

  18. Degradation Mechanisms of Urea Selective Catalytic Reduction Technology |

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

    Department of Energy 09 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. PDF icon acep_02_peden.pdf More Documents & Publications Degradation Mechanisms of Urea Selective Catalytic Reduction Technology Degradation Mechanisms of Urea Selective Catalytic Reduction Technology Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials

  19. Analysis of hydrogen isotope mixtures

    DOE Patents [OSTI]

    Villa-Aleman, Eliel

    1994-01-01

    An apparatus and method for determining the concentrations of hydrogen isotopes in a sample. Hydrogen in the sample is separated from other elements using a filter selectively permeable to hydrogen. Then the hydrogen is condensed onto a cold finger or cryopump. The cold finger is rotated as pulsed laser energy vaporizes a portion of the condensed hydrogen, forming a packet of molecular hydrogen. The desorbed hydrogen is ionized and admitted into a mass spectrometer for analysis.

  20. Monodisperse metal nanoparticle catalysts on silica mesoporous supports: synthesis, characterizations, and catalytic reactions

    SciTech Connect (OSTI)

    Somorjai, G.A.

    2009-09-14

    The design of high performance catalyst achieving near 100% product selectivity at maximum activity is one of the most important goals in the modern catalytic science research. To this end, the preparation of model catalysts whose catalytic performances can be predicted in a systematic and rational manner is of significant importance, which thereby allows understanding of the molecular ingredients affecting the catalytic performances. We have designed novel 3-dimensional (3D) high surface area model catalysts by the integration of colloidal metal nanoparticles and mesoporous silica supports. Monodisperse colloidal metal NPs with controllable size and shape were synthesized using dendrimers, polymers, or surfactants as the surface stabilizers. The size of Pt, and Rh nanoparticles can be varied from sub 1 nm to 15 nm, while the shape of Pt can be controlled to cube, cuboctahedron, and octahedron. The 3D model catalysts were generated by the incorporation of metal nanoparticles into the pores of mesoporous silica supports via two methods: capillary inclusion (CI) and nanoparticle encapsulation (NE). The former method relies on the sonication-induced inclusion of metal nanoparticles into the pores of mesoporous silica, whereas the latter is performed by the encapsulation of metal nanoparticles during the hydrothermal synthesis of mesoporous silica. The 3D model catalysts were comprehensively characterized by a variety of physical and chemical methods. These catalysts were found to show structure sensitivity in hydrocarbon conversion reactions. The Pt NPs supported on mesoporous SBA-15 silica (Pt/SBA-15) displayed significant particle size sensitivity in ethane hydrogenolysis over the size range of 1-7 nm. The Pt/SBA-15 catalysts also exhibited particle size dependent product selectivity in cyclohexene hydrogenation, crotonaldehyde hydrogenation, and pyrrole hydrogenation. The Rh loaded SBA-15 silica catalyst showed structure sensitivity in CO oxidation reaction. In addition, Pt-mesoporous silica core-shell structured NPs (Pt{at}mSiO{sub 2}) were prepared, where the individual Pt NP is encapsulated by the mesoporous silica layer. The Pt{at}mSiO{sub 2} catalysts showed promising catalytic activity in high temperature CO oxidation. The design of catalytic structures with tunable parameters by rational synthetic methods presents a major advance in the field of catalyst synthesis, which would lead to uncover the structure-function relationships in heterogeneous catalytic reactions.

  1. CATALYTIC CONVERSION OF ORGANIC COMPOUNDS USING PENETRATING RADIATION

    DOE Patents [OSTI]

    Caffrey, J.M. Jr.

    1961-10-01

    A method of hydrogenating an olefinic hydrocarbon by irradiating a substrate catalyst and increasing its catalytic activity is described. Ferric oxide with about 0.005% by weight of at least one oxide of a metal selected from the group consisting of aluminum, magnesium, nickel, zirconium, and manganese incorporated therein is irradiated. Then an alkane is placed upon the surface of the catalyst and irradiated in an atmosphere of hydrogen. Any olefin produced from this radiolysis becomes hydrogenated. (AEC)

  2. Rich catalytic injection

    DOE Patents [OSTI]

    Veninger, Albert (Coventry, CT)

    2008-12-30

    A gas turbine engine includes a compressor, a rich catalytic injector, a combustor, and a turbine. The rich catalytic injector includes a rich catalytic device, a mixing zone, and an injection assembly. The injection assembly provides an interface between the mixing zone and the combustor. The injection assembly can inject diffusion fuel into the combustor, provides flame aerodynamic stabilization in the combustor, and may include an ignition device.

  3. Effects of hydrogen on the optical properties of ZnCdO/ZnO quantum wells grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Buyanova, I. A.; Wang, X. J.; Chen, W. M.; Pozina, G.; Lim, W.; Norton, D. P.; Pearton, S. J.; Osinsky, A.; Dong, J. W.; Hertog, B.

    2008-06-30

    Temperature-dependent cw- and time-resolved photoluminescence (PL), as well as optically detected magnetic resonance (ODMR) measurements are employed to evaluate effects of deuterium (2H) doping on optical properties of ZnCdO/ZnO quantum well structures grown by molecular beam epitaxy. It is shown that incorporation of {sup 2}H from a remote plasma causes a substantial improvement in radiative efficiency of the investigated structures. Based on transient PL measurements, the observed improvements are attributed to efficient passivation by hydrogen of competing nonradiative recombination centers via defects. This conclusion is confirmed from the ODMR studies.

  4. Hydrogen and sulfur recovery from hydrogen sulfide wastes

    DOE Patents [OSTI]

    Harkness, John B. L.; Gorski, Anthony J.; Daniels, Edward J.

    1993-01-01

    A process for generating hydrogen and elemental sulfur from hydrogen sulfide waste in which the hydrogen sulfide is associated under plasma conditions and a portion of the hydrogen output is used in a catalytic reduction unit to convert sulfur-containing impurities to hydrogen sulfide for recycle, the process also including the addition of an ionizing gas such as argon to initiate the plasma reaction at lower energy, a preheater for the input to the reactor and an internal adjustable choke in the reactor for enhanced coupling with the microwave energy input.

  5. Hydrogen and sulfur recovery from hydrogen sulfide wastes

    DOE Patents [OSTI]

    Harkness, J.B.L.; Gorski, A.J.; Daniels, E.J.

    1993-05-18

    A process is described for generating hydrogen and elemental sulfur from hydrogen sulfide waste in which the hydrogen sulfide is [dis]associated under plasma conditions and a portion of the hydrogen output is used in a catalytic reduction unit to convert sulfur-containing impurities to hydrogen sulfide for recycle, the process also including the addition of an ionizing gas such as argon to initiate the plasma reaction at lower energy, a preheater for the input to the reactor and an internal adjustable choke in the reactor for enhanced coupling with the microwave energy input.

  6. Vacuum-insulated catalytic converter

    DOE Patents [OSTI]

    Benson, David K.

    2001-01-01

    A catalytic converter has an inner canister that contains catalyst-coated substrates and an outer canister that encloses an annular, variable vacuum insulation chamber surrounding the inner canister. An annular tank containing phase-change material for heat storage and release is positioned in the variable vacuum insulation chamber a distance spaced part from the inner canister. A reversible hydrogen getter in the variable vacuum insulation chamber, preferably on a surface of the heat storage tank, releases hydrogen into the variable vacuum insulation chamber to conduct heat when the phase-change material is hot and absorbs the hydrogen to limit heat transfer to radiation when the phase-change material is cool. A porous zeolite trap in the inner canister absorbs and retains hydrocarbons from the exhaust gases when the catalyst-coated substrates and zeolite trap are cold and releases the hydrocarbons for reaction on the catalyst-coated substrate when the zeolite trap and catalyst-coated substrate get hot.

  7. Catalytic distillation structure

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A.

    1984-01-01

    Catalytic distillation structure for use in reaction distillation columns, a providing reaction sites and distillation structure and consisting of a catalyst component and a resilient component intimately associated therewith. The resilient component has at least about 70 volume % open space and being present with the catalyst component in an amount such that the catalytic distillation structure consist of at least 10 volume % open space.

  8. Application of computational fluid dynamics for the simulation of cryogenic molecular sieve bed absorber of hydrogen isotopes recovery system for Indian LLCB-TBM

    SciTech Connect (OSTI)

    Gayathri Devi, V.; Sircar, A.; Sarkar, B.

    2015-03-15

    One of the most challenging tasks in the design of the fuel cycle system lies in the effective design of Tritium Extraction System (TES) which involves proper extraction and purification of tritium in the fuel cycle of the fusion reactor. Indian Lead Lithium cooled Ceramic Breeder Test Blanket Module (LLCB-TBM) would extract hydrogen isotopes through Cryogenic Molecular Sieve Bed (CMSB) adsorber system. A prototype Hydrogen Isotopes Recovery System (HIRS) is being developed to validate the concepts for tritium extraction by adsorption mass transfer mechanism. In this study, a design model has been developed and analyzed to simulate the adsorption mass transfer kinetics in a fixed bed adsorption column. The simulation leads primarily to effective design of HIRS, which is a state-of-the-art technology. The paper describes the process simulation approach and the results of Computational Fluid Dynamics (CFD) analysis. The effects of different operating conditions are studied to investigate their influence on the hydrogen isotopes adsorption capacity. The results of the present simulation study would be used to understand the best optimized transport phenomenon before realizing the TES as a system for LLCB-TBM. (authors)

  9. Concomitant Microbial Generation of Palladium Nanoparticles and Hydrogen To Immobilize Chromate

    SciTech Connect (OSTI)

    Chidambaram, D.; Hennebel, T; Taghavi, S; Mast, J; Boon, N; Verstraete, W; Van Der Lelie, D; Fitts, J

    2010-01-01

    The catalytic properties of various metal nanoparticles have led to their use in environmental remediation. Our aim is to develop and apply an efficient bioremediation method based on in situ biosynthesis of bio-Pd nanoparticles and hydrogen. C. pasteurianum BC1 was used to reduce Pd(II) ions to form Pd nanoparticles (bio-Pd) that primarily precipitated on the cell wall and in the cytoplasm. C. pasteurianum BC1 cells, loaded with bio-Pd nanoparticle in the presence of glucose, were subsequently used to fermentatively produce hydrogen and to effectively catalyze the removal of soluble Cr(VI) via reductive transformation to insoluble Cr(III) species. Batch and aquifer microcosm experiments using C. pasteurianum BC1 cells loaded with bio-Pd showed efficient reductive Cr(VI) removal, while in control experiments with killed or viable but Pd-free bacterial cultures no reductive Cr(VI) removal was observed. Our results suggest a novel process where the in situ microbial production of hydrogen is directly coupled to the catalytic bio-Pd mediated reduction of chromate. This process offers significant advantages over the current groundwater treatment technologies that rely on introducing preformed catalytic nanoparticles into groundwater treatment zones and the costly addition of molecular hydrogen to above ground pump and treat systems.

  10. Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic

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

    Reduction Materials | Department of Energy 09 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. PDF icon ace_25_peden.pdf More Documents & Publications Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and

  11. APPARATUS FOR CATALYTICALLY COMBINING GASES

    DOE Patents [OSTI]

    Busey, H.M.

    1958-08-12

    A convection type recombiner is described for catalytically recombining hydrogen and oxygen which have been radiolytically decomposed in an aqueous homogeneous nuclear reactor. The device is so designed that the energy of recombination is used to circulate the gas mixture over the catalyst. The device consists of a vertical cylinder having baffles at its lower enda above these coarse screens having platinum and alumina pellets cemented thereon, and an annular passage for the return of recombined, condensed water to the reactor moderator system. This devicea having no moving parts, provides a simple and efficient means of removing the danger of accumulated hot radioactive, explosive gases, and restoring them to the moderator system for reuse.

  12. Methods of using structures including catalytic materials disposed within porous zeolite materials to synthesize hydrocarbons

    DOE Patents [OSTI]

    Rollins, Harry W.; Petkovic, Lucia M.; Ginosar, Daniel M.

    2011-02-01

    Catalytic structures include a catalytic material disposed within a zeolite material. The catalytic material may be capable of catalyzing a formation of methanol from carbon monoxide and/or carbon dioxide, and the zeolite material may be capable of catalyzing a formation of hydrocarbon molecules from methanol. The catalytic material may include copper and zinc oxide. The zeolite material may include a first plurality of pores substantially defined by a crystal structure of the zeolite material and a second plurality of pores dispersed throughout the zeolite material. Systems for synthesizing hydrocarbon molecules also include catalytic structures. Methods for synthesizing hydrocarbon molecules include contacting hydrogen and at least one of carbon monoxide and carbon dioxide with such catalytic structures. Catalytic structures are fabricated by forming a zeolite material at least partially around a template structure, removing the template structure, and introducing a catalytic material into the zeolite material.

  13. Autothermal hydrogen storage and delivery systems

    DOE Patents [OSTI]

    Pez, Guido Peter; Cooper, Alan Charles; Scott, Aaron Raymond

    2011-08-23

    Processes are provided for the storage and release of hydrogen by means of dehydrogenation of hydrogen carrier compositions where at least part of the heat of dehydrogenation is provided by a hydrogen-reversible selective oxidation of the carrier. Autothermal generation of hydrogen is achieved wherein sufficient heat is provided to sustain the at least partial endothermic dehydrogenation of the carrier at reaction temperature. The at least partially dehydrogenated and at least partially selectively oxidized liquid carrier is regenerated in a catalytic hydrogenation process where apart from an incidental employment of process heat, gaseous hydrogen is the primary source of reversibly contained hydrogen and the necessary reaction energy.

  14. Catalytic distillation process

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1982-06-22

    A method is described for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C[sub 4] feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

  15. 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.

  16. Catalytic distillation structure

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1984-04-17

    Catalytic distillation structure is described for use in reaction distillation columns, and provides reaction sites and distillation structure consisting of a catalyst component and a resilient component intimately associated therewith. The resilient component has at least about 70 volume % open space and is present with the catalyst component in an amount such that the catalytic distillation structure consists of at least 10 volume % open space. 10 figs.

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

    SciTech Connect (OSTI)

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

    2014-12-14

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

  18. ULTRALUMINOUS STAR-FORMING GALAXIES AND EXTREMELY LUMINOUS WARM MOLECULAR HYDROGEN EMISSION AT z = 2.16 IN THE PKS 1138-26 RADIO GALAXY PROTOCLUSTER

    SciTech Connect (OSTI)

    Ogle, P.; Davies, J. E.; Helou, G.; Appleton, P. N.; Bertincourt, B.; Seymour, N.

    2012-05-20

    A deep Spitzer Infrared Spectrograph map of the PKS 1138-26 galaxy protocluster reveals ultraluminous polycyclic aromatic hydrocarbon (PAH) emission from obscured star formation in three protocluster galaxies, including H{alpha}-emitter (HAE) 229, HAE 131, and the central Spiderweb Galaxy. Star formation rates of {approx}500-1100 M{sub Sun} yr{sup -1} are estimated from the 7.7 {mu}m PAH feature. At such prodigious formation rates, the galaxy stellar masses will double in 0.6-1.1 Gyr. We are viewing the peak epoch of star formation for these protocluster galaxies. However, it appears that extinction of H{alpha} is much greater (up to a factor of 40) in the two ULIRG HAEs compared to the Spiderweb. This may be attributed to different spatial distributions of star formation-nuclear star formation in the HAEs versus extended star formation in accreting satellite galaxies in the Spiderweb. We find extremely luminous mid-IR rotational line emission from warm molecular hydrogen in the Spiderweb Galaxy, with L(H{sub 2} 0-0 S(3)) = 1.4 Multiplication-Sign 10{sup 44} erg s{sup -1} (3.7 Multiplication-Sign 10{sup 10} L{sub Sun }), {approx}20 times more luminous than any previously known H{sub 2} emission galaxy (MOHEG). Depending on the temperature, this corresponds to a very large mass of >9 Multiplication-Sign 10{sup 6}-2 Multiplication-Sign 10{sup 9} M{sub Sun} of T > 300 K molecular gas, which may be heated by the PKS 1138-26 radio jet, acting to quench nuclear star formation. There is >8 times more warm H{sub 2} at these temperatures in the Spiderweb than what has been seen in low-redshift (z < 0.2) radio galaxies, indicating that the Spiderweb may have a larger reservoir of molecular gas than more evolved radio galaxies. This is the highest redshift galaxy yet in which warm molecular hydrogen has been directly detected.

  19. Catalytic nanoporous membranes

    DOE Patents [OSTI]

    Pellin, Michael J; Hryn, John N; Elam, Jeffrey W

    2013-08-27

    A nanoporous catalytic membrane which displays several unique features Including pores which can go through the entire thickness of the membrane. The membrane has a higher catalytic and product selectivity than conventional catalysts. Anodic aluminum oxide (AAO) membranes serve as the catalyst substrate. This substrate is then subjected to Atomic Layer Deposition (ALD), which allows the controlled narrowing of the pores from 40 nm to 10 nm in the substrate by deposition of a preparatory material. Subsequent deposition of a catalytic layer on the inner surfaces of the pores reduces pore sizes to less than 10 nm and allows for a higher degree of reaction selectivity. The small pore sizes allow control over which molecules enter the pores, and the flow-through feature can allow for partial oxidation of reactant species as opposed to complete oxidation. A nanoporous separation membrane, produced by ALD is also provided for use in gaseous and liquid separations. The membrane has a high flow rate of material with 100% selectivity. Also provided is a method for producing a catalytic membrane having flow-through pores and discreet catalytic clusters adhering to the inside surfaces of the pores.

  20. Molecular catalytic coal liquid conversion. Quarterly status...

    Office of Scientific and Technical Information (OSTI)

    The relationship between the turnover number of the catalyst and the reaction time was obtained. Other aromatic compounds such as toluene, n-butylbenzene, tetralin, o-xylene all ...

  1. Fluid-Bed Testing of Greatpoint Energy's Direct Oxygen Injection Catalytic

    Office of Scientific and Technical Information (OSTI)

    Gasification Process for Synthetic Natural Gas and Hydrogen Coproduction Year 6 - Activity 1.14 - Development of a National Center for Hydrogen Technology (Technical Report) | SciTech Connect Fluid-Bed Testing of Greatpoint Energy's Direct Oxygen Injection Catalytic Gasification Process for Synthetic Natural Gas and Hydrogen Coproduction Year 6 - Activity 1.14 - Development of a National Center for Hydrogen Technology Citation Details In-Document Search Title: Fluid-Bed Testing of Greatpoint

  2. Fluid-Bed Testing of Greatpoint Energy's Direct Oxygen Injection Catalytic

    Office of Scientific and Technical Information (OSTI)

    Gasification Process for Synthetic Natural Gas and Hydrogen Coproduction Year 6 - Activity 1.14 - Development of a National Center for Hydrogen Technology (Technical Report) | SciTech Connect Fluid-Bed Testing of Greatpoint Energy's Direct Oxygen Injection Catalytic Gasification Process for Synthetic Natural Gas and Hydrogen Coproduction Year 6 - Activity 1.14 - Development of a National Center for Hydrogen Technology Citation Details In-Document Search Title: Fluid-Bed Testing of Greatpoint

  3. Catalytic conversion of LPG

    SciTech Connect (OSTI)

    Pujado, P.R.; Vora, B.V.; Mowry, J.R.; Anderson, R.F.

    1986-01-01

    The low reactivity of light paraffins has long hindered their utilization as petrochemical feedstocks. Except for their use in ethylene crackers, LPG fractions have traditionally been consumed as fuel. New catalytic processes now being commercialized open new avenues for the utilization of LPG as sources of valuable petrochemical intermediates. This paper discusses processes for the dehydrogenation and aromatization of LPG.

  4. Hydrogen-donor coal liquefaction process

    DOE Patents [OSTI]

    Wilson, Jr., Edward L.; Mitchell, Willard N.

    1980-01-01

    Improved liquid yields are obtained during the hydrogen-donor solvent liquefaction of coal and similar carbonaceous solids by maintaining a higher concentration of material having hydrogenation catalytic activity in the downstream section of the liquefaction reactor system than in the upstream section of the system.

  5. Catalytic coal hydroliquefaction process

    DOE Patents [OSTI]

    Garg, Diwakar (Macungie, PA)

    1984-01-01

    A process is described for the liquefaction of coal in a hydrogen donor solvent in the presence of hydrogen and a co-catalyst combination of iron and a Group VI or Group VIII non-ferrous metal or compounds of the catalysts.

  6. Methanol Oxidative Dehydrogenation on Oxide Catalysts: Molecular and Dissociative Routes and Hydrogen Addition Energies as Descriptors of Reactivity

    SciTech Connect (OSTI)

    Deshlahra, Prashant; Iglesia, Enrique

    2014-11-13

    The oxidative dehydrogenation (ODH) of alkanols on oxide catalysts is generally described as involving H-abstraction from alkoxy species formed via OH dissociation. Kinetic and isotopic data cannot discern between such routes and those involving kinetically-relevant H-abstraction from undissociated alkanols. Here, we combine such experiments with theoretical estimates of activation energies and entropies to show that the latter molecular routes prevail over dissociative routes for methanol reactions on polyoxometalate (POM) clusters at all practical reaction temperatures. The stability of the late transition states that mediate H-abstraction depend predominantly on the stability of the OH bond formed, making H-addition energies (HAE) accurate and single-valued descriptors of reactivity. Density functional theory-derived activation energies depend linearly on HAE values at each O-atom location on clusters with a range of composition (H3PMo12, H4SiMo12, H3PW12, H4PV1Mo11, and H4PV1W11); both barriers and HAE values reflect the lowest unoccupied molecular orbital energy of metal centers that accept the electron and the protonation energy of O-atoms that accept the proton involved in the H-atom transfer. Bridging O-atoms form OH bonds that are stronger than those of terminal atoms and therefore exhibit more negative HAE values and higher ODH reactivity on all POM clusters. For each cluster composition, ODH turnover rates reflect the reactivity-averaged HAE of all accessible O-atoms, which can be evaluated for each cluster composition to provide a rigorous and accurate predictor of ODH reactivity for catalysts with known structure. These relations together with oxidation reactivity measurements can then be used to estimate HAE values and to infer plausible structures for catalysts with uncertain active site structures.

  7. Molecular beam epitaxy of GaNAs alloys with high As content for potential photoanode applications in hydrogen production

    SciTech Connect (OSTI)

    Novikov, S. V.; Staddon, C. R.; Foxon, C. T.; Yu, K. M.; Broesler, R.; Hawkridge, M.; Liliental-Weber, Z.; Walukiewicz, W.; Denlinger, J.; Demchenko, I.

    2009-10-06

    The authors have succeeded in growing GaN1?xAsx alloys over a large composition range (0 < x < 0.8) by plasma-assisted molecular beam epitaxy. The enhanced incorporation of As was achieved by growing the films with high As{sub 2} flux at low (as low as 100 C) growth temperatures, which is much below the normal GaN growth temperature range. Using x-ray and transmission electron microscopy, they found that the GaNAs alloys with high As content x > 0.17 are amorphous. Optical absorption measurements together with x-ray absorption and emission spectroscopy results reveal a continuous gradual decrease in band gap from -3.4 to < 1 eV with increasing As content. The energy gap reaches its minimum of -0.8 eV at x - 0.8. The composition dependence of the band gap of the crystalline GaN{sub 1?x}As{sub x} alloys follows the prediction of the band anticrossing model (BAC). However, our measured band gap of amorphous GaN{sub 1?x}As{sub x} with 0.3 < x < 0.8 are larger than that predicted by BAC. The results seem to indicate that for this composition range the amorphous GaN{sub 1?x}As{sub x} alloys have short-range ordering that resembles random crystalline GaN{sub 1?x}As{sub x} alloys. They have demonstrated the possibility of the growth of amorphous GaN{sub 1?x}As{sub x} layers with variable As content on glass substrates

  8. Concentric catalytic combustor

    DOE Patents [OSTI]

    Bruck, Gerald J.; Laster, Walter R.

    2009-03-24

    A catalytic combustor (28) includes a tubular pressure boundary element (90) having a longitudinal flow axis (e.g., 56) separating a first portion (94) of a first fluid flow (e.g., 24) from a second portion (95) of the first fluid flow. The pressure boundary element includes a wall (96) having a plurality of separate longitudinally oriented flow paths (98) annularly disposed within the wall and conducting respective portions (100, 101) of a second fluid flow (e.g., 26) therethrough. A catalytic material (32) is disposed on a surface (e.g., 102, 103) of the pressure boundary element exposed to at least one of the first and second portions of the first fluid flow.

  9. Catalytic thermal barrier coatings

    DOE Patents [OSTI]

    Kulkarni, Anand A.; Campbell, Christian X.; Subramanian, Ramesh

    2009-06-02

    A catalyst element (30) for high temperature applications such as a gas turbine engine. The catalyst element includes a metal substrate such as a tube (32) having a layer of ceramic thermal barrier coating material (34) disposed on the substrate for thermally insulating the metal substrate from a high temperature fuel/air mixture. The ceramic thermal barrier coating material is formed of a crystal structure populated with base elements but with selected sites of the crystal structure being populated by substitute ions selected to allow the ceramic thermal barrier coating material to catalytically react the fuel-air mixture at a higher rate than would the base compound without the ionic substitutions. Precious metal crystallites may be disposed within the crystal structure to allow the ceramic thermal barrier coating material to catalytically react the fuel-air mixture at a lower light-off temperature than would the ceramic thermal barrier coating material without the precious metal crystallites.

  10. Catalytic nanoporous membranes

    DOE Patents [OSTI]

    Pellin, Michael J.; Hryn, John N.; Elam, Jeffrey W.

    2009-12-01

    A nanoporous catalytic membrane which displays several unique features including pores which can go through the entire thickness of the membrane. The membrane has a higher catalytic and product selectivity than conventional catalysts. Anodic aluminum oxide (AAO) membranes serve as the catalyst substrate. This substrate is then subjected to Atomic Layer Deposition (ALD), which allows the controlled narrowing of the pores from 40 nm to 10 nm in the substrate by deposition of a preparatory material. Subsequent deposition of a catalytic layer on the inner surfaces of the pores reduces pore sizes to less than 10 nm and allows for a higher degree of reaction selectivity. The small pore sizes allow control over which molecules enter the pores, and the flow-through feature can allow for partial oxidation of reactant species as opposed to complete oxidation. A nanoporous separation membrane, produced by ALD is also provided for use in gaseous and liquid separations. The membrane has a high flow rate of material with 100% selectivity.

  11. Catalytic reforming methods

    DOE Patents [OSTI]

    Tadd, Andrew R; Schwank, Johannes

    2013-05-14

    A catalytic reforming method is disclosed herein. The method includes sequentially supplying a plurality of feedstocks of variable compositions to a reformer. The method further includes adding a respective predetermined co-reactant to each of the plurality of feedstocks to obtain a substantially constant output from the reformer for the plurality of feedstocks. The respective predetermined co-reactant is based on a C/H/O atomic composition for a respective one of the plurality of feedstocks and a predetermined C/H/O atomic composition for the substantially constant output.

  12. Novel Catalytic Membrane Reactors

    SciTech Connect (OSTI)

    Stuart Nemser, PhD

    2010-10-01

    There are many industrial catalytic organic reversible reactions with amines or alcohols that have water as one of the products. Many of these reactions are homogeneously catalyzed. In all cases removal of water facilitates the reaction and produces more of the desired chemical product. By shifting the reaction to right we produce more chemical product with little or no additional capital investment. Many of these reactions can also relate to bioprocesses. Given the large number of water-organic compound separations achievable and the ability of the Compact Membrane Systems, Inc. (CMS) perfluoro membranes to withstand these harsh operating conditions, this is an ideal demonstration system for the water-of-reaction removal using a membrane reactor. Enhanced reaction synthesis is consistent with the DOE objective to lower the energy intensity of U.S. industry 25% by 2017 in accord with the Energy Policy Act of 2005 and to improve the United States manufacturing competitiveness. The objective of this program is to develop the platform technology for enhancing homogeneous catalytic chemical syntheses.

  13. Purdue Hydrogen Systems Laboratory

    SciTech Connect (OSTI)

    Jay P Gore; Robert Kramer; Timothee L Pourpoint; P. V. Ramachandran; Arvind Varma; Yuan Zheng

    2011-12-28

    The Hydrogen Systems Laboratory in a unique partnership between Purdue University's main campus in West Lafayette and the Calumet campus was established and its capabilities were enhanced towards technology demonstrators. The laboratory engaged in basic research in hydrogen production and storage and initiated engineering systems research with performance goals established as per the USDOE Hydrogen, Fuel Cells, and Infrastructure Technologies Program. In the chemical storage and recycling part of the project, we worked towards maximum recycling yield via novel chemical selection and novel recycling pathways. With the basic potential of a large hydrogen yield from AB, we used it as an example chemical but have also discovered its limitations. Further, we discovered alternate storage chemicals that appear to have advantages over AB. We improved the slurry hydrolysis approach by using advanced slurry/solution mixing techniques. We demonstrated vehicle scale aqueous and non-aqueous slurry reactors to address various engineering issues in on-board chemical hydrogen storage systems. We measured the thermal properties of raw and spent AB. Further, we conducted experiments to determine reaction mechanisms and kinetics of hydrothermolysis in hydride-rich solutions and slurries. We also developed a continuous flow reactor and a laboratory scale fuel cell power generation system. The biological hydrogen production work summarized as Task 4.0 below, included investigating optimal hydrogen production cultures for different substrates, reducing the water content in the substrate, and integrating results from vacuum tube solar collector based pre and post processing tests into an enhanced energy system model. An automated testing device was used to finalize optimal hydrogen production conditions using statistical procedures. A 3 L commercial fermentor (New Brunswick, BioFlo 115) was used to finalize testing of larger samples and to consider issues related to scale up. Efforts continued to explore existing catalytic methods involving nano catalysts for capture of CO2 from the fermentation process.

  14. Hydrogen sensor

    DOE Patents [OSTI]

    Duan, Yixiang; Jia, Quanxi; Cao, Wenqing

    2010-11-23

    A hydrogen sensor for detecting/quantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces light emission from excited hydrogen. A power supply provides power to the microplasma generator, and a spectrometer generates an emission spectrum from the light emission. A programmable computer is adapted for determining whether or not the gas sample includes hydrogen, and for quantitating the amount of hydrogen and/or hydrogen isotopes are present in the gas sample.

  15. Ultra Low NOx Catalytic Combustion for IGCC Power Plants

    SciTech Connect (OSTI)

    Shahrokh Etemad; Benjamin Baird; Sandeep Alavandi; William Pfefferle

    2008-03-31

    In order to meet DOE's goals of developing low-emissions coal-based power systems, PCI has further developed and adapted it's Rich-Catalytic Lean-burn (RCL{reg_sign}) catalytic reactor to a combustion system operating on syngas as a fuel. The technology offers ultra-low emissions without the cost of exhaust after-treatment, with high efficiency (avoidance of after-treatment losses and reduced diluent requirements), and with catalytically stabilized combustion which extends the lower Btu limit for syngas operation. Tests were performed in PCI's sub-scale high-pressure (10 atm) test rig, using a two-stage (catalytic then gas-phase) combustion process for syngas fuel. In this process, the first stage consists of a fuel-rich mixture reacting on a catalyst with final and excess combustion air used to cool the catalyst. The second stage is a gas-phase combustor, where the air used for cooling the catalyst mixes with the catalytic reactor effluent to provide for final gas-phase burnout and dilution to fuel-lean combustion products. During testing, operating with a simulated Tampa Electric's Polk Power Station syngas, the NOx emissions program goal of less than 0.03 lbs/MMBtu (6 ppm at 15% O{sub 2}) was met. NOx emissions were generally near 0.01 lbs/MMBtu (2 ppm at 15% O{sub 2}) (PCI's target) over a range on engine firing temperatures. In addition, low emissions were shown for alternative fuels including high hydrogen content refinery fuel gas and low BTU content Blast Furnace Gas (BFG). For the refinery fuel gas increased resistance to combustor flashback was achieved through preferential consumption of hydrogen in the catalytic bed. In the case of BFG, stable combustion for fuels as low as 88 BTU/ft{sup 3} was established and maintained without the need for using co-firing. This was achieved based on the upstream catalytic reaction delivering a hotter (and thus more reactive) product to the flame zone. The PCI catalytic reactor was also shown to be active in ammonia reduction in fuel allowing potential reductions in the burner NOx production. These reductions of NOx emissions and expanded alternative fuel capability make the rich catalytic combustor uniquely situated to provide reductions in capital costs through elimination of requirements for SCR, operating costs through reduction in need for NOx abating dilution, SCR operating costs, and need for co-firing fuels allowing use of lower value but more available fuels, and efficiency of an engine through reduction in dilution flows.

  16. Plasma-assisted catalytic ionization using porous nickel plate

    SciTech Connect (OSTI)

    Oohara, W.; Maeda, T.; Higuchi, T.

    2011-09-15

    Hydrogen atomic pair ions, i.e., H{sup +} and H{sup -} ions, are produced by plasma-assisted catalytic ionization using a porous nickel plate. Positive ions in a hydrogen plasma generated by dc arc discharge are irradiated to the porous plate, and pair ions are produced from the back of the irradiation plane. It becomes clear that the production quantity of pair ions mainly depends on the irradiation current of positive ions and the irradiation energy affects the production efficiency of H{sup -} ions.

  17. Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic

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

    Reduction Materials, and Development of Zeolite-Based Hydrocarbon AdsorberMaterials | Department of Energy 11 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon ace055_peden_2011_o.pdf More Documents & Publications Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials Deactivation Mechanisms of Base Metal/Zeolite Urea

  18. Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic

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

    Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials | Department of Energy 12 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon ace055_peden_2012_o.pdf More Documents & Publications Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials Deactivation Mechanisms of Base Metal/Zeolite

  19. Hydrogenation apparatus

    DOE Patents [OSTI]

    Friedman, Joseph (Encino, CA); Oberg, Carl L. (Canoga Park, CA); Russell, Larry H. (Agoura, CA)

    1981-01-01

    Hydrogenation reaction apparatus comprising a housing having walls which define a reaction zone and conduits for introducing streams of hydrogen and oxygen into the reaction zone, the oxygen being introduced into a central portion of the hydrogen stream to maintain a boundary layer of hydrogen along the walls of the reaction zone. A portion of the hydrogen and all of the oxygen react to produce a heated gas stream having a temperature within the range of from 1100.degree. to 1900.degree. C., while the boundary layer of hydrogen maintains the wall temperature at a substantially lower temperature. The heated gas stream is introduced into a hydrogenation reaction zone and provides the source of heat and hydrogen for a hydrogenation reaction. There also is provided means for quenching the products of the hydrogenation reaction. The present invention is particularly suitable for the hydrogenation of low-value solid carbonaceous materials to provide high yields of more valuable liquid and gaseous products.

  20. A highly-active and stable hydrogen evolution catalyst based on pyrite-structured cobalt phosphosulfide

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

    Liu, Wen; Hu, Enyuan; Jiang, Hong; Xiang, Yingjie; Weng, Zhe; Li, Min; Fan, Qi; Yu, Xiqian; Altman, Eric I.; Wang, Hailiang

    2016-02-19

    Rational design and controlled synthesis of hybrid structures comprising multiple components with distinctive functionalities are an intriguing and challenging approach to materials development for important energy applications like electrocatalytic hydrogen production, where there is a great need for cost effective, active and durable catalyst materials to replace the precious platinum. Here we report a structure design and sequential synthesis of a highly active and stable hydrogen evolution electrocatalyst material based on pyrite-structured cobalt phosphosulfide nanoparticles grown on carbon nanotubes. The three synthetic steps in turn render electrical conductivity, catalytic activity and stability to the material. The hybrid material exhibits superiormore » activity for hydrogen evolution, achieving current densities of 10 mA cm–2 and 100 mA cm–2 at overpotentials of 48 mV and 109 mV, respectively. Lastly, phosphorus substitution is crucial for the chemical stability and catalytic durability of the material, the molecular origins of which are uncovered by X-ray absorption spectroscopy and computational simulation.« less

  1. The hydrogenation of acetylene catalyzed by palladium: Hydrogen pressure dependence

    SciTech Connect (OSTI)

    Molero, H.; Bartlett, B.F.; Tysoe, W.T.

    1999-01-01

    The kinetics of acetylene hydrogenation catalyzed by a clean palladium foil at high pressures are measured and yield an activation energy of 9.6 {+-} 0.1 kcal/mol when using hydrogen. The rate exhibits a deuterium isotope effect such that the reaction activation energy is 9.0 {+-} 0.2 kcal/mol for reaction with deuterium. The hydrogen pressure reaction order is 1.04 {+-} 0.02 at 300 K with an acetylene pressure of 100 Torr and the acetylene order is {minus}0.66 at 300 K and with a hydrogen pressure of 100 Torr. These reaction kinetics closely mimic those of supported model catalysts. In addition, it is found that the rate of benzene formation is accelerated by the addition of hydrogen to the reaction mixture. This is rationalized by proposing that hydrogen enhances the coverage of acetylene under catalytic conditions. This notion can be used to successfully calculate the hydrogen pressure dependence for acetylene hydrogenation as a function of temperature, a value which varies between {approximately}1.05 and 1.3 as the temperature changes from 300 to 380 K. Possible origins for this effect are discussed.

  2. Catalytic Solutions Inc CSI | Open Energy Information

    Open Energy Info (EERE)

    Place: Oxnard, California Zip: 93033 Product: Developer of the breakthrough catalytic coating technology and the Mixed Phase Catalyst (MPCTM), and also manufacturer of catalytic...

  3. Degradation Mechanisms of Urea Selective Catalytic Reduction...

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

    Technology Degradation Mechanisms of Urea Selective Catalytic Reduction Technology Deactivation Mechanisms of Base MetalZeolite Urea Selective Catalytic Reduction Materials

  4. Bifunctional Catalysts for the Selective Catalytic Reduction...

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

    Publications Bifunctional Catalysts for the Selective Catalytic Reduction of NO by Hydrocarbons Selectlive Catalytic Reducution of NOx wilth Diesel-Based Fuels as Reductants...

  5. DOE Science Showcase - Hydrogen Production | OSTI, US Dept of Energy,

    Office of Scientific and Technical Information (OSTI)

    Office of Scientific and Technical Information Hydrogen Production Hydrogen Research in DOE Databases Energy Citations Database Information Bridge Science.gov WorldWideScience.org More information Making molecular hydrogen more efficiently Breaking Up (Hydrogen) No Longer As Hard To Do Hydrogen and Our Energy Future Fuel Cell Animation Hydrogen & Fuel Cells Increase your Hydrogen IQ Visit the Science Showcase homepage. Last updated on Monday 29 July

  6. Catalytic cartridge SO.sub.3 decomposer

    DOE Patents [OSTI]

    Galloway, Terry R. (Berkeley, CA)

    1982-01-01

    A catalytic cartridge surrounding a heat pipe driven by a heat source is utilized as a SO.sub.3 decomposer for thermochemical hydrogen production. The cartridge has two embodiments, a cross-flow cartridge and an axial flow cartridge. In the cross-flow cartridge, SO.sub.3 gas is flowed through a chamber and incident normally to a catalyst coated tube extending through the chamber, the catalyst coated tube surrounding the heat pipe. In the axial-flow cartridge, SO.sub.3 gas is flowed through the annular space between concentric inner and outer cylindrical walls, the inner cylindrical wall being coated by a catalyst and surrounding the heat pipe. The modular cartridge decomposer provides high thermal efficiency, high conversion efficiency, and increased safety.

  7. Catalytic cartridge SO.sub.3 decomposer

    DOE Patents [OSTI]

    Galloway, Terry R. (Berkeley, CA)

    1982-01-01

    A catalytic cartridge internally heated is utilized as a SO.sub.3 decomposer for thermochemical hydrogen production. The cartridge has two embodiments, a cross-flow cartridge and an axial flow cartridge. In the cross-flow cartridge, SO.sub.3 gas is flowed through a chamber and incident normally to a catalyst coated tube extending through the chamber, the catalyst coated tube being internally heated. In the axial-flow cartridge, SO.sub.3 gas is flowed through the annular space between concentric inner and outer cylindrical walls, the inner cylindrical wall being coated by a catalyst and being internally heated. The modular cartridge decomposer provides high thermal efficiency, high conversion efficiency, and increased safety.

  8. Catalytic cartridge SO/sub 3/ decomposer

    DOE Patents [OSTI]

    Galloway, T.R.

    1980-11-18

    A catalytic cartridge surrounding a heat pipe driven by a heat source is utilized as a SO/sub 3/ decomposer for thermochemical hydrogen production. The cartridge has two embodiments, a cross-flow cartridge and an axial flow cartridge. In the cross-flow cartridge, SO/sub 3/ gas is flowed through a chamber and incident normally to a catalyst coated tube extending through the chamber, the catalyst coated tube surrounding the heat pipe. In the axial-flow cartridge, SO/sub 3/ gas is flowed through the annular space between concentric inner and outer cylindrical walls, the inner cylindrical wall being coated by a catalyst and surrounding the heat pipe. The modular cartridge decomposer provides high thermal efficiency, high conversion efficiency, and increased safety. A fusion reactor may be used as the heat source.

  9. Fabrication of Carbon-Platinum Interdigitated Array Electrodes and Their Application for Investigating Homogeneous Hydrogen Evolution Catalysis

    SciTech Connect (OSTI)

    Liu, Fei; Divan, Ralu; Parkinson, Bruce A.

    2015-06-29

    Carbon interdigitated array (IDA) electrodes have been applied to study the homogeneous hydrogen evolution electrocatalyst [Ni(PPh2NBn2)2]2+ (where PPh2NBn2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane). The existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. The currents on IDA electrodes for an EC (electron transfer reaction followed by a catalytic reaction) mechanism are derived from the number of redox cycles and the contribution of non-catalytic currents. The catalytic reaction rate constant was then extracted from the IDA current equations. Applying the IDA current and kinetic equations to the electrochemical response of the [Ni(PPh2NBn2)2]2+ catalyst yielded a rate constant of 0.10 s-1 for the hydrogen evolution reaction that agrees with the literature value. The quantitative analysis of IDA cyclic voltammetry can be used as a simple and straightforward method for determining rate constants in other catalytic systems. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for DOE. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.

  10. Catalytic multi-stage process for hydroconversion and refining hydrocarbon feeds

    DOE Patents [OSTI]

    Comolli, Alfred G.; Lee, Lap-Keung

    2001-01-01

    A multi-stage catalytic hydrogenation and hydroconversion process for heavy hydrocarbon feed materials such as coal, heavy petroleum fractions, and plastic waste materials. In the process, the feedstock is reacted in a first-stage, back-mixed catalytic reactor with a highly dispersed iron-based catalyst having a powder, gel or liquid form. The reactor effluent is pressure-reduced, vapors and light distillate fractions are removed overhead, and the heavier liquid fraction is fed to a second stage back-mixed catalytic reactor. The first and second stage catalytic reactors are operated at 700-850.degree. F. temperature, 1000-3500 psig hydrogen partial pressure and 20-80 lb./hr per ft.sup.3 reactor space velocity. The vapor and light distillates liquid fractions removed from both the first and second stage reactor effluent streams are combined and passed to an in-line, fixed-bed catalytic hydrotreater for heteroatom removal and for producing high quality naphtha and mid-distillate or a full-range distillate product. The remaining separator bottoms liquid fractions are distilled at successive atmospheric and vacuum pressures, low and intermediate-boiling hydrocarbon liquid products are withdrawn, and heavier distillate fractions are recycled and further upgraded to provide additional low-boiling hydrocarbon liquid products. This catalytic multistage hydrogenation process provides improved flexibility for hydroprocessing the various carbonaceous feedstocks and adjusting to desired product structures and for improved economy of operations.

  11. Coal liquefaction and hydrogenation: Processes and equipment. (Latest citations from the US Patent database). Published Search

    SciTech Connect (OSTI)

    Not Available

    1993-07-01

    The bibliography contains citations of selected patents concerning methods, processes, and apparatus for coal liquefaction and hydrogenation. Included are patents for catalytic two-stage, catalytic single-step, fixed-bed, hydrogen-donor, internal heat transfer, and multi-phase processes. Topics also include catalyst production, catalyst recovery, desulfurization, pretreatment of coals, energy recovery processes, solvent product separation, hydrogenating gases, and pollution control. (Contains 250 citations and includes a subject term index and title list.)

  12. Oxidation of hydrogen halides to elemental halogens

    DOE Patents [OSTI]

    Rohrmann, Charles A. (Kennewick, WA); Fullam, Harold T. (Richland, WA)

    1985-01-01

    A process for oxidizing hydrogen halides having substantially no sulfur impurities by means of a catalytically active molten salt is disclosed. A mixture of the subject hydrogen halide and an oxygen bearing gas is contacted with a molten salt containing an oxidizing catalyst and alkali metal normal sulfates and pyrosulfates to produce an effluent gas stream rich in the elemental halogen and substantially free of sulfur oxide gases.

  13. Catalytic oxidative dehydrogenation process

    DOE Patents [OSTI]

    Schmidt, Lanny D.; Huff, Marylin

    2002-01-01

    A process for the production of a mono-olefin from a gaseous paraffinic hydrocarbon having at least two carbon atoms or mixtures thereof comprising reacting said hydrocarbons and molecular oxygen in the presence of a platinum catalyst. The catalyst consist essentially of platinum supported on alumina or zirconia monolith, preferably zirconia and more preferably in the absence of palladium, rhodium and gold.

  14. Molecular Supermarket: Streamlining Aisle Design | The Ames Laboratory

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

    Molecular Supermarket: Streamlining Aisle Design New research provides insight into design guidelines for the ideal pore width in nanoporous catalytic materials. Nanoporous ...

  15. Hydrogen sensor (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Hydrogen sensor Title: Hydrogen sensor A hydrogen sensor for detectingquantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites ...

  16. Hydrogen Analysis

    Broader source: Energy.gov [DOE]

    Presentation on Hydrogen Analysis to the DOE Systems Analysis Workshop held in Washington, D.C. July 28-29, 2004 to discuss and define role of systems analysis in DOE Hydrogen Program.

  17. Hydrogen Safety

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet, intended for a non-technical audience, explains the basic properties of hydrogen and provides an overview of issues related to the safe use of hydrogen as an energy carrier.

  18. Hydrogen Storage

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet provides a brief introduction to hydrogen storage technologies. Intended for a non-technical audience, it explains the different ways in which hydrogen can be stored, as well a

  19. Hydrogen Production

    SciTech Connect (OSTI)

    2014-09-01

    This 2-page fact sheet provides a brief introduction to hydrogen production technologies. Intended for a non-technical audience, it explains how different resources and processes can be used to produce hydrogen. It includes an overview of research goals as well as “quick facts” about hydrogen energy resources and production technologies.

  20. Comparison of Water-Hydrogen Catalytic Exchange Processes vs...

    Office of Environmental Management (EM)

    SC 6 * Most of the heavy water produced during WW II was by water distillation. * DuPont built heavy water production facilities at: - Morgantown Ordnance Works, near ...

  1. Comparison of Water-Hydrogen Catalytic Exchange Processes Versus Water

    Office of Environmental Management (EM)

    Common Air Conditioner Problems Common Air Conditioner Problems A refrigerant leak is one common air conditioning problem. | Photo courtesy of ©iStockphoto/BanksPhotos. A refrigerant leak is one common air conditioning problem. | Photo courtesy of ©iStockphoto/BanksPhotos. One of the most common air conditioning problems is improper operation. If your air conditioner is on, be sure to close your home's windows and outside doors. For room air conditioners, isolate the room or a group of

  2. Understanding How Surface Morphology and Hydrogen Dissolution Influence Ethylene Hydrogenation on Palladium

    SciTech Connect (OSTI)

    Dohnalek, Zdenek; Kim, Jooho; Kay, Bruce D.

    2008-10-09

    Ethylene hydrogenation is a prototypical reaction for catalytic hydrogenation of unsaturated hydrocarbons and as such it has been studied on a number of metals. On single crystalline Pd(111), Pd(110), and Pd(100) surfaces this reaction has been shown to be structure insensitive and to occur with extremely low yield (0.1%) (refs). Recent studies on support4ed Pd particles showed an approximately 10-folded increase in the ethane yield per surface Pd atom which was attributed to the increased surface to bulk Pd ratio on the particles thereby giving rise to reduced sorption of hydrogen into the bulk. The enhanced concentration of surface hydrogen is believed to result in the observed increase in catalytic activity. Even on these nanoparticles the C2H6 yield is relatively low (~2%)(refs).

  3. Florida Hydrogen Initiative

    SciTech Connect (OSTI)

    Block, David L

    2013-06-30

    The Florida Hydrogen Initiative (FHI) was a research, development and demonstration hydrogen and fuel cell program. The FHI program objectives were to develop Florida?s hydrogen and fuel cell infrastructure and to assist DOE in its hydrogen and fuel cell activities The FHI program funded 12 RD&D projects as follows: Hydrogen Refueling Infrastructure and Rental Car Strategies -- L. Lines, Rollins College This project analyzes strategies for Florida's early stage adaptation of hydrogen-powered public transportation. In particular, the report investigates urban and statewide network of refueling stations and the feasibility of establishing a hydrogen rental-car fleet based in Orlando. Methanol Fuel Cell Vehicle Charging Station at Florida Atlantic University ? M. Fuchs, EnerFuel, Inc. The project objectives were to design, and demonstrate a 10 kWnet proton exchange membrane fuel cell stationary power plant operating on methanol, to achieve an electrical energy efficiency of 32% and to demonstrate transient response time of less than 3 milliseconds. Assessment of Public Understanding of the Hydrogen Economy Through Science Center Exhibits, J. Newman, Orlando Science Center The project objective was to design and build an interactive Science Center exhibit called: ?H2Now: the Great Hydrogen Xchange?. On-site Reformation of Diesel Fuel for Hydrogen Fueling Station Applications ? A. Raissi, Florida Solar Energy Center This project developed an on-demand forecourt hydrogen production technology by catalytically converting high-sulfur hydrocarbon fuels to an essentially sulfur-free gas. The removal of sulfur from reformate is critical since most catalysts used for the steam reformation have limited sulfur tolerance. Chemochromic Hydrogen Leak Detectors for Safety Monitoring ? N. Mohajeri and N. Muradov, Florida Solar Energy Center This project developed and demonstrated a cost-effective and highly selective chemochromic (visual) hydrogen leak detector for safety monitoring at any facility engaged in transport, handling and use of hydrogen. Development of High Efficiency Low Cost Electrocatalysts for Hydrogen Production and PEM Fuel Cell Applications ? M. Rodgers, Florida Solar Energy Center The objective of this project was to decrease platinum usage in fuel cells by conducting experiments to improve catalyst activity while lowering platinum loading through pulse electrodeposition. Optimum values of several variables during electrodeposition were selected to achieve the highest electrode performance, which was related to catalyst morphology. Understanding Mechanical and Chemical Durability of Fuel Cell Membrane Electrode Assemblies ? D. Slattery, Florida Solar Energy Center The objective of this project was to increase the knowledge base of the degradation mechanisms for membranes used in proton exchange membrane fuel cells. The results show the addition of ceria (cerium oxide) has given durability improvements by reducing fluoride emissions by an order of magnitude during an accelerated durability test. Production of Low-Cost Hydrogen from Biowaste (HyBrTec?) ? R. Parker, SRT Group, Inc., Miami, FL This project developed a hydrogen bromide (HyBrTec?) process which produces hydrogen bromide from wet-cellulosic waste and co-produces carbon dioxide. Eelectrolysis dissociates hydrogen bromide producing recyclable bromine and hydrogen. A demonstration reactor and electrolysis vessel was designed, built and operated. Development of a Low-Cost and High-Efficiency 500 W Portable PEMFC System ? J. Zheng, Florida State University, H. Chen, Bing Energy, Inc. The objectives of this project were to develop a new catalyst structures comprised of highly conductive buckypaper and Pt catalyst nanoparticles coated on its surface and to demonstrate fuel cell efficiency improvement and durability and cell cost reductions in the buckypaper based electrodes. Development of an Interdisciplinary Hydrogen and Fuel Cell Technology Academic Program ? J. Politano, Florida Institute of Technology, Melbourne, FL This project developed a hydrogen and fuel cell technology academic program at Florida Institute of Technology in Melbourne, Florida. Design and Development of an Advanced Hydrogen Storage System using Novel Materials ? E. Stefanakos, University of South Florida The goal of this project was to design and develop novel conducting polymeric nanomaterials for on-board hydrogen storage. The project approach was to examine synthesis of polyaniline solid state hydrogen storage materials. Advanced HiFoil ? Bipolar Plates ? J. Braun, M. Fuchs, EnerFuel, Inc. The goal of this project was to provide a durable, low cost bipolar plate for high temperature proton exchange membrane fuel cells. The project results produced a durable, low cost bipolar plate with very high in-plane thermal conductivity.

  4. Hydrogenation apparatus

    DOE Patents [OSTI]

    Friedman, J.; Oberg, C. L.; Russell, L. H.

    1981-06-23

    Hydrogenation reaction apparatus is described comprising a housing having walls which define a reaction zone and conduits for introducing streams of hydrogen and oxygen into the reaction zone, the oxygen being introduced into a central portion of the hydrogen stream to maintain a boundary layer of hydrogen along the walls of the reaction zone. A portion of the hydrogen and all of the oxygen react to produce a heated gas stream having a temperature within the range of from 1,100 to 1,900 C, while the boundary layer of hydrogen maintains the wall temperature at a substantially lower temperature. The heated gas stream is introduced into a hydrogenation reaction zone and provides the source of heat and hydrogen for a hydrogenation reaction. There also is provided means for quenching the products of the hydrogenation reaction. The present invention is particularly suitable for the hydrogenation of low-value solid carbonaceous materials to provide high yields of more valuable liquid and gaseous products. 2 figs.

  5. Enhanced Hydrogen Dipole Physisorption, Final Report

    SciTech Connect (OSTI)

    Ahn, Channing

    2014-01-03

    The hydrogen gas adsorption effort at Caltech was designed to probe and apply our understanding of known interactions between molecular hydrogen and adsorbent surfaces as part of a materials development effort to enable room temperature storage of hydrogen at nominal pressure. The work we have performed over the past five years has been tailored to address the outstanding issues associated with weak hydrogen sorbent interactions in order to find an adequate solution for storage tank technology.

  6. Catalytic production of metal carbonyls from metal oxides

    DOE Patents [OSTI]

    Sapienza, Richard S.; Slegeir, William A.; Foran, Michael T.

    1984-01-01

    This invention relates to the formation of metal carbonyls from metal oxides and specially the formation of molybdenum carbonyl and iron carbonyl from their respective oxides. Copper is used here in admixed form or used in chemically combined form as copper molybdate. The copper/metal oxide combination or combined copper is utilized with a solvent, such as toluene and subjected to carbon monoxide pressure of 25 atmospheres or greater at about 150.degree.-260.degree. C. The reducing metal copper is employed in catalytic concentrations or combined concentrations as CuMoO.sub.4 and both hydrogen and water present serve as promoters. It has been found that the yields by this process have been salutary and that additionally the catalytic metal may be reused in the process to good effect.

  7. Catalytic production of metal carbonyls from metal oxides

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; Foran, M.T.

    1984-01-06

    This invention relates to the formation of metal carbonyls from metal oxides and specially the formation of molybdenum carbonyl and iron carbonyl from their respective oxides. Copper is used here in admixed form or used in chemically combined form as copper molybdate. The copper/metal oxide combination or combined copper is utilized with a solvent, such as toluene and subjected to carbon monoxide pressure of 25 atmospheres or greater at about 150 to 260/sup 0/C. The reducing metal copper is employed in catalytic concentrations or combined concentrations as CuMoO/sub 4/ and both hydrogen and water present serve as promoters. It has been found that the yields by this process have been salutary and that additionally the catalytic metal may be reused in the process to good effect. 3 tables.

  8. Catalytic destruction of groundwater contaminants in reactive extraction wells

    DOE Patents [OSTI]

    McNab, Jr., Walt W.; Reinhard, Martin

    2002-01-01

    A system for remediating groundwater contaminated with halogenated solvents, certain metals and other inorganic species based on catalytic reduction reactions within reactive well bores. The groundwater treatment uses dissolved hydrogen as a reducing agent in the presence of a metal catalyst, such a palladium, to reduce halogenated solvents (as well as other substituted organic compounds) to harmless species (e.g., ethane or methane) and immobilize certain metals to low valence states. The reactive wells function by removing water from a contaminated water-bearing zone, treating contaminants with a well bore using catalytic reduction, and then reinjecting the treated effluent into an adjacent water-bearing zone. This system offers the advantages of a compact design with a minimal surface footprint (surface facilities) and the destruction of a broad suite of contaminants without generating secondary waste streams.

  9. HERSCHEL SURVEY OF GALACTIC OH{sup +}, H{sub 2}O{sup +}, AND H{sub 3}O{sup +}: PROBING THE MOLECULAR HYDROGEN FRACTION AND COSMIC-RAY IONIZATION RATE

    SciTech Connect (OSTI)

    Indriolo, Nick; Neufeld, D. A.; Gerin, M.; Falgarone, E.; Schilke, P.; Chambers, E. T.; Ossenkopf, V.; Benz, A. O.; Winkel, B.; Menten, K. M.; Black, John H.; Persson, C. M.; Bruderer, S.; Van Dishoeck, E. F.; Godard, B.; Lis, D. C.; Goicoechea, J. R.; Gupta, H.; Sonnentrucker, P.; Van der Tak, F. F. S.; and others

    2015-02-10

    In diffuse interstellar clouds the chemistry that leads to the formation of the oxygen-bearing ions OH{sup +}, H{sub 2}O{sup +}, and H{sub 3}O{sup +} begins with the ionization of atomic hydrogen by cosmic rays, and continues through subsequent hydrogen abstraction reactions involving H{sub 2}. Given these reaction pathways, the observed abundances of these molecules are useful in constraining both the total cosmic-ray ionization rate of atomic hydrogen (?{sub H}) and molecular hydrogen fraction (f{sub H{sub 2}}). We present observations targeting transitions of OH{sup +}, H{sub 2}O{sup +}, and H{sub 3}O{sup +} made with the Herschel Space Observatory along 20 Galactic sight lines toward bright submillimeter continuum sources. Both OH{sup +} and H{sub 2}O{sup +} are detected in absorption in multiple velocity components along every sight line, but H{sub 3}O{sup +} is only detected along 7 sight lines. From the molecular abundances we compute f{sub H{sub 2}} in multiple distinct components along each line of sight, and find a Gaussian distribution with mean and standard deviation 0.042 0.018. This confirms previous findings that OH{sup +} and H{sub 2}O{sup +} primarily reside in gas with low H{sub 2} fractions. We also infer ?{sub H} throughout our sample, and find a lognormal distribution with mean log (?{sub H}) = 15.75 (?{sub H} = 1.78 10{sup 16} s{sup 1}) and standard deviation 0.29 for gas within the Galactic disk, but outside of the Galactic center. This is in good agreement with the mean and distribution of cosmic-ray ionization rates previously inferred from H{sub 3}{sup +} observations. Ionization rates in the Galactic center tend to be 10-100times larger than found in the Galactic disk, also in accord with prior studies.

  10. Oxygen transport membrane system and method for transferring heat to catalytic/process reactors

    DOE Patents [OSTI]

    Kelly, Sean M.; Kromer, Brian R.; Litwin, Michael M.; Rosen, Lee J.; Christie, Gervase Maxwell; Wilson, Jamie R.; Kosowski, Lawrence W.; Robinson, Charles

    2016-01-19

    A method and apparatus for producing heat used in a synthesis gas production process is provided. The disclosed method and apparatus include a plurality of tubular oxygen transport membrane elements adapted to separate oxygen from an oxygen containing stream contacting the retentate side of the membrane elements. The permeated oxygen is combusted with a hydrogen containing synthesis gas stream contacting the permeate side of the tubular oxygen transport membrane elements thereby generating a reaction product stream and radiant heat. The present method and apparatus also includes at least one catalytic reactor containing a catalyst to promote the steam reforming reaction wherein the catalytic reactor is surrounded by the plurality of tubular oxygen transport membrane elements. The view factor between the catalytic reactor and the plurality of tubular oxygen transport membrane elements radiating heat to the catalytic reactor is greater than or equal to 0.5

  11. Oxygen transport membrane system and method for transferring heat to catalytic/process reactors

    DOE Patents [OSTI]

    Kelly, Sean M; Kromer, Brian R; Litwin, Michael M; Rosen, Lee J; Christie, Gervase Maxwell; Wilson, Jamie R; Kosowski, Lawrence W; Robinson, Charles

    2014-01-07

    A method and apparatus for producing heat used in a synthesis gas production is provided. The disclosed method and apparatus include a plurality of tubular oxygen transport membrane elements adapted to separate oxygen from an oxygen containing stream contacting the retentate side of the membrane elements. The permeated oxygen is combusted with a hydrogen containing synthesis gas stream contacting the permeate side of the tubular oxygen transport membrane elements thereby generating a reaction product stream and radiant heat. The present method and apparatus also includes at least one catalytic reactor containing a catalyst to promote the stream reforming reaction wherein the catalytic reactor is surrounded by the plurality of tubular oxygen transport membrane elements. The view factor between the catalytic reactor and the plurality of tubular oxygen transport membrane elements radiating heat to the catalytic reactor is greater than or equal to 0.5.

  12. Toward Molecular Catalysts by Computer

    SciTech Connect (OSTI)

    Raugei, Simone; DuBois, Daniel L.; Rousseau, Roger J.; Chen, Shentan; Ho, Ming-Hsun; Bullock, R. Morris; Dupuis, Michel

    2015-02-17

    Rational design of molecular catalysts requires a systematic approach to designing ligands with specific functionality and precisely tailored electronic and steric properties. It then becomes possible to devise computer protocols to predict accurately the required properties and ultimately to design catalysts by computer. In this account we first review how thermodynamic properties such as oxidation-reduction potentials (E0), acidities (pKa), and hydride donor abilities (ΔGH-) form the basis for a systematic design of molecular catalysts for reactions that are critical for a secure energy future (hydrogen evolution and oxidation, oxygen and nitrogen reduction, and carbon dioxide reduction). We highlight how density functional theory allows us to determine and predict these properties within “chemical” accuracy (~ 0.06 eV for redox potentials, ~ 1 pKa unit for pKa values, and ~ 1.5 kcal/mol for hydricities). These quantities determine free energy maps and profiles associated with catalytic cycles, i.e. the relative energies of intermediates, and help us distinguish between desirable and high-energy pathways and mechanisms. Good catalysts have flat profiles that avoid high activation barriers due to low and high energy intermediates. We illustrate how the criterion of a flat energy profile lends itself to the prediction of design points by computer for optimum catalysts. This research was carried out in the Center for Molecular Electro-catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory (PNNL) is operated for the DOE by Battelle.

  13. Hydrogen Scenarios

    Broader source: Energy.gov [DOE]

    Presentation by Frances Wood of OnLocation Inc. at the Joint Meeting on Hydrogen Delivery Modeling and Analysis, May 8-9, 2007

  14. Hydrogen Production

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

    ... Photoelectrochemical (PEC) Hydrogen can be produced directly from water using sunlight and a special class of semiconductor materials. These highly specialized semiconductors ...

  15. Hydrogen Liquefaction

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

    4-7 European Installations 4-6 Japanese Installations India Program ESA French Guiana (South America) 4 Satisfies ASME J-2719 (hydrogen fuel quality) ...

  16. Hydrogen desorption kinetics for aqueous hydrogen fluoride and remote hydrogen plasma processed silicon (001) surfaces

    SciTech Connect (OSTI)

    King, Sean W. Davis, Robert F.; Carter, Richard J.; Schneider, Thomas P.; Nemanich, Robert J.

    2015-09-15

    The desorption kinetics of molecular hydrogen (H{sub 2}) from silicon (001) surfaces exposed to aqueous hydrogen fluoride and remote hydrogen plasmas were examined using temperature programmed desorption. Multiple H{sub 2} desorption states were observed and attributed to surface monohydride (SiH), di/trihydride (SiH{sub 2/3}), and hydroxide (SiOH) species, subsurface hydrogen trapped at defects, and hydrogen evolved during the desorption of surface oxides. The observed surface hydride species were dependent on the surface temperature during hydrogen plasma exposure with mono, di, and trihydride species being observed after low temperature exposure (150 °C), while predominantly monohydride species were observed after higher temperature exposure (450 °C). The ratio of surface versus subsurface H{sub 2} desorption was also found to be dependent on the substrate temperature with 150 °C remote hydrogen plasma exposure generally leading to more H{sub 2} evolved from subsurface states and 450 °C exposure leading to more H{sub 2} desorption from surface SiH{sub x} species. Additional surface desorption states were observed, which were attributed to H{sub 2} desorption from Si (111) facets formed as a result of surface etching by the remote hydrogen plasma or aqueous hydrogen fluoride treatment. The kinetics of surface H{sub 2} desorption were found to be in excellent agreement with prior investigations of silicon surfaces exposed to thermally generated atomic hydrogen.

  17. Recent Advances in Catalytic Conversion of Ethanol to Chemicals

    SciTech Connect (OSTI)

    Sun, Junming; Wang, Yong

    2014-04-30

    With increased availability and decreased cost, ethanol is potentially a promising platform molecule for the production of a variety of value-added chemicals. In this review, we provide a detailed summary of recent advances in catalytic conversion of ethanol to a wide range of chemicals and fuels. We particularly focus on catalyst advances and fundamental understanding of reaction mechanisms involved in ethanol steam reforming (ESR) to produce hydrogen, ethanol conversion to hydrocarbons ranging from light olefins to longer chain alkenes/alkanes and aromatics, and ethanol conversion to other oxygenates including 1-butanol, acetaldehyde, acetone, diethyl ether, and ethyl acetate.

  18. Production and Engineering of Hydrogenase as a Biocatalyst for Hydrogen Fuel

    SciTech Connect (OSTI)

    Wang, Guangyi

    2010-04-09

    Hydrogenases are fascinating redox proteins, showing tremendous promise in the utilization of hydrogen fuel as a bioelectrocatalyst. They play critical roles in both biohydrogen production and hydrogen oxidation. Specifically, the recently-established comparability of the oxidative activity of the [NiFe]-hydrogenase active site to that of the fuel cell catalyst platinum marks a significant milestone for the potential application of hydrogenase in hydrogen fuel cells to replace platinum. However, the ability of producing hydrogenase in heterologous expression hosts and the sensitivity of hydrogenases to oxygen and carbon monoxide, etc. have seriously limited the viable macroscale utilization and production of hydrogen from the renewable source. A new technology for the production of up-take hydrogenase is being developed for the utilization of hydrogenase as a hydrogen catalyst. The development of this new technology integrates knowledge of structural biology, molecular biology, and principles of metabolic engineering to produce and engineer a stable hydrogenase as a hydrogen bioelectrocatalyst. It contributes to the critical issues of expensive noble metal catalysts (i.e., platinum) and their limited reserves threatening the long-term sustainability of a hydrogen economy. It also provides a model to design natural materials and enzyme catalyst for efficient and cost-effective technologies for a clean and sustainable energy in 21st century. This new technology includes 3 major components. The first component is the synthetic operons, which carry hydrogenase maturation pathways of Ralstonia eutropha. These synthetic operons are engineered to produce RH hydrogenase in the Escherichia coli strains based on our current molecular and genetic information of hydrogenase maturation mechanisms and pathways of R. eutropha. It presents the first example of producing hydrogenase in the conventional expression host using synthetic biology principles and tool kits. For the high-yield production of the hydrogenase, protein degradation pathways are altered to prevent hydrogenase degradation. This part of the new technology provides a frame work for the design of hydrogenase production pathways for desirable bioengineering purposes. The results of this work are significantly beneficial to research in the areas of enzyme fuel cells, bioelectrocatalyst production, and biohydrogen production as well as basic research in hydrogenase structure biology. The second component of the new technology includes the stable hydrogenase with the improved electrochemical and catalytic properties. With the guidance of the current information on [NiFe] hydrogenase structure, hydrogenase mutants and mutant libraries are generated using protein engineering approaches. The resulting mutants are screened for better hydrogenase stability and catalytic activities. This part of the research results in the identification of new hydrogenase mutants with improved catalytic properties, which can be used for the future studies on enzyme full cells and the catalytic mechanism of hydrogenase. The third component is the optimized production of the selected hydrogenase mutant using current fermentation and metabolic engineering strategies. Metabolic burdens and biomass is balanced using different induction conditions for the optimum production of the engineered hydrogenase in genetically engineered E. coli strains. The success of this work presents a good example of the application of modern fermentation technologies in bioelectrocatalyst production.

  19. Hydrogen | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen Jump to: navigation, search TODO: Add description Related Links List of Companies in Hydrogen Sector List of Hydrogen Incentives Hydrogen Energy Data Book Retrieved from...

  20. Hydrogen Bibliography

    SciTech Connect (OSTI)

    Not Available

    1991-12-01

    The Hydrogen Bibliography is a compilation of research reports that are the result of research funded over the last fifteen years. In addition, other documents have been added. All cited reports are contained in the National Renewable Energy Laboratory (NREL) Hydrogen Program Library.

  1. Catalytic two-stage coal liquefaction process having improved nitrogen removal

    DOE Patents [OSTI]

    Comolli, Alfred G.

    1991-01-01

    A process for catalytic multi-stage hydrogenation and liquefaction of coal to produce high yields of low-boiling hydrocarbon liquids containing low concentrations of nitogen compounds. First stage catalytic reaction conditions are 700.degree.-800.degree. F. temperature, 1500-3500 psig hydrogen partial pressure, with the space velocity maintained in a critical range of 10-40 lb coal/hr ft.sup.3 catalyst settled volume. The first stage catalyst has 0.3-1.2 cc/gm total pore volume with at least 25% of the pore volume in pores having diameters of 200-2000 Angstroms. Second stage reaction conditions are 760.degree.-870.degree. F. temperature with space velocity exceeding that in the first stage reactor, so as to achieve increased hydrogenation yield of low-boiling hydrocarbon liquid products having at least 75% removal of nitrogen compounds from the coal-derived liquid products.

  2. Mechanistic Insights into the Structure-Dependent Selectivity of Catalytic Furfural Conversion on Platinum Catalysts

    SciTech Connect (OSTI)

    Cai, Qiuxia; Wang, Jianguo; Wang, Yang-Gang; Mei, Donghai

    2015-11-01

    The effects of structure and size on the selectivity of catalytic furfural conversion over supported Pt catalysts in the presence of hydrogen have been studied using first principles density functional theory (DFT) calculations and microkinetic modeling. Four Pt model systems, i.e., periodic Pt(111), Pt(211) surfaces, as well as small nanoclusters (Pt13 and Pt55) are chosen to represent the terrace, step, and corner sites of Pt nanoparticles. Our DFT results show that the reaction routes for furfural hydrogenation and decarbonylation are strongly dependent on the type of reactive sites, which lead to the different selectivity. On the basis of the size-dependent site distribution rule, we correlate the site distributions as a function of the Pt particle size. Our microkinetic results indicate the critical particle size that controls the furfural selectivity is about 1.0 nm, which is in good agreement with the reported experimental value under reaction conditions. This work was supported by National Basic Research Program of China (973 Program) (2013CB733501) and the National Natural Science Foundation of China (NSFC-21306169, 21176221, 21136001, 21101137 and 91334103). This work was also partially supported by the US Department of Energy (DOE), the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOEs Office of Biological and Environmental Research.

  3. Hydrogen storage materials and method of making by dry homogenation

    DOE Patents [OSTI]

    Jensen, Craig M.; Zidan, Ragaiy A.

    2002-01-01

    Dry homogenized metal hydrides, in particular aluminum hydride compounds, as a material for reversible hydrogen storage is provided. The reversible hydrogen storage material comprises a dry homogenized material having transition metal catalytic sites on a metal aluminum hydride compound, or mixtures of metal aluminum hydride compounds. A method of making such reversible hydrogen storage materials by dry doping is also provided and comprises the steps of dry homogenizing metal hydrides by mechanical mixing, such as be crushing or ball milling a powder, of a metal aluminum hydride with a transition metal catalyst. In another aspect of the invention, a method of powering a vehicle apparatus with the reversible hydrogen storage material is provided.

  4. Synthesis of hydrogen-carbon clathrate material and hydrogen evolution therefrom at moderate temperatures and pressures

    DOE Patents [OSTI]

    Lueking, Angela; Narayanan, Deepa

    2011-03-08

    A process for making a hydrogenated carbon material is provided which includes forming a mixture of a carbon source, particularly a carbonaceous material, and a hydrogen source. The mixture is reacted under reaction conditions such that hydrogen is generated and/or released from the hydrogen source, an amorphous diamond-like carbon is formed, and at least a portion of the generated and/or released hydrogen associates with the amorphous diamond-like carbon, thereby forming a hydrogenated carbon material. A hydrogenated carbon material including a hydrogen carbon clathrate is characterized by evolution of molecular hydrogen at room temperature at atmospheric pressure in particular embodiments of methods and compositions according to the present invention.

  5. The Effects of Trace Contaminants on Catalytic Processing of Biomass-Derived Feedstocks

    SciTech Connect (OSTI)

    Elliott, Douglas C.; Peterson, Keith L.; Muzatko, Danielle S.; Alderson, Eric V.; Hart, Todd R.; Neuenschwander, Gary G.

    2004-03-25

    Trace components in biomass feedstocks are potential catalyst poisons when catalytically processing these materials to value-added chemical products. Trace components include inorganic elements such as alkali metals and alkaline earths, phosphorus or sulfur, aluminum or silicon, chloride, or transition metals. Protein components in biomass feedstocks can lead to formation of peptide fractions (from hydrolysis) or ammonium ions (from more severe breakdown) both of which might interfere with catalysis. The effects of these components on catalytic hydrogenation processing has been studied in batch reactor processing tests

  6. Hydrogen Production

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet provides a brief introduction to hydrogen production technologies. Intended for a non-technical audience, it explains how different resources and processes can be used to produ

  7. Simulation of hydrogen and hydrogen-assisted propane ignition in Pt catalyzed microchannel

    SciTech Connect (OSTI)

    Seshadri, Vikram; Kaisare, Niket S.

    2010-11-15

    This paper deals with self-ignition of catalytic microburners from ambient cold-start conditions. First, reaction kinetics for hydrogen combustion is validated with experimental results from the literature, followed by validation of a simplified pseudo-2D microburner model. The model is then used to study the self-ignition behavior of lean hydrogen/air mixtures in a Platinum-catalyzed microburner. Hydrogen combustion on Pt is a very fast reaction. During cold start ignition, hydrogen conversion reaches 100% within the first few seconds and the reactor dynamics are governed by the ''thermal inertia'' of the microburner wall structure. The self-ignition property of hydrogen can be used to provide the energy required for propane ignition. Two different modes of hydrogen-assisted propane ignition are considered: co-feed mode, where the microburner inlet consists of premixed hydrogen/propane/air mixtures; and sequential feed mode, where the inlet feed is switched from hydrogen/air to propane/air mixtures after the microburner reaches propane ignition temperature. We show that hydrogen-assisted ignition is equivalent to selectively preheating the inlet section of the microburner. The time to reach steady state is lower at higher equivalence ratio, lower wall thermal conductivity, and higher inlet velocity for both the ignition modes. The ignition times and propane emissions are compared. Although the sequential feed mode requires slightly higher amount of hydrogen, the propane emissions are at least an order of magnitude lower than the other ignition modes. (author)

  8. Increasing the rate of hydrogen oxidation without increasing the overpotential: A bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay

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

    Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L.

    2015-03-05

    Oxidation of hydrogen (H₂) to protons and electrons for energy production in fuel cells is catalyzed by platinum, but its low abundance and high cost present drawbacks to widespread adoption. Precisely controlled proton delivery and removal is critical in hydrogenase enzymes in nature that catalyze H₂ oxidation using earth-abundant metals (iron and nickel). Here we report a synthetic iron complex, (CpC5F4N)Fe(PEtN(CH2)3NMe2PEt)(Cl), that serves as a precatalyst for the oxidation of H₂, with turnover frequencies of 290 s⁻¹ in fluorobenzene, under 1 atm of H₂ using 1,4-diazabicyclo[2.2.2]octane (DABCO) as the exogenous base. The cooperative effect of the primary, secondary and outermore » coordination spheres for moving protons in this remarkably fast catalyst emphasizes the key role of pendant amines in mimicking the functionality of the proton pathway in the hydrogenase enzymes.« less

  9. Increasing the rate of hydrogen oxidation without increasing the overpotential: A bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay

    SciTech Connect (OSTI)

    Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L.

    2015-03-05

    Oxidation of hydrogen (H?) to protons and electrons for energy production in fuel cells is catalyzed by platinum, but its low abundance and high cost present drawbacks to widespread adoption. Precisely controlled proton delivery and removal is critical in hydrogenase enzymes in nature that catalyze H? oxidation using earth-abundant metals (iron and nickel). Here we report a synthetic iron complex, (CpC5F4N)Fe(PEtN(CH2)3NMe2PEt)(Cl), that serves as a precatalyst for the oxidation of H?, with turnover frequencies of 290 s? in fluorobenzene, under 1 atm of H? using 1,4-diazabicyclo[2.2.2]octane (DABCO) as the exogenous base. The cooperative effect of the primary, secondary and outer coordination spheres for moving protons in this remarkably fast catalyst emphasizes the key role of pendant amines in mimicking the functionality of the proton pathway in the hydrogenase enzymes.

  10. PNNL: Center for Molecular Electrocatalysis - Using Hydrogenase...

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

    and Efficient Molecular Electrocatalysts January 2011 To create solar assemblies that use sunlight to split water and create hydrogen fuel requires designing fast, efficient ...

  11. Communication: Quantum molecular dynamics simulation of liquid...

    Office of Scientific and Technical Information (OSTI)

    Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach Citation Details In-Document Search Title: Communication:...

  12. Catalytic membranes for fuel cells

    DOE Patents [OSTI]

    Liu, Di-Jia; Yang, Junbing; Wang, Xiaoping

    2011-04-19

    A fuel cell of the present invention comprises a cathode and an anode, one or both of the anode and the cathode including a catalyst comprising a bundle of longitudinally aligned graphitic carbon nanotubes including a catalytically active transition metal incorporated longitudinally and atomically distributed throughout the graphitic carbon walls of said nanotubes. The nanotubes also include nitrogen atoms and/or ions chemically bonded to the graphitic carbon and to the transition metal. Preferably, the transition metal comprises at least one metal selected from the group consisting of Fe, Co, Ni, Mn, and Cr.

  13. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Infrared Mapping Helps Optimize Catalytic Reactions Print Wednesday, 20 August 2014 07:59 A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ

  14. Storing Hydrogen

    SciTech Connect (OSTI)

    Kim, Hyun Jeong; Karkamkar, Abhijeet J.; Autrey, Thomas; Chupas, Peter; Proffen, Thomas E.

    2010-05-31

    Researchers have been studying mesoporous materials for almost two decades with a view to using them as hosts for small molecules and scaffolds for molding organic compounds into new hybrid materials and nanoparticles. Their use as potential storage systems for large quantities of hydrogen has also been mooted. Such systems that might hold large quantities of hydrogen safely and in a very compact volume would have enormous potential for powering fuel cell vehicles, for instance. A sponge-like form of silicon dioxide, the stuff of sand particles and computer chips, can soak up and store other compounds including hydrogen. Studies carried out at the XOR/BESSRC 11-ID-B beamline at the APS have revealed that the nanoscopic properties of the hydrogenrich compound ammonia borane help it store hydrogen more efficiently than usual. The material may have potential for addressing the storage issues associated with a future hydrogen economy. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  15. Alcohols as hydrogen-donor solvents for treatment of coal

    DOE Patents [OSTI]

    Ross, David S.; Blessing, James E.

    1981-01-01

    A method for the hydroconversion of coal by solvent treatment at elevated temperatures and pressure wherein an alcohol having an .alpha.-hydrogen atom, particularly a secondary alcohol such as isopropanol, is utilized as a hydrogen donor solvent. In a particular embodiment, a base capable of providing a catalytically effective amount of the corresponding alcoholate anion under the solvent treatment conditions is added to catalyze the alcohol-coal reaction.

  16. Developing Enzyme and Biomimetic Catalysts for Upgrading Heavy Crudes via Biological Hydrogenation and Hydrodesulfurization

    SciTech Connect (OSTI)

    Borole, A P

    2006-08-22

    The recovery and conversion of heavy oils is limited due to the high viscosity of these crudes and their high heteroatom content. Conventional technology relies on thermochemical hydrogenation and hydrodesulfurization to address these problems and is energy intensive due to the high operating temperature and pressure. This project was initiated to explore biological catalysts for adding hydrogen to the heavy oil molecules. Biological enzymes are efficient at hydrogen splitting at very mild conditions such as room temperature and pressure, however, they are very specific in terms of the substrates they hydrogenate. The goal of the project was to investigate how the specificity of these enzymes can be altered to develop catalysts for oil upgrading. Three approaches were used. First was to perform chemical modification of the enzyme surface to improve binding of other non-natural substrates. Second approach was to expose the deeply buried catalytic active site of the enzyme by removal of protein scaffolding to enable better interaction with other substrates. The third approach was based on molecular biology to develop genetically engineered systems for enabling targeted structural changes in the enzyme. The first approach was found to be limited in success due to the non-specificity of the chemical modification and inability to target the region near the active site or the site of substrate binding. The second approach produced a smaller catalyst capable of catalyzing hydrogen splitting, however, further experimentation is needed to address reproducibility and stability issues. The third approach which targeted cloning of hydrogenase in alternate hosts demonstrated progress, although further work is necessary to complete the cloning process. The complex nature of the hydrogenase enzyme structure-function relationship and role of various ligands in the protein require significant more research to better understand the enzyme and to enable success in strategies in developing catalysts with broader specificity as that required for crude upgrading.

  17. Plasma-assisted catalytic reduction system

    DOE Patents [OSTI]

    Vogtlin, G.E.; Merritt, B.T.; Hsiao, M.C.; Wallman, P.H.; Penetrante, B.M.

    1998-01-27

    Non-thermal plasma gas treatment is combined with selective catalytic reduction to enhance NO{sub x} reduction in oxygen-rich vehicle engine exhausts. 8 figs.

  18. Catalytic Device International LLC | Open Energy Information

    Open Energy Info (EERE)

    Pleasanton, California Product: California-based, firm focused on portable, heat-on-demand products. References: Catalytic Device International LLC1 This article is a stub....

  19. BioCatalytics | Open Energy Information

    Open Energy Info (EERE)

    Biomass Product: BioCatalytics Inc. provides a broadest range of enzymes for chemical synthesis, especially biomass to biofuel enzymes along with the resources and technology to...

  20. Bifunctional Catalysts for the Selective Catalytic Reduction...

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

    for the Selective Catalytic Reduction of NO by Hydrocarbons Development of Optimal Catalyst Designs and Operating Strategies for Lean NOx Reduction in Coupled LNT-SCR Systems

  1. Plasma-assisted catalytic reduction system

    DOE Patents [OSTI]

    Vogtlin, George E.; Merritt, Bernard T.; Hsiao, Mark C.; Wallman, P. Henrik; Penetrante, Bernardino M.

    1998-01-01

    Non-thermal plasma gas treatment is combined with selective catalytic reduction to enhance NO.sub.x reduction in oxygen-rich vehicle engine exhausts.

  2. Catalytic oxidizers and Title V requirements

    SciTech Connect (OSTI)

    Uberoi, M.; Rach, S.E.

    1999-07-01

    Catalytic oxidizers have been used to reduce VOC emissions from various industries including printing, chemical, paint, coatings, etc. A catalytic oxidizer uses a catalyst to reduce the operating temperature for combustion to approximately 600 F, which is substantially lower than thermal oxidation unit. Title V requirements have renewed the debate on the best methods to assure compliance of catalytic oxidizers, with some suggesting the need for continuous emission monitoring equipment. This paper will discuss the various aspects of catalytic oxidation and consider options such as monitoring inlet/outlet temperatures, delta T across the catalyst, periodic laboratory testing of catalyst samples, and preventive maintenance procedures as means of assuring continuous compliance.

  3. Hydrogen program overview

    SciTech Connect (OSTI)

    Gronich, S.

    1997-12-31

    This paper consists of viewgraphs which summarize the following: Hydrogen program structure; Goals for hydrogen production research; Goals for hydrogen storage and utilization research; Technology validation; DOE technology validation activities supporting hydrogen pathways; Near-term opportunities for hydrogen; Market for hydrogen; and List of solicitation awards. It is concluded that a full transition toward a hydrogen economy can begin in the next decade.

  4. Hydrogen Pipeline Working Group Workshop: Code for Hydrogen Pipelines...

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

    Working Group Workshop: Code for Hydrogen Pipelines Hydrogen Pipeline Working Group Workshop: Code for Hydrogen Pipelines Code for Hydrogen Piping and Pipelines. B31 Hydrogen ...

  5. SPONTANEOUS CATALYTIC WET AIR OXIDATION DURING PRE-TREATMENT OF HIGH-LEVEL RADIOACTIVE WASTE SLUDGE

    SciTech Connect (OSTI)

    Koopman, D.; Herman, C.; Pareizs, J.; Bannochie, C.; Best, D.; Bibler, N.; Fellinger, T.

    2009-10-01

    Savannah River Remediation, LLC (SRR) operates the Defense Waste Processing Facility for the U.S. Department of Energy at the Savannah River Site. This facility immobilizes high-level radioactive waste through vitrification following chemical pretreatment. Catalytic destruction of formate and oxalate ions to carbon dioxide has been observed during qualification testing of non-radioactive analog systems. Carbon dioxide production greatly exceeded hydrogen production, indicating the occurrence of a process other than the catalytic decomposition of formic acid. Statistical modeling was used to relate the new reaction chemistry to partial catalytic wet air oxidation of both formate and oxalate ions driven by the low concentrations of palladium, rhodium, and/or ruthenium in the waste. Variations in process conditions led to increases or decreases in the total oxidative destruction, as well as partially shifting the preferred species undergoing destruction from oxalate ion to formate ion.

  6. Defects Engineered Monolayer MoS2 for Improved Hydrogen Evolution Reaction

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

    Ye, Gonglan; Gong, Yongji; Lin, Junhao; Li, Bo; He, Yongmin; Pantelides, Sokrates T.; Zhou, Wu; Vajtai, Robert; Ajayan, Pulickel M.

    2016-01-13

    MoS2 is a promising, low-cost material for electrochemical hydrogen production due to its high activity and stability during the reaction. Our work represents an easy method to increase the hydrogen production in electrochemical reaction of MoS2 via defect engineering, and helps to understand the catalytic properties of MoS2.

  7. Hydrogen | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen Jump to: navigation, search <-- Back to Hydrogen Gateway Technical Reference for Hydrogen Compatibility of Materials KIA FCEV SUNRISE MG 7955 6 7.jpg Guidance on materials...

  8. Hydrogen Transition Infrastructure Analysis

    SciTech Connect (OSTI)

    Melendez, M.; Milbrandt, A.

    2005-05-01

    Presentation for the 2005 U.S. Department of Energy Hydrogen Program review analyzes the hydrogen infrastructure needed to accommodate a transitional hydrogen fuel cell vehicle demand.

  9. Hydrogen Fuel Cells and Storage Technology: Fundamental Research for Optimization of Hydrogen Storage and Utilization

    SciTech Connect (OSTI)

    Perret, Bob; Heske, Clemens; Nadavalath, Balakrishnan; Cornelius, Andrew; Hatchett, David; Bae, Chusung; Pang, Tao; Kim, Eunja; Hemmers, Oliver

    2011-03-28

    Design and development of improved low-cost hydrogen fuel cell catalytic materials and high-capacity hydrogenn storage media are paramount to enabling the hydrogen economy. Presently, effective and durable catalysts are mostly precious metals in pure or alloyed form and their high cost inhibits fuel cell applications. Similarly, materials that meet on-board hydrogen storage targets within total mass and volumetric constraints are yet to be found. Both hydrogen storage performance and cost-effective fuel cell designs are intimately linked to the electronic structure, morphology and cost of the chosen materials. The FCAST Project combined theoretical and experimental studies of electronic structure, chemical bonding, and hydrogen adsorption/desorption characteristics of a number of different nanomaterials and metal clusters to develop better fundamental understanding of hydrogen storage in solid state matrices. Additional experimental studies quantified the hydrogen storage properties of synthesized polyaniline(PANI)/Pd composites. Such conducting polymers are especially interesting because of their high intrinsic electron density and the ability to dope the materials with protons, anions, and metal species. Earlier work produced contradictory results: one study reported 7% to 8% hydrogen uptake while a second study reported zero hydrogen uptake. Cost and durability of fuel cell systems are crucial factors in their affordability. Limits on operating temperature, loss of catalytic reactivity and degradation of proton exchange membranes are factors that affect system durability and contribute to operational costs. More cost effective fuel cell components were sought through studies of the physical and chemical nature of catalyst performance, characterization of oxidation and reduction processes on system surfaces. Additional development effort resulted in a new hydrocarbon-based high-performance sulfonated proton exchange membrane (PEM) that can be manufactured at low cost and accompanied by improved mechanical and thermal stability.

  10. Dedicated Beamline Facilities for Catalytic Research. Synchrotron Catalysis Consortium (SCC)

    SciTech Connect (OSTI)

    Chen, Jingguang; Frenkel, Anatoly; Rodriguez, Jose; Adzic, Radoslav; Bare, Simon R.; Hulbert, Steve L.; Karim, Ayman; Mullins, David R.; Overbury, Steve

    2015-03-04

    Synchrotron spectroscopies offer unique advantages over conventional techniques, including higher detection sensitivity and molecular specificity, faster detection rate, and more in-depth information regarding the structural, electronic and catalytic properties under in-situ reaction conditions. Despite these advantages, synchrotron techniques are often underutilized or unexplored by the catalysis community due to various perceived and real barriers, which will be addressed in the current proposal. Since its establishment in 2005, the Synchrotron Catalysis Consortium (SCC) has coordinated significant efforts to promote the utilization of cutting-edge catalytic research under in-situ conditions. The purpose of the current renewal proposal is aimed to provide assistance, and to develop new sciences/techniques, for the catalysis community through the following concerted efforts: Coordinating the implementation of a suite of beamlines for catalysis studies at the new NSLS-II synchrotron source; Providing assistance and coordination for catalysis users at an SSRL catalysis beamline during the initial period of NSLS to NSLS II transition; Designing in-situ reactors for a variety of catalytic and electrocatalytic studies; Assisting experimental set-up and data analysis by a dedicated research scientist; Offering training courses and help sessions by the PIs and co-PIs.

  11. Molecular catalytic coal liquid conversion (Conference) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...

  12. Molecular catalytic coal liquid conversion (Conference) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    derived from organometallic compounds that are capable of reducing monocyclic aromatic compounds under very mild conditions. Accomplishments and conclusions are discussed. ...

  13. CO2 hydrogenation catalyzed by iridium complexes with a proton-responsive ligand

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

    Onishi, Naoya; Xu, Shaoan; Manaka, Yuichi; Suna, Yuki; Wang, Wan -Hui; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro

    2015-02-18

    In this study, the catalytic cycle for the production of formic acid by CO₂ hydrogenation and the reverse reaction has received renewed attention because they are viewed as offering a viable scheme for hydrogen storage and release. In this Forum Article, CO₂ hydrogenation catalyzed by iridium complexes bearing N^N-bidentate ligands is reported. We describe how a ligand containing hydroxyl groups as proton-responsive substituents enhances catalytic performance by an electronic effect of the oxyanions and a pendent-base effect through secondary coordination sphere interaction. In particular, [(Cp*IrCl)₂(TH2BPM)]Cl₂ (Cp* = pentamethyl cyclopentadienyl, TH2BPM = 4,4',6,6'-tetrahydroxy-2,2'-bipyrimidine) promotes enormously the catalytic hydrogenation of CO₂ bymore » these synergistic effects under atmospheric pressure and at room temperature. Additionally, newly designed complexes with azole-type ligands are applied to CO₂ hydrogenation. The catalytic efficiencies of the azole-type complexes are much higher than that of the unsubstituted bipyridine complex [Cp*Ir(bpy)(OH₂)]SO₄. Furthermore, the introduction of one or more hydroxyl groups into ligands such as 2-pyrazolyl-6-hydroxypyridine, 2-pyrazolyl-4,6-dihydroxyl pyrimidine, and 4-pyrazolyl-2,6-dihydroxyl pyrimidine enhanced catalytic activity. It is clear that the incorporation of electron-donating hydroxyl groups into proton-responsive ligands is effective for promoting the hydrogenation of CO₂.« less

  14. CO? hydrogenation catalyzed by iridium complexes with a proton-responsive ligand

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

    Onishi, Naoya; Fujita, Etsuko; Xu, Shaoan; Manaka, Yuichi; Suna, Yuki; Wang, Wan-Hui; Muckerman, James T.; Himeda, Yuichiro

    2015-02-18

    The catalytic cycle for the production of formic acid by CO? hydrogenation and the reverse reaction has received renewed attention because they are viewed as offering a viable scheme for hydrogen storage and release. In this Forum Article, CO? hydrogenation catalyzed by iridium complexes bearing N^N-bidentate ligands is reported. We describe how a ligand containing hydroxyl groups as proton-responsive substituents enhances catalytic performance by an electronic effect of the oxyanions and a pendent-base effect through secondary coordination sphere interaction. In particular, [(Cp*IrCl)?(TH2BPM)]Cl? (Cp* = pentamethyl cyclopentadienyl, TH2BPM = 4,4',6,6'-tetrahydroxy-2,2'-bipyrimidine) promotes enormously the catalytic hydrogenation of CO? by these synergistic effectsmoreunder atmospheric pressure and at room temperature. Additionally, newly designed complexes with azole-type ligands are applied to CO? hydrogenation. The catalytic efficiencies of the azole-type complexes are much higher than that of the unsubstituted bipyridine complex [Cp*Ir(bpy)(OH?)]SO?. Furthermore, the introduction of one or more hydroxyl groups into ligands such as 2-pyrazolyl-6-hydroxypyridine, 2-pyrazolyl-4,6-dihydroxyl pyrimidine, and 4-pyrazolyl-2,6-dihydroxyl pyrimidine enhanced catalytic activity. It is clear that the incorporation of electron-donating hydroxyl groups into proton-responsive ligands is effective for promoting the hydrogenation of CO?.less

  15. CO2 hydrogenation catalyzed by iridium complexes with a proton-responsive ligand

    SciTech Connect (OSTI)

    Onishi, Naoya; Xu, Shaoan; Manaka, Yuichi; Suna, Yuki; Wang, Wan -Hui; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro

    2015-02-18

    In this study, the catalytic cycle for the production of formic acid by CO? hydrogenation and the reverse reaction has received renewed attention because they are viewed as offering a viable scheme for hydrogen storage and release. In this Forum Article, CO? hydrogenation catalyzed by iridium complexes bearing N^N-bidentate ligands is reported. We describe how a ligand containing hydroxyl groups as proton-responsive substituents enhances catalytic performance by an electronic effect of the oxyanions and a pendent-base effect through secondary coordination sphere interaction. In particular, [(Cp*IrCl)?(TH2BPM)]Cl? (Cp* = pentamethyl cyclopentadienyl, TH2BPM = 4,4',6,6'-tetrahydroxy-2,2'-bipyrimidine) promotes enormously the catalytic hydrogenation of CO? by these synergistic effects under atmospheric pressure and at room temperature. Additionally, newly designed complexes with azole-type ligands are applied to CO? hydrogenation. The catalytic efficiencies of the azole-type complexes are much higher than that of the unsubstituted bipyridine complex [Cp*Ir(bpy)(OH?)]SO?. Furthermore, the introduction of one or more hydroxyl groups into ligands such as 2-pyrazolyl-6-hydroxypyridine, 2-pyrazolyl-4,6-dihydroxyl pyrimidine, and 4-pyrazolyl-2,6-dihydroxyl pyrimidine enhanced catalytic activity. It is clear that the incorporation of electron-donating hydroxyl groups into proton-responsive ligands is effective for promoting the hydrogenation of CO?.

  16. Methods and apparatuses for preparing a surface to have catalytic activity

    DOE Patents [OSTI]

    Cooks, Robert G. (West Lafayette, IN); Peng, Wen-Ping (West Lafayette, IN); Ouyang, Zheng (West Lafayette, IN); Goodwin, Michael P. (West Lafayette, IN)

    2011-03-22

    The invention provides methods and apparatuses that utilize mass spectrometry for preparation of a surface to have catalytic activity through molecular soft-landing of mass selected ions. Mass spectrometry is used to generate combinations of atoms in a particular geometrical arrangement, and ion soft-landing selects this molecular entity or combination of entities and gently deposits the entity or combination intact onto a surface.

  17. Non-catalytic recuperative reformer

    DOE Patents [OSTI]

    Khinkis, Mark J.; Kozlov, Aleksandr P.; Kurek, Harry

    2015-12-22

    A non-catalytic recuperative reformer has a flue gas flow path for conducting hot flue gas from a thermal process and a reforming mixture flow path for conducting a reforming mixture. At least a portion of the reforming mixture flow path is embedded in the flue gas flow path to permit heat transfer from the hot flue gas to the reforming mixture. The reforming mixture flow path contains substantially no material commonly used as a catalyst for reforming hydrocarbon fuel (e.g., nickel oxide, platinum group elements or rhenium), but instead the reforming mixture is reformed into a higher calorific fuel via reactions due to the heat transfer and residence time. In a preferred embodiment, extended surfaces of metal material such as stainless steel or metal alloy that are high in nickel content are included within at least a portion of the reforming mixture flow path.

  18. Catalytic reactor with improved burner

    DOE Patents [OSTI]

    Faitani, Joseph J.; Austin, George W.; Chase, Terry J.; Suljak, George T.; Misage, Robert J.

    1981-01-01

    To more uniformly distribute heat to the plurality of catalyst tubes in a catalytic reaction furnace, the burner disposed in the furnace above the tops of the tubes includes concentric primary and secondary annular fuel and air outlets. The fuel-air mixture from the primary outlet is directed towards the tubes adjacent the furnace wall, and the burning secondary fuel-air mixture is directed horizontally from the secondary outlet and a portion thereof is deflected downwardly by a slotted baffle toward the tubes in the center of the furnace while the remaining portion passes through the slotted baffle to another baffle disposed radially outwardly therefrom which deflects it downwardly in the vicinity of the tubes between those in the center and those near the wall of the furnace.

  19. Hydrogen Generation Rate Scoping Study of DOW Corning Antifoam Agent

    SciTech Connect (OSTI)

    Crawford, Charles

    2005-09-27

    The antifoam agent DOW Corning Q2-3183A will be added to waste streams in the Hanford River Protection Program-Waste Treatment and Immobilization Plant (RPP-WTP) to prevent foaming. It consists mostly of polydimethylsiloxane (PDMS) and polypropylene glycol (PPG). These and other minor constituents of the antifoam have organic constituents that may participate in radiolytic and chemical reactions that produce hydrogen in Hanford waste. It has been recommended by The WTP R&T Department recommended personnel to treat the organic compounds of the antifoam like the in a similar manner as other organic compounds that are native to the Hanford waste with respect to hydrogen production. This testing has investigated the radiolytic and thermal production of hydrogen from antifoam added to simulant waste solutions to determine if the organic components of the antifoam produce hydrogen in the same manner as the native organic species in Hanford waste. Antifoam additions for this testing were in the range of 4 to 10 wt% to ensure adequate hydrogen detection. Test conditions were selected to bound exposures to the antifoam agent in the WTP. These levels are higher than previously recommended values of 350 mg/L for actual applications in WTP tanks containing air spargers and pulse jet mixers. Limited degradation analyses for the organic components of the antifoam were investigated in this study. A more detailed study involving analyses of antifoam degradation and product formation is in progress at SRNL and results from that study will be reported at a later time. The total organic carbon (TOC) content of the Q2-3183A antifoam was measured to be 39.7 {+-} 4.9 wt% TOC. This measurement was performed in triplicate with on three different dilutions of the pure antifoam liquid using a TOC combustion analyzer instrument with catalytic oxidation, followed by CO{sub 2} quantification using an infrared detector. Test results from this study indicate that the WTP HGR correlation conservatively bounds hydrogen generation rates (HGRs) from antifoam-containing simulants if the antifoam organic components are treated the same as other native organics. Tests that used the combination of radiolysis and thermolysis conducted on simulants containing antifoam produced measured hydrogen that was bounded by the WTP correlation. These tests used the bounding WTP temperature of 90 C and a dose rate of 1.8 x 10{sup 5} rad/hr. This dose rate is about ten times higher than the dose rate equivalent calculated for a bounding Hanford sludge slurry composition of 10 Ci/L, or 2 x 10{sup 4} rad/hr. Hydrogen was measured using a quadrupole mass spectroscopy instrument. Based on the analyses from the 4wt% and 10wt% antifoam samples, it is expected that the HGR results are directly proportional to the antifoam concentration added. A native organic-containing simulant that did not contain any added antifoam also produced a measurable radiolytic/thermal hydrogen rates that was in bounded by the WTP correlation. A base simulant with no added organic produced a measurable radiolytic/thermal HGR that was {approx}2X higher than the predicted HGR. Analysis of antifoam-containing simulants after prolonged irradiation of 52 Mrad and heating (23 days at 90 C) indicates that essentially all of the PDMS and greater than 60% of the PPG components are degraded, likely to lower molecular weight species. The antifoam components were analyzed by extraction from the salt simulants, followed by gel permeation chromatography (GPC) by personnel at Dow Corning. A more detailed study of the antifoam degradation and product formation from radiolysis and thermolysis is currently in progress at SRNL. That study uses a dose rate of about 2 x 10{sup 4} rad/hr and bounding temperatures of 90 C. Results from that study will be reported in a future report.

  20. Catalytic method for synthesizing hydrocarbons

    DOE Patents [OSTI]

    Sapienza, Richard S.; Sansone, Michael J.; Slegeir, William A. R.

    1984-01-01

    A method for synthesizing hydrocarbons from carbon monoxide and hydrogen by contacting said gases with a slurry of a catalyst composed of palladium or platinum and cobalt supported on a solid phase is disclosed. The catalyst is prepared by heating a heterogeneous component of the palladium or platinum deposited on the solid support in a solution of cobalt carbonyl or precursors thereof. The catalyst exhibits excellent activity, stability in air, and produces highly desirable product fractions even with dilute gaseous reactants.

  1. Catalytic method for synthesizing hydrocarbons

    DOE Patents [OSTI]

    Sapienza, R.S.; Sansone, M.J.; Slegeir, W.A.R.

    A method for synthesizing hydrocarbons from carbon monoxide and hydrogen by contacting said gases with a slurry of a catalyst composed of palladium or platinum and cobalt supported on a solid phase is disclosed. The catalyst is prepared by heating a heterogeneous component of the palladium or platinum deposited on the solid support in a solution of cobalt carbonyl or precursors thereof. The catalyst exhibits excellent activity, stability in air, and produces highly desirable product fractions even with dilute gaseous reactants.

  2. Carbon Dioxide Conversion to Valuable Chemical Products over Composite Catalytic Systems

    SciTech Connect (OSTI)

    Dagle, Robert A.; Hu, Jianli; Jones, Susanne B.; Wilcox, Wayne A.; Frye, John G.; White, J. F.; Jiang, Juyuan; Wang, Yong

    2013-05-01

    Presented is an experimental study on catalytic conversion of carbon dioxide into methanol, ethanol and acetic acid. Catalysts having different catalytic functions were synthesized and combined in different ways to enhance selectivity to desired products. The combined catalyst system possessed the following functions: methanol synthesis, Fischer-Tropsch synthesis, water-gas-shift and hydrogenation. Results showed that the methods of integrating these catalytic functions played important role in achieving desired product selectivity. It was speculated that if methanol synthesis sites were located adjacent to the C-C chain growth sites, the formation rate of C2 oxygenates would be enhanced. The advantage of using high temperature methanol catalyst PdZnAl in the combined catalyst system was demonstrated. In the presence of PdZnAl catalyst, the combined catalyst system was stable at temperature of 380oC. It was observed that, at high temperature, kinetics favored oxygenate formation. Results implied that the process can be intensified by operating at high temperature using Pd-based methanol synthesis catalyst. Steam reforming of the byproduct organics was demonstrated as a means to provide supplemental hydrogen. Preliminary process design, simulation, and economic analysis of the proposed CO2 conversion process were carried out. Economic analysis indicates how ethanol production cost was affected by the price of CO2 and hydrogen.

  3. Hydrogen Technology Validation

    Fuel Cell Technologies Publication and Product Library (EERE)

    This fact sheet provides a basic introduction to the DOE Hydrogen National Hydrogen Learning Demonstration for non-technical audiences.

  4. Hydrogen Production: Photobiological

    Broader source: Energy.gov [DOE]

    The photobiological hydrogen production process uses microorganisms and sunlight to turn water, and sometimes organic matter, into hydrogen.

  5. Improved Hydrogen Gas Getters for TRU Waste -- Final Report

    SciTech Connect (OSTI)

    Mark Stone; Michael Benson; Christopher Orme; Thomas Luther; Eric Peterson

    2005-09-01

    Alpha radiolysis of hydrogenous waste and packaging materials generates hydrogen gas in radioactive storage containers. For that reason, the Nuclear Regulatory Commission limits the flammable gas (hydrogen) concentration in the Transuranic Package Transporter-II (TRUPACT-II) containers to 5 vol% of hydrogen in air, which is the lower explosion limit. Consequently, a method is needed to prevent the build up of hydrogen to 5 vol% during the storage and transport of the TRUPACT-II containers (up to 60 days). One promising option is the use of hydrogen getters. These materials scavenge hydrogen from the gas phase and irreversibly bind it in the solid phase. One proven getter is a material called 1,4-bis (phenylethynyl) benzene, or DEB, characterized by the presence of carbon-carbon triple bonds. Carbon may, in the presence of suitable precious metal catalysts such as palladium, irreversibly react with and bind hydrogen. In the presence of oxygen, the precious metal may also eliminate hydrogen by catalyzing the formation of water. This reaction is called catalytic recombination. DEB has the needed binding rate and capacity for hydrogen that potentially could be generated in the TRUPACT II. Phases 1 and 2 of this project showed that uncoated DEB performed satisfactorily in lab scale tests. Based upon these results, Phase 3, the final project phase, included larger scale testing. Test vessels were scaled to replicate the ratio between void space in the inner containment vessel of a TRUPACT-II container and a payload of seven 55-gallon drums. The tests were run with an atmosphere of air for 63.9 days at ambient temperature (15-27C) and a scaled hydrogen generation rate of 2.60E-07 moles per second (0.35 cc/min). A second type of getter known as VEI, a proprietary polymer hydrogen getter characterized by carbon-carbon double bonds, was also tested in Phase 3. Hydrogen was successfully gettered by both getter systems. Hydrogen concentrations remained below 5 vol% (in air) for the duration of the tests. However, catalytic reaction of hydrogen with carbon triple or double bonds in the getter materials did not take place. Instead, catalytic recombination was the predominant gettering mechanism in both getter materials as evidenced by (1) consumption of oxygen in the belljars, (2) production of free water in the belljars, and (3) absence of chemical changes in both getter materials as shown by nuclear magnetic resonance spectra.

  6. Hydrogen scavengers

    DOE Patents [OSTI]

    Carroll, David W.; Salazar, Kenneth V.; Trkula, Mitchell; Sandoval, Cynthia W.

    2002-01-01

    There has been invented a codeposition process for fabricating hydrogen scavengers. First, a .pi.-bonded allylic organometallic complex is prepared by reacting an allylic transition metal halide with an organic ligand complexed with an alkali metal; and then, in a second step, a vapor of the .pi.-bonded allylic organometallic complex is combined with the vapor of an acetylenic compound, irradiated with UV light, and codeposited on a substrate.

  7. Nanoporous carbon catalytic membranes and method for making the same

    DOE Patents [OSTI]

    Foley, Henry C. (Hockessin, DE); Strano, Michael (Wilmington, DE); Acharya, Madhav (New Castle, DE); Raich, Brenda A. (Houston, TX)

    2002-01-01

    Catalytic membranes comprising highly-dispersed, catalytically-active metals in nanoporous carbon membranes and a novel single-phase process to produce the membranes.

  8. Improvement of catalytic activity in selective oxidation of styrene...

    Office of Scientific and Technical Information (OSTI)

    Improvement of catalytic activity in selective oxidation of styrene with Hsub 2Osub 2 ... Title: Improvement of catalytic activity in selective oxidation of styrene with Hsub ...

  9. Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway...

    Office of Scientific and Technical Information (OSTI)

    Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway Citation Details In-Document Search Title: Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway This ...

  10. Selectlive Catalytic Reducution of NOx wilth Diesel-Based Fuels...

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

    Selectlive Catalytic Reducution of NOx wilth Diesel-Based Fuels as Reductants Selectlive Catalytic Reducution of NOx wilth Diesel-Based Fuels as Reductants 2005 Diesel Engine ...

  11. New Developments in Titania-Based Catalysts for Selective Catalytic...

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

    Developments in Titania-Based Catalysts for Selective Catalytic Reduction of NOx New Developments in Titania-Based Catalysts for Selective Catalytic Reduction of NOx Presentation ...

  12. Hydrogen catalysis and scavenging action of Pd-POSS nanoparticles

    SciTech Connect (OSTI)

    Maiti, A; Gee, R H; Maxwell, R; Saab, A

    2007-02-01

    Prompted by the need for a self-supported, chemically stable, and functionally flexible catalytic nanoparticle system, we explore a system involving Pd clusters coated with a monolayer of polyhedral oligomeric silsesquioxane (POSS) cages. With an initial theoretical focus on hydrogen catalysis and sequestration in the Pd-POSS system, we report Density Functional Theory (DFT) results on POSS binding energies to the Pd(110) surface, hydrogen storing ability of POSS, and possible pathways of hydrogen radicals from the catalyst surface to unsaturated bonds away from the surface.

  13. Catalytic Fast Pyrolysis for the Production of the Hydrocarbon Biofuels

    SciTech Connect (OSTI)

    Nimlos, M. R.; Robichaud, D. J.; Mukaratate, C.; Donohoe, B. S.; Iisa, K.

    2013-01-01

    Catalytic fast pyrolysis is a promising technique for conversion of biomass into hydrocarbons for use as transportation fuels. For over 30 years this process has been studied and it has been demonstrated that oils can be produced with high concentrations of hydrocarbons and low levels of oxygen. However, the yields from this type of conversion are typically low and the catalysts, which are often zeolites, are quickly deactivated through coking. In addition, the hydrocarbons produced are primarily aromatic molecules (benzene, toluene, xylene) that not desirable for petroleum refineries and are not well suited for diesel or jet engines. The goals of our research are to develop new multifunction catalysts for the production of gasoline, diesel and jet fuel range molecules and to improve process conditions for higher yields and low coking rates. We are investigating filtration and the use of hydrogen donor molecules to improve catalyst performance.

  14. Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

    DOE Patents [OSTI]

    Lessing, Paul A.

    2004-09-07

    An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

  15. Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

    DOE Patents [OSTI]

    Lessing, Paul A.

    2008-07-22

    An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

  16. A Hydrogen-Evolving Ni(P2N2)2 Electrocatalyst Covalently Attached to a Glassy Carbon Electrode: Preparation, Characterization, and Catalysis. Comparisons With the Homogeneous Analog

    SciTech Connect (OSTI)

    Das, Atanu K.; Engelhard, Mark H.; Bullock, R. Morris; Roberts, John A.

    2014-07-07

    A hydrogen-evolving homogeneous Ni(P2N2)2 electrocatalyst with peripheral ester groups has been covalently attached to a 1,2,3-triazolyllithium-terminated glassy carbon electrode. The surface-confined complex is an electroctalyst for hydrogen evolution, showing onset of catalytic current at the same potential as the soluble parent complex. X-ray photoemission spectra show excellent agreement between the coupled and homogeneous species. Coverage approaches a dense monolayer. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. The XPS measurements were performed at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  17. Intensified Fischer-Tropsch Synthesis Process with Microchannel Catalytic Reactors

    SciTech Connect (OSTI)

    Cao, Chunshe; Hu, Jianli; Li, Shari; Wilcox, Wayne A.; Wang, Yong

    2009-02-28

    A microchannel catalytic reactor with improved heat and mass transport has been used for Fischer-Tropsch synthesis to produce fuels and chemicals. This type of novel reactor takes advantages of highly active and selective catalysts with increased site density so that the FT synthesis process can be intensified. It was demonstrated that this microchannel reactor based process can be carried out at gas hourly space velocity (GHSV) as high as 60,000 hr-1 to achieve greater than 60% of one-pass CO conversion while maintaining low methane selectivity (<10%) and high chain growth probability(>0.9). Such superior FT synthesis performance has not ever been reported in the prior open literatures. The overall productivity to heavy hydrocarbons has been significantly improved over the conventional reactor technology. In this study, performance data were obtained in a wide range of pressure (10atm-35atm) and hydrogen to carbon monoxide ratio (1-2.5). The catalytic system was characterized by BET, scanning electron microcopy (SEM), transmission electron microcopy(TEM), and H2 chemisorption. A three dimensional pseudo-homogeneous model were used to simulate temperature profiles in the exothermic reaction system in order to optimize the reactor design and intensify the synthesis process. Intraparticle non-isothermal characteristics are also analyzed for the FT synthesis catalyst.

  18. Hydrogen Sensor Testing, Hydrogen Technologies (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2008-11-01

    Factsheet describing the hydrogen sensor testing laboratory at the National Renewable Energy Laboratory.

  19. Hydrogen detector

    DOE Patents [OSTI]

    Kanegae, Naomichi; Ikemoto, Ichiro

    1980-01-01

    A hydrogen detector of the type in which the interior of the detector is partitioned by a metal membrane into a fluid section and a vacuum section. Two units of the metal membrane are provided and vacuum pipes are provided independently in connection to the respective units of the metal membrane. One of the vacuum pipes is connected to a vacuum gauge for static equilibrium operation while the other vacuum pipe is connected to an ion pump or a set of an ion pump and a vacuum gauge both designed for dynamic equilibrium operation.

  20. Infrared Mapping Helps Optimize Catalytic Reactions

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

    and optimization of the catalytic reaction. Research conducted by: E. Gross, X.-Z. Shu, S. Alayoglu, F.D. Toste, and G.A. Somorjai (Univ. of California, Berkeley), and H.A....

  1. Catalytic converter for automotive exhaust system

    SciTech Connect (OSTI)

    Merry, R.P.

    1986-10-14

    This patent describes a catalytic converter having a metallic casing, a unitary, solid ceramic catalytic element disposed within the casing, and resilient means disposed between the catalytic element and the metallic casing for positioning the catalytic element and for absorbing mechanical and thermal shock. The improvement described here comprises: the resilient means being a flexible intumescent planar sheet corrugated with a generally sinusoidal wave pattern along both its lengthwise edges. The corrugations are generally parallel and regular and are comprised of substantially equal ridges and hollows having a perimeter to frequency ratio in a range of 2.44 to 4.88 and amplitude in a range of 12 to 50% of the width of the sheet.

  2. Hydrogen Isotope Exchange Properties of Porous Solids Containing Hydrogen

    SciTech Connect (OSTI)

    HEUNG, LEUNGK.

    2004-08-18

    Porous solids such as activated alumina, silica and molecular sieves generally contain significant amounts of hydrogen atoms in the form of H2O or OH even at high temperature and low humidity environment. A significant amount of this hydrogen is available for reversible isotopic exchange. This exchange reaction is slow under normal conditions and does not render itself to practical applications. But if the exchange kinetics is improved this reaction has the potential to be used for tritium removal from gas streams or for hydrogen isotopic separation.The use of catalysts to improve the exchange kinetics between hydrogen isotope in the gas phase and that in the solid phase was investigated. Granules of alumina, silica and molecular sieve were coated with platinum or palladium as the catalyst. The granules were packed in a 2-cm diameter column for isotope exchange tests. Gas streams containing different concentrations of deuterium in nitrogen or argon were fed through the protium saturated column. Isotope concentration in column effluent was monitored to generate isotope break-through curves. The curves were analyzed to produce information on the kinetics and capacity of the material. The results showed that all materials tested provided some extent of isotope exchange but some were superior both in kinetics and capacity. This paper will present the test results.

  3. SPITZER INFRARED SPECTROGRAPH DETECTION OF MOLECULAR HYDROGEN...

    Office of Scientific and Technical Information (OSTI)

    ... MA 02215 (United States) Institut d'Astrophysique Spatiale, Universite Paris Sud, Bat. 121, F-91405 Orsay Cedex (France) Princeton University Observatory, Peyton Hall, ...

  4. DOE Hydrogen and Fuel Cells Program Record 11007: Hydrogen Threshold...

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

    DOE Hydrogen and Fuel Cells Program Record 11007: Hydrogen Threshold Cost Calculation DOE Hydrogen and Fuel Cells Program Record 11007: Hydrogen Threshold Cost Calculation The ...

  5. Safety and Regulatory Structure for CNG, CNG-Hydrogen, Hydrogen...

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

    Hydrogen, Hydrogen Vehicles and Fuels in China Safety and Regulatory Structure for CNG, CNG-Hydrogen, Hydrogen Vehicles and Fuels in China Presentation given by Jinyang Zheng of ...

  6. Hydrogen permeability and Integrity of hydrogen transfer pipelines...

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

    permeability and Integrity of hydrogen transfer pipelines Hydrogen permeability and Integrity of hydrogen transfer pipelines Presentation by 03-Babu for the DOE Hydrogen Pipeline ...

  7. Ovonic Hydrogen Systems LLC formerly Texaco Ovonic Hydrogen Systems...

    Open Energy Info (EERE)

    Hydrogen Systems LLC formerly Texaco Ovonic Hydrogen Systems LLC Jump to: navigation, search Name: Ovonic Hydrogen Systems LLC (formerly Texaco Ovonic Hydrogen Systems LLC) Place:...

  8. Polymer formulations for gettering hydrogen

    DOE Patents [OSTI]

    Shepodd, Timothy J.; Even, Jr., William R.

    2000-01-01

    A novel method for preparing a hydrogenation composition comprising organic polymer molecules having carbon--carbon double bonds, for removing hydrogen from the atmosphere within enclosed spaces and particularly from atmospheres within enclosed spaces that contain air, water vapor, oxygen, carbon dioxide or ammonia. The organic polymers molecules containing carbon--carbon double bonds throughout their structures, preferably polybutadiene, polyisoprene and derivatives thereof, intimately mixed with an insoluble noble metal catalyst composition. High molecular weight polymers may be added to the organic polymer/catalyst mixture in order to improve their high temperature performance. The hydrogenation composition is prepared by dispersing the polymers in a suitable solvent, forming thereby a solution suspension, flash-freezing droplets of the solution in a liquid cryogen, freeze-drying the frozen droplets to remove frozen solvent incorporated in the droplets, and recovering the dried powder thus formed.

  9. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Print A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ using infrared microspectroscopy, while the state of the catalyst along the flow

  10. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Print A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ using infrared microspectroscopy, while the state of the catalyst along the flow

  11. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Print A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ using infrared microspectroscopy, while the state of the catalyst along the flow

  12. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Print A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ using infrared microspectroscopy, while the state of the catalyst along the flow

  13. Innovative Catalytic Converter Wins National Award

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

    Innovative Catalytic Converter Wins National Award For more information contact: e:mail: Public Affairs Golden, Colo., July 25, 1996—A new catalytic converter design that could dramatically reduce automobile emissions and urban air pollution has been named one of the years most important technological breakthroughs. Research and Development Magazine selected the converter—developed by the U.S. Department of Energy's National Renewable Energy Laboratory (NREL) and Benteler Industries Inc. of

  14. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Print A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ using infrared microspectroscopy, while the state of the catalyst along the flow

  15. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Print A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ using infrared microspectroscopy, while the state of the catalyst along the flow

  16. Infrared Mapping Helps Optimize Catalytic Reactions

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

    Infrared Mapping Helps Optimize Catalytic Reactions Print A pathway to more effective and efficient synthesis of pharmaceuticals and other flow-reactor chemical products has been opened by a study in which, for the first time, the catalytic reactivity inside a microreactor was mapped in high resolution from start to finish. The formation of different chemical products during the reactions was analyzed in situ using infrared microspectroscopy, while the state of the catalyst along the flow

  17. Department of Chemistry | Center for Catalytic Hydrocarbon

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

    Functionalization Department of Chemistry Faculty & Research Outreach Programs Graduate Studies Events & Seminars Undergraduate Studies Contact Us Faculty & Research > Research Centers & Programs > Center for Catalytic Hydrocarbon Functionalization CCHF Center for Catalytic Hydrocarbon Functionalization Catalysts are central to the efficient and clean utilization of energy resources, and they impact all aspects of the energy sector. With the University of Virginia as

  18. Catalytic Upgrading Sugars To Hydrocarbons | Department of Energy

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

    Sugars To Hydrocarbons Catalytic Upgrading Sugars To Hydrocarbons PDF on catalytic bioenergy process PDF icon Catalytic Upgrading Sugars To Hydrocarbons More Documents & Publications Biological Conversion of Sugars To Hydrocarbons Technology Pathway Selection Effort Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway

  19. Mechanochemical hydrogenation of coal

    DOE Patents [OSTI]

    Yang, Ralph T.; Smol, Robert; Farber, Gerald; Naphtali, Leonard M.

    1981-01-01

    Hydrogenation of coal is improved through the use of a mechanical force to reduce the size of the particulate coal simultaneously with the introduction of gaseous hydrogen, or other hydrogen donor composition. Such hydrogen in the presence of elemental tin during this one-step size reduction-hydrogenation further improves the yield of the liquid hydrocarbon product.

  20. Copper contamination effects on hydrogen-air combustion under SCRAMJET (supersonic combustion ramjet) testing conditions

    SciTech Connect (OSTI)

    Chang, S.L.; Lottes, S.A.; Berry, G.F.

    1990-01-01

    Two forms of copper catalytic reactions (homogeneous and heterogeneous) in hydrogen flames were found in a literature survey. Hydrogen atoms in flames recombine into hydrogen molecules through catalytic reactions, and these reactions which affect the timing of the combustion process. Simulations of hydrogen flames with copper contamination were conducted by using a modified general chemical kinetics program (GCKP). Results show that reaction times of hydrogen flames are shortened by copper catalytic reactions, but ignition times are relatively insensitive to the reactions. The reduction of reaction time depends on the copper concentration, copper phase, particle size (if copper is in the condensed phase), and initial temperature and pressure. The higher the copper concentration of the smaller the particle, the larger the reduction in reaction time. For a supersonic hydrogen flame (Mach number = 4.4) contaminated with 200 ppm of gaseous copper species, the calculated reaction times are reduced by about 9%. Similar reductions in reaction time are also computed for heterogeneous copper contamination. Under scramjet testing conditions, the change of combustion timing appears to be tolerable (less than 5%) if the Mach number is lower than 3 or the copper contamination is less than 100 ppm. The higher rate the Mach number, the longer the reaction time and the larger the copper catalytic effects. 7 tabs., 8 figs., 34 refs.

  1. CTP Hydrogen | Open Energy Information

    Open Energy Info (EERE)

    CTP Hydrogen Jump to: navigation, search Name: CTP Hydrogen Place: Westborough, Massachusetts Zip: 1581 Sector: Hydro, Hydrogen Product: CTP Hydrogen is an early stage company...

  2. MERCURY-NITRITE-RHODIUM-RUTHENIUM INTERACTIONS IN NOBLE METAL CATALYZED HYDROGEN GENERATION FROM FORMIC ACID DURING NUCLEAR WASTE PROCESSING AT THE SAVANNAH RIVER SITE - 136C

    SciTech Connect (OSTI)

    Koopman, D.; Pickenheim, B.; Lambert, D.; Newell, J; Stone, M.

    2009-09-02

    Chemical pre-treatment of radioactive waste at the Savannah River Site is performed to prepare the waste for vitrification into a stable waste glass form. During pre-treatment, compounds in the waste become catalytically active. Mercury, rhodium, and palladium become active for nitrite destruction by formic acid, while rhodium and ruthenium become active for catalytic conversion of formic acid into hydrogen and carbon dioxide. Nitrite ion is present during the maximum activity of rhodium, but is consumed prior to the activation of ruthenium. Catalytic hydrogen generation during pre-treatment can exceed radiolytic hydrogen generation by several orders of magnitude. Palladium and mercury impact the maximum catalytic hydrogen generation rates of rhodium and ruthenium by altering the kinetics of nitrite ion decomposition. New data are presented that illustrate the interactions of these various species.

  3. Heavy oil catalytic cracking apparatus (Patent) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Heavy oil catalytic cracking apparatus Citation Details In-Document Search Title: Heavy oil catalytic cracking apparatus This patent describes an apparatus for the fluidized catalytic cracking of a heavy hydrocarbon feed comprising hydrocarbons having a boiling point above about 650{degrees} F to lighter products by contact the feed with catalytic cracking catalyst. It comprises a catalytic cracking reactor means; a separation means connective with the reactor outlet; a primary stripping means

  4. Production of Hydrogen by Electrocatalysis: Making the H-H Bond by Combining Protons and Hydrides

    SciTech Connect (OSTI)

    Bullock, R. Morris; Appel, Aaron M.; Helm, Monte L.

    2014-03-25

    Generation of hydrogen by reduction of two protons by two electrons can be catalysed by molecular electrocatalysts. Determination of the thermodynamic driving force for elimination of H2 from molecular complexes is important for the rational design of molecular electrocatalysts, and allows the design of metal complexes of abundant, inexpensive metals rather than precious metals (“Cheap Metals for Noble Tasks”). The rate of H2 evolution can be dramatically accelerated by incorporating pendant amines into diphosphine ligands. These pendant amines in the second coordination sphere function as protons relays, accelerating intramolecular and intermolecular proton transfer reactions. The thermodynamics of hydride transfer from metal hydrides and the acidity of protonated pendant amines (pKa of N-H) contribute to the thermodynamics of elimination of H2; both of the hydricity and acidity can be systematically varied by changing the substituents on the ligands. A series of Ni(II) electrocatalysts with pendant amines have been developed. In addition to the thermochemical considerations, the catalytic rate is strongly influenced by the ability to deliver protons to the correct location of the pendant amine. Protonation of the amine endo to the metal leads to the N-H being positioned appropriately to favor rapid heterocoupling with the M-H. Designing ligands that include proton relays that are properly positioned and thermodynamically tuned is a key principle for molecular electrocatalysts for H2 production as well as for other multi-proton, multi-electron reactions important for energy conversions. The research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for DOE.

  5. NREL: Learning - Hydrogen Basics

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

    Hydrogen Basics Hydrogen is a clean-burning fuel, and when combined with oxygen in a fuel cell, it produces heat and electricity with only water vapor as a by-product. But hydrogen...

  6. Fast Pyrolysis Oil Stabilization: An Integrated Catalytic and Membrane Approach for Improved Bio-oils

    SciTech Connect (OSTI)

    George W. Huber, Aniruddha A Upadhye, David M. Ford, Surita R. Bhatia, Phillip C. Badger

    2012-10-19

    This University of Massachusetts, Amherst project, "Fast Pyrolysis Oil Stabilization: An Integrated Catalytic and Membrane Approach for Improved Bio-oils" started on 1st February 2009 and finished on August 31st 2011. The project consisted following tasks: Task 1.0: Char Removal by Membrane Separation Technology The presence of char particles in the bio-oil causes problems in storage and end-use. Currently there is no well-established technology to remove char particles less than 10 micron in size. This study focused on the application of a liquid-phase microfiltration process to remove char particles from bio-oil down to slightly sub-micron levels. Tubular ceramic membranes of nominal pore sizes 0.5 and 0.8 µm were employed to carry out the microfiltration, which was conducted in the cross-flow mode at temperatures ranging from 38 to 45 C and at three different trans-membrane pressures varying from 1 to 3 bars. The results demonstrated the removal of the major quantity of char particles with a significant reduction in overall ash content of the bio-oil. The results clearly showed that the cake formation mechanism of fouling is predominant in this process. Task 2.0 Acid Removal by Membrane Separation Technology The feasibility of removing small organic acids from the aqueous fraction of fast pyrolysis bio-oils using nanofiltration (NF) and reverse osmosis (RO) membranes was studied. Experiments were carried out with a single solute solutions of acetic acid and glucose, binary solute solutions containing both acetic acid and glucose, and a model aqueous fraction of bio-oil (AFBO). Retention factors above 90% for glucose and below 0% for acetic acid were observed at feed pressures near 40 bar for single and binary solutions, so that their separation in the model AFBO was expected to be feasible. However, all of the membranes were irreversibly damaged when experiments were conducted with the model AFBO due to the presence of guaiacol in the feed solution. Experiments with model AFBO excluding guaiacol were also conducted. NF membranes showed retention factors of glucose greater than 80% and of acetic acid less than 15% when operated at transmembrane pressures near 60 bar. Task 3.0 Acid Removal by Catalytic Processing It was found that the TAN reduction in bio-oil was very difficult using low temperature hydrogenation in flow and batch reactors. Acetic acid is very resilient to hydrogenation and we could only achieve about 16% conversion for acetic acid. Although it was observed that acetic acid was not responsible for instability of aqueous fraction of bio-oil during ageing studies (described in task 5). The bimetallic catalyst PtRe/ceria-zirconia was found to be best catalyst because its ability to convert the acid functionality with low conversion to gas phase carbon. Hydrogenation of the whole bio-oil was carried out at 125°C, 1450 psi over Ru/C catalyst in a flow reactor. Again, negligible acetic acid conversion was obtained in low temperature hydrogenation. Hydrogenation experiments with whole bio-oil were difficult to perform because of difficulty to pumping the high viscosity oil and reactor clogging. Task 4.0 Acid Removal using Ion Exchange Resins DOWEX M43 resin was used to carry out the neutralization of bio-oil using a packed bed column. The pH of the bio-oil increased from 2.43 to 3.7. The GC analysis of the samples showed that acetic acid was removed from the bio-oil during the neutralization and recovered in the methanol washing. But it was concluded that process would not be economical at large scale as it is extremely difficult to regenerate the resin once the bio-oil is passed over it. Task 5.0 Characterization of Upgraded Bio-oils We investigated the viscosity, microstructure, and chemical composition of bio-oils prepared by a fast pyrolysis approach, upon aging these fuels at 90ºC for periods of several days. Our results suggest that the viscosity increase is not correlated with the acids or char present in the bio-oils. The viscosity increase is due to formation of high molecular weight polymeric species over time. Our work also suggests that hydrogenation of the samples is beneficial in eliminating the viscosity increase. Task 6.0 Commercialization Assessment Renewable Oil International LLC (ROI) was responsible for Task 6.0, œCommercialization Assessment. As part of this effort ROI focused on methods to reduce char carryover in the vapor stream from the fast pyrolysis reactor and residence time of the vapor in the reactor. Changes were made in the bio-oil recovery methodology and a reactor sweep gas used to reduce vapor residence time. Cyclones were placed in the vapor stream to reduce char particulate carryover. Microfiltration of the bio-oil was also researched to remove char particulate from the bio-oil. The capital cost for these improvements would be less than 2% of the total plant capital cost.

  7. Hydrogen Technologies Safety Guide

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

    Storage Hydrogen Storage The Fuel Cell Technologies Office (FCTO) is developing onboard automotive hydrogen storage systems that allow for a driving range of more than 300 miles while meeting cost, safety, and performance requirements. Why Study Hydrogen Storage Hydrogen storage is a key enabling technology for the advancement of hydrogen and fuel cell technologies in applications including stationary power, portable power, and transportation. Hydrogen has the highest energy per mass of any

  8. Why Hydrogen? Hydrogen from Diverse Domestic Resources

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

    from Diverse Domestic Resources Hydrogen from Diverse Domestic Resources Distributed Generation Transportation HIGH EFFICIENCY HIGH EFFICIENCY & RELIABILITY & RELIABILITY ZERONEAR...

  9. Hydrogen Safety Panel

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

    or otherwise restricted information. Project ID: scs07weiner PNNL-SA-65397 2 IEA HIA Task 19 Working Group Hydrogen Safety Training Props Hydrogen Safety Panel Incident...

  10. Hydrogen Storage Challenges

    Broader source: Energy.gov [DOE]

    For transportation, the overarching technical challenge for hydrogen storage is how to store the amount of hydrogen required for a conventional driving range (>300 miles) within the vehicular...

  11. Hydrogen Compatibility of Materials

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

    ... establishes suitability Hydrogen suitability is the management and control of these variables 7 Example: hydrogen embrittlement in diaphragm compressor High-volume, ...

  12. Hydrogen Threshold Cost Calculation

    Broader source: Energy.gov [DOE]

    DOE Hydrogen Program Record number11007, Hydrogen Threshold Cost Calculation, documents the methodology and assumptions used to calculate that threshold cost.

  13. Hydrogen Production Basics

    Broader source: Energy.gov [DOE]

    Hydrogen is an energy carrier, not an energy source—it stores and delivers energy in a usable form, but it must be produced from hydrogen containing compounds.

  14. Hydrogen | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen Jump to: navigation, search Hydrogen Companies Loading map... "format":"googlemaps3","type":"SATELLITE","types":"ROADMAP","SATELLITE","HYBRID","TERRAIN","limit":1000,"o...

  15. Strain effect on the adsorption, diffusion, and molecular dissociation...

    Office of Scientific and Technical Information (OSTI)

    Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface Citation Details In-Document Search Title: Strain effect on the adsorption,...

  16. Catalytic Combustor for Fuel-Flexible Turbine

    SciTech Connect (OSTI)

    Laster, W. R.; Anoshkina, E.

    2008-01-31

    Under the sponsorship of the U. S. Department of Energys National Energy Technology Laboratory, Siemens Westinghouse has conducted a three-year program to develop an ultra low NOx, fuel flexible catalytic combustor for gas turbine application in IGCC. The program is defined in three phases: Phase 1- Implementation Plan, Phase 2- Validation Testing and Phase 3 Field Testing. Both Phase 1 and Phase 2 of the program have been completed. In IGCC power plants, the gas turbine must be capable of operating on syngas as a primary fuel and an available back-up fuel such as natural gas. In this program the Rich Catalytic Lean (RCLTM) technology is being developed as an ultra low NOx combustor. In this concept, ultra low NOx is achieved by stabilizing a lean premix combustion process by using a catalytic reactor to oxidize a portion of the fuel, increasing the temperature of fuel/air mixture prior to the main combustion zone. In Phase 1, the feasibility of the catalytic concept for syngas application has been evaluated and the key technology issues identified. In Phase II the technology necessary for the application of the catalytic concept to IGCC fuels was developed through detailed design and subscale testing. Phase III (currently not funded) will consist of full-scale combustor basket testing on natural gas and syngas.

  17. Catalytic Combustor for Fuel-Flexible Turbine

    SciTech Connect (OSTI)

    W. R. Laster; E. Anoshkina

    2008-01-31

    Under the sponsorship of the U. S. Department of Energy's National Energy Technology Laboratory, Siemens Westinghouse has conducted a three-year program to develop an ultra low NOx, fuel flexible catalytic combustor for gas turbine application in IGCC. The program is defined in three phases: Phase 1 - Implementation Plan, Phase 2 - Validation Testing and Phase 3 - Field Testing. Both Phase 1 and Phase 2 of the program have been completed. In IGCC power plants, the gas turbine must be capable of operating on syngas as a primary fuel and an available back-up fuel such as natural gas. In this program the Rich Catalytic Lean (RCLTM) technology is being developed as an ultra low NOx combustor. In this concept, ultra low NOx is achieved by stabilizing a lean premix combustion process by using a catalytic reactor to oxidize a portion of the fuel, increasing the temperature of fuel/air mixture prior to the main combustion zone. In Phase 1, the feasibility of the catalytic concept for syngas application has been evaluated and the key technology issues identified. In Phase II the technology necessary for the application of the catalytic concept to IGCC fuels was developed through detailed design and subscale testing. Phase III (currently not funded) will consist of full-scale combustor basket testing on natural gas and syngas.

  18. Equations of state and phase diagrams of hydrogen isotopes

    SciTech Connect (OSTI)

    Urlin, V. D.

    2013-11-15

    A new form of the semiempirical equation of state proposed for the liquid phase of hydrogen isotopes is based on the assumption that its structure is formed by cells some of which contain hydrogen molecules and others contain hydrogen atoms. The values of parameters in the equations of state of the solid (molecular and atomic) phases as well as of the liquid phase of hydrogen isotopes (protium and deuterium) are determined. Phase diagrams, shock adiabats, isentropes, isotherms, and the electrical conductivity of compressed hydrogen are calculated. Comparison of the results of calculations with available experimental data in a wide pressure range demonstrates satisfactory coincidence.

  19. Electro Catalytic Oxidation (ECO) Operation

    SciTech Connect (OSTI)

    Morgan Jones

    2011-03-31

    The power industry in the United States is faced with meeting many new regulations to reduce a number of air pollutants including sulfur dioxide, nitrogen oxides, fine particulate matter, and mercury. With over 1,000 power plants in the US, this is a daunting task. In some cases, traditional pollution control technologies such as wet scrubbers and SCRs are not feasible. Powerspan's Electro-Catalytic Oxidation, or ECO{reg_sign} process combines four pollution control devices into a single integrated system that can be installed after a power plant's particulate control device. Besides achieving major reductions in emissions of sulfur dioxide (SO{sub 2}), nitrogen oxides (NOx), fine particulate matter (PM2.5) and mercury (Hg), ECO produces a highly marketable fertilizer, which can help offset the operating costs of the process system. Powerspan has been operating a 50-MW ECO commercial demonstration unit (CDU) at FirstEnergy Corp.'s R.E. Burger Plant near Shadyside, Ohio, since February 2004. In addition to the CDU, a test loop has been constructed beside the CDU to demonstrate higher NOx removal rates and test various scrubber packing types and wet ESP configurations. Furthermore, Powerspan has developed the ECO{reg_sign}{sub 2} technology, a regenerative process that uses a proprietary solvent to capture CO{sub 2} from flue gas. The CO{sub 2} capture takes place after the capture of NOx, SO{sub 2}, mercury, and fine particulate matter. Once the CO{sub 2} is captured, the proprietary solution is regenerated to release CO{sub 2} in a form that is ready for geological storage or beneficial use. Pilot scale testing of ECO{sub 2} began in early 2009 at FirstEnergy's Burger Plant. The ECO{sub 2} pilot unit is designed to process a 1-MW flue gas stream and produce 20 tons of CO{sub 2} per day, achieving a 90% CO{sub 2} capture rate. The ECO{sub 2} pilot program provided the opportunity to confirm process design and cost estimates, and prepare for large scale capture and sequestration projects. The objectives of this project were to prove at a commercial scale that ECO is capable of extended operations over a range of conditions, that it meets the reliability requirements of a typical utility, and that the fertilizer co-product can be consistently generated, providing ECO with an economic advantage over conventional technologies currently available. Further objectives of the project were to show that the ECO system provides flue gas that meets the inlet standards necessary for ECO{sub 2} to operate, and that the outlet CO{sub 2} and other constituents produced by the ECO{sub 2} pilot can meet Kinder-Morgan pipeline standards for purposes of sequestration. All project objectives are consistent with DOE's Pollution Control Innovations for Power Plants program goals.

  20. Incorporation of catalytic dehydrogenation into fischer-tropsch synthesis to significantly reduce carbon dioxide emissions

    DOE Patents [OSTI]

    Huffman, Gerald P.

    2012-11-13

    A new method of producing liquid transportation fuels from coal and other hydrocarbons that significantly reduces carbon dioxide emissions by combining Fischer-Tropsch synthesis with catalytic dehydrogenation is claimed. Catalytic dehydrogenation (CDH) of the gaseous products (C1-C4) of Fischer-Tropsch synthesis (FTS) can produce large quantities of hydrogen while converting the carbon to multi-walled carbon nanotubes (MWCNT). Incorporation of CDH into a FTS-CDH plant converting coal to liquid fuels can eliminate all or most of the CO.sub.2 emissions from the water-gas shift (WGS) reaction that is currently used to elevate the H.sub.2 level of coal-derived syngas for FTS. Additionally, the FTS-CDH process saves large amounts of water used by the WGS reaction and produces a valuable by-product, MWCNT.

  1. Process and apparatus for coal hydrogenation

    DOE Patents [OSTI]

    Ruether, John A. (McMurray, PA); Simpson, Theodore B. (McLean, VA)

    1991-01-01

    In a coal liquefaction process an aqueous slurry of coal is prepared containing a dissolved liquefaction catalyst. A small quantity of oil is added to the slurry and then coal-oil agglomerates are prepared by agitation of the slurry at atmospheric pressure. The resulting mixture is drained of excess water and dried at atmospheric pressure leaving catalyst deposited on the agglomerates. The agglomerates then are fed to an extrusion device where they are formed into a continuous ribbon of extrudate and fed into a hydrogenation reactor at elevated pressure and temperature. The catalytic hydrogenation converts the extrudate primarily to liquid hydrocarbons in the reactor. The liquid drained in recovering the agglomerates is recycled.

  2. METHOD OF COMBINING HYDROGEN AND OXYGEN

    DOE Patents [OSTI]

    McBride, J.P.

    1962-02-27

    A method is given for the catalytic recombination of radiolytic hydrogen and/or deulerium and oxygen resulting from the subjection or an aqueous thorium oxide or thorium oxide-uranium oxide slurry to ionizing radiation. An improved catalyst is prepared by providing paliadium nitrate in an aqueous thorium oxide sol at a concentration of at least 0.05 grams per gram of thorium oxide and contacting the sol with gaseous hydrogen to form flocculated solids. The solids are then recovered and added to the slurry to provide a palladium concentration of 100 to 1000 parts per million. Recombination is effected by the calalyst at a rate sufficient to support high nuclear reactor power densities. (AEC)

  3. President's Hydrogen Fuel Initiative

    Broader source: Energy.gov [DOE]

    Presentation prepared by JoAnn Milliken for the 2005 Manufacturing for the Hydrogen Economy workshop

  4. Hydrogen delivery technology roadmap

    SciTech Connect (OSTI)

    None, None

    2005-11-15

    Document describing plan for research into and development of hydrogen delivery technology for transportation applications.

  5. Safetygram #9- Liquid Hydrogen

    Broader source: Energy.gov [DOE]

    Hydrogen is colorless as a liquid. Its vapors are colorless, odorless, tasteless, and highly flammable.

  6. Hydrogen Delivery Roadmap

    Broader source: Energy.gov [DOE]

    The mission of the Hydrogen Delivery Technical Team (HDTT) is to enable the development of hydrogen delivery technologies, which will allow for fuel cell competitiveness with gasoline and hybrid technologies by achieving an as-produced, delivered, and dispensed hydrogen cost of $2-$4 per gallon of gasoline equivalent of hydrogen.

  7. Degradation Mechanisms of Urea Selective Catalytic Reduction...

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

    2 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon ace027peden2012

  8. Degradation Mechanisms of Urea Selective Catalytic Reduction...

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

    1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon ace027peden2011

  9. Hydrogen bond dynamics in bulk alcohols

    SciTech Connect (OSTI)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamicsquantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquidalcoholshas attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  10. Composition for absorbing hydrogen

    DOE Patents [OSTI]

    Heung, L.K.; Wicks, G.G.; Enz, G.L.

    1995-05-02

    A hydrogen absorbing composition is described. The composition comprises a porous glass matrix, made by a sol-gel process, having a hydrogen-absorbing material dispersed throughout the matrix. A sol, made from tetraethyl orthosilicate, is mixed with a hydrogen-absorbing material and solidified to form a porous glass matrix with the hydrogen-absorbing material dispersed uniformly throughout the matrix. The glass matrix has pores large enough to allow gases having hydrogen to pass through the matrix, yet small enough to hold the particles dispersed within the matrix so that the hydrogen-absorbing particles are not released during repeated hydrogen absorption/desorption cycles.

  11. Composition for absorbing hydrogen

    DOE Patents [OSTI]

    Heung, Leung K.; Wicks, George G.; Enz, Glenn L.

    1995-01-01

    A hydrogen absorbing composition. The composition comprises a porous glass matrix, made by a sol-gel process, having a hydrogen-absorbing material dispersed throughout the matrix. A sol, made from tetraethyl orthosilicate, is mixed with a hydrogen-absorbing material and solidified to form a porous glass matrix with the hydrogen-absorbing material dispersed uniformly throughout the matrix. The glass matrix has pores large enough to allow gases having hydrogen to pass through the matrix, yet small enough to hold the particles dispersed within the matrix so that the hydrogen-absorbing particles are not released during repeated hydrogen absorption/desorption cycles.

  12. Hydrogenation with monolith reactor under conditions of immiscible liquid phases

    DOE Patents [OSTI]

    Nordquist, Andrew Francis (Whitehall, PA); Wilhelm, Frederick Carl (Zionsville, PA); Waller, Francis Joseph (Allentown, PA); Machado, Reinaldo Mario (Allentown, PA)

    2002-01-01

    The present invention relates to an improved for the hydrogenation of an immiscible mixture of an organic reactant in water. The immiscible mixture can result from the generation of water by the hydrogenation reaction itself or, by the addition of, water to the reactant prior to contact with the catalyst. The improvement resides in effecting the hydrogenation reaction in a monolith catalytic reactor from 100 to 800 cpi, at a superficial velocity of from 0.1 to 2 m/second in the absence of a cosolvent for the immiscible mixture. In a preferred embodiment, the hydrogenation is carried out using a monolith support which has a polymer network/carbon coating onto which a transition metal is deposited.

  13. Scaled Testing of Hydrogen Gas Getters for Transuranic Waste

    SciTech Connect (OSTI)

    Kaszuba, J.; Mroz, E.; Haga, M.; Hollis, W. K. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico, 87545 (United States); Peterson, E.; Stone, M.; Orme, C.; Luther, T.; Benson, M. [Idaho National Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-2208 (United States)

    2006-07-01

    Alpha radiolysis of hydrogenous waste and packaging materials generates hydrogen gas in radioactive storage and shipment containers. Hydrogen forms a flammable mixture with air over a wide range of concentrations (5% to 75%), and very low energy is needed to ignite hydrogen-air mixtures. For these reasons, the concentration of hydrogen in waste shipment containers (Transuranic Package Transporter-II or TRUPACT-II containers) needs to remain below the lower explosion limit of hydrogen in air (5 vol%). Accident scenarios and the resulting safety analysis require that this limit not be exceeded. The use of 'hydrogen getters' is being investigated as a way to prevent the build up of hydrogen in TRUPACT-II containers. Preferred getters are solid materials that scavenge hydrogen from the gas phase and chemically and irreversibly bind it into the solid state. In this study, two getter systems are evaluated: a) 1,4-bis (phenylethynyl)benzene or DEB, characterized by the presence of carbon-carbon triple bonds; and b) a proprietary polymer hydrogen getter, VEI or TruGetter, characterized by carbon-carbon double bonds. Carbon in both getter types may, in the presence of suitable precious metal catalysts such as palladium, irreversibly react with and bind hydrogen. With oxygen present, the precious metal may also eliminate hydrogen by catalyzing the formation of water. This reaction is called catalytic recombination. DEB and VEI performed satisfactorily in lab scale tests using small test volumes (ml-scale), high hydrogen generation rates, and short time spans of hours to days. The purpose of this study is to evaluate whether DEB and VEI perform satisfactorily in actual drum-scale tests with realistic hydrogen generation rates and time frames. The two getter systems were evaluated in test vessels comprised of a Gas Generation Test Program-style bell-jar and a drum equipped with a composite drum filter. The vessels were scaled to replicate the ratio between void space in the inner containment vessel of a TRUPACT-II container and volume of a payload of seven 55-gallon drums. The tests were conducted in an atmosphere of air for 60 days at ambient temperature (15 to 27 deg. C) and a scaled hydrogen generation rate of 2.60 E-07 moles hydrogen per second (0.35 cc/min). Hydrogen was successfully 'gettered' by both systems. Hydrogen concentrations remained below 5 vol% (in air) for the duration of the tests. However, catalytic reaction of hydrogen with carbon triple or double bonds in the getter materials did not take place. Instead, catalytic recombination was the predominant mechanism in both getters as evidenced by 1) consumption of oxygen in the bell-jars; 2) production of free water in the bell-jars; and 3) absence of chemical changes in both getters as shown by NMR spectra. (authors)

  14. Advanced Hydrogen Turbine Development

    SciTech Connect (OSTI)

    Joesph Fadok

    2008-01-01

    Siemens has developed a roadmap to achieve the DOE goals for efficiency, cost reduction, and emissions through innovative approaches and novel technologies which build upon worldwide IGCC operational experience, platform technology, and extensive experience in G-class operating conditions. In Phase 1, the technologies and concepts necessary to achieve the program goals were identified for the gas turbine components and supporting technology areas and testing plans were developed to mitigate identified risks. Multiple studies were conducted to evaluate the impact in plant performance of different gas turbine and plant technologies. 2015 gas turbine technologies showed a significant improvement in IGCC plant efficiency, however, a severe performance penalty was calculated for high carbon capture cases. Thermodynamic calculations showed that the DOE 2010 and 2015 efficiency targets can be met with a two step approach. A risk management process was instituted in Phase 1 to identify risk and develop mitigation plans. For the risks identified, testing and development programs are in place and the risks will be revisited periodically to determine if changes to the plan are necessary. A compressor performance prediction has shown that the design of the compressor for the engine can be achieved with additional stages added to the rear of the compressor. Tip clearance effects were studied as well as a range of flow and pressure ratios to evaluate the impacts to both performance and stability. Considerable data was obtained on the four candidate combustion systems: diffusion, catalytic, premix, and distributed combustion. Based on the results of Phase 1, the premixed combustion system and the distributed combustion system were chosen as having the most potential and will be the focus of Phase 2 of the program. Significant progress was also made in obtaining combustion kinetics data for high hydrogen fuels. The Phase 1 turbine studies indicate initial feasibility of the advanced hydrogen turbine that meets the aggressive targets set forth for the advanced hydrogen turbine, including increased rotor inlet temperature (RIT), lower total cooling and leakage air (TCLA) flow, higher pressure ratio, and higher mass flow through the turbine compared to the baseline. Maintaining efficiency with high mass flow Syngas combustion is achieved using a large high AN2 blade 4, which has been identified as a significant advancement beyond the current state-of-the-art. Preliminary results showed feasibility of a rotor system capable of increased power output and operating conditions above the baseline. In addition, several concepts were developed for casing components to address higher operating conditions. Rare earth modified bond coat for the purpose of reducing oxidation and TBC spallation demonstrated an increase in TBC spallation life of almost 40%. The results from Phase 1 identified two TBC compositions which satisfy the thermal conductivity requirements and have demonstrated phase stability up to temperatures of 1850 C. The potential to join alloys using a bonding process has been demonstrated and initial HVOF spray deposition trials were promising. The qualitative ranking of alloys and coatings in environmental conditions was also performed using isothermal tests where significant variations in alloy degradation were observed as a function of gas composition. Initial basic system configuration schematics and working system descriptions have been produced to define key boundary data and support estimation of costs. Review of existing materials in use for hydrogen transportation show benefits or tradeoffs for materials that could be used in this type of applications. Hydrogen safety will become a larger risk than when using natural gas fuel as the work done to date in other areas has shown direct implications for this type of use. Studies were conducted which showed reduced CO{sub 2} and NOx emissions with increased plant efficiency. An approach to maximize plant output is needed in order to address the DOE turbine goal for 20-30% reduction of combined cycle cost from the baseline. A customer advisory board was instituted during Phase 1 to obtain important feedback regarding the future direction of the project. he technologies being developed for the Hydrogen Turbine will also be utilized, as appropriate, in the 2010 time frame engine and the FutureGen Plant. These new technologies and concepts also have the potential to accelerate commercialization of advanced coal-based IGCC plants in the U. S. and around the world, thereby reducing emissions, water use, solid waste production and dependence on scarce, expensive and insecure foreign energy supplies. Technology developments accomplished in Phase 1 provide a solid foundation for ensuring successful completion in Phase 2 and providing that the challenging program goals will be achieved.

  15. Method of making a catalytic converter

    SciTech Connect (OSTI)

    Bailey, C.H.; De Palma, T.V.; Dillon, J.E.

    1982-08-10

    Arrangement for resiliently mounting a ceramic monolithic type catalytic converter element in a metal housing with a blanket of knit wire mesh material includes at least one circumferential band of high temperature intumescent material containing ceramic fibers positioned within the wire mesh blanket which prevents virtually all bypass leakage around the element and substantially reduces the temperature of the wire mesh.

  16. Production of LPG olefins by catalytic dehydrogenation

    SciTech Connect (OSTI)

    Pujado, P.R.; Vora, B.V.

    1984-09-01

    Catalytic dehydrogenation allows for the production of specific olefins thus avoiding the large capital and operating expenses associated with the recovery and processing of the many by-products from pyrolysis units. The chemistry of the process is discussed along with the process economics.

  17. Process for catalytically oxidizing cycloolefins, particularly cyclohexene

    DOE Patents [OSTI]

    Mizuno, Noritaka (Sapporo, JP); Lyon, David K. (Bend, OR); Finke, Richard G. (Eugene, OR)

    1993-01-01

    This invention is a process for catalytically oxidizing cycloolefins, particularly cyclohexenes, to form a variety of oxygenates. The catalyst used in the process is a covalently bonded iridium-heteropolyanion species. The process uses the catalyst in conjunction with a gaseous oxygen containing gas to form 2-cyclohexen-1-ol and also 2-cyclohexen-1-one.

  18. Solid state proton and electron mediating membrane and use in catalytic membrane reactors

    DOE Patents [OSTI]

    White, James H.; Schwartz, Michael; Sammells, Anthony F.

    2000-01-01

    Mixed electron- and proton-conducting metal oxide materials are provided. These materials are useful in fabrication of membranes for use in catalytic membrane reactions, particularly for promoting dehydrogenation of hydrocarbons, oligomerization of hydrocarbons and for the decomposition of hydrogen-containing gases. Membrane materials are perovskite compounds of the formula: AB.sub.1-x B'.sub.x O.sub.3-y where A=Ca, Sr, or Ba; B=Ce, Tb, Pr or Th; B'=Ti, V, Cr, Mn, Fe, Co, Ni or Cu; 0.2

  19. Challenges in Catalytic Manufacture of Renewable Pyrrolidinones from Fermentation Derived Succinate

    SciTech Connect (OSTI)

    White, James F.; Holladay, Johnathan E.; Zacher, Alan H.; Frye, John G.; Werpy, Todd A.

    2014-09-05

    Fermentation derived succinic acid ammonium salt is an ideal precursor for manufacture of renewable N-methyl pyrrolidinone (NMP) or 2-pyrrolidinone (2P) via heterogeneous catalysis. However, there are many challenges to making this a practical reality. Chief among the challenges is avoiding catalyst poisoning by fermentation by- and co-products. Battelle / Pacific Northwest National Laboratory (PNNL) have developed an economically effective technology strategy for this purpose. The technology is a combination of purely thermal processing, followed by simple catalytic hydrogenation that together avoids catalyst poisoning from fermentation impurities and provides high selectivity and yields of NMP or 2P.

  20. Selective catalytic reduction system and process using a pre-sulfated zirconia binder

    DOE Patents [OSTI]

    Sobolevskiy, Anatoly; Rossin, Joseph A.

    2010-06-29

    A selective catalytic reduction (SCR) process with a palladium catalyst for reducing NOx in a gas, using hydrogen as a reducing agent is provided. The process comprises contacting the gas stream with a catalyst system, the catalyst system comprising (ZrO.sub.2)SO.sub.4, palladium, and a pre-sulfated zirconia binder. The inclusion of a pre-sulfated zirconia binder substantially increases the durability of a Pd-based SCR catalyst system. A system for implementing the disclosed process is further provided.

  1. Hydrogen production from water: Recent advances in photosynthesis research

    SciTech Connect (OSTI)

    Greenbaum, E.; Lee, J.W.

    1997-12-31

    The great potential of hydrogen production by microalgal water splitting is predicated on quantitative measurement of the algae`s hydrogen-producing capability, which is based on the following: (1) the photosynthetic unit size of hydrogen production; (2) the turnover time of photosynthetic hydrogen production; (3) thermodynamic efficiencies of conversion of light energy into the Gibbs free energy of molecular hydrogen; (4) photosynthetic hydrogen production from sea water using marine algae; (5) the potential for research advances using modern methods of molecular biology and genetic engineering to maximize hydrogen production. ORNL has shown that sustained simultaneous photoevolution of molecular hydrogen and oxygen can be performed with mutants of the green alga Chlamydomonas reinhardtii that lack a detectable level of the Photosystem I light reaction. This result is surprising in view of the standard two-light reaction model of photosynthesis and has interesting scientific and technological implications. This ORNL discovery also has potentially important implications for maximum thermodynamic conversion efficiency of light energy into chemical energy by green plant photosynthesis. Hydrogen production performed by a single light reaction, as opposed to two, implies a doubling of the theoretically maximum thermodynamic conversion efficiency from {approx}10% to {approx}20%.

  2. THE DARK MOLECULAR GAS

    SciTech Connect (OSTI)

    Wolfire, Mark G.; Hollenbach, David; McKee, Christopher F. E-mail: dhollenbach@seti.or

    2010-06-20

    The mass of molecular gas in an interstellar cloud is often measured using line emission from low rotational levels of CO, which are sensitive to the CO mass, and then scaling to the assumed molecular hydrogen H{sub 2} mass. However, a significant H{sub 2} mass may lie outside the CO region, in the outer regions of the molecular cloud where the gas-phase carbon resides in C or C{sup +}. Here, H{sub 2} self-shields or is shielded by dust from UV photodissociation, whereas CO is photodissociated. This H{sub 2} gas is 'dark' in molecular transitions because of the absence of CO and other trace molecules, and because H{sub 2} emits so weakly at temperatures 10 K molecular component. This component has been indirectly observed through other tracers of mass such as gamma rays produced in cosmic-ray collisions with the gas and far-infrared/submillimeter wavelength dust continuum radiation. In this paper, we theoretically model this dark mass and find that the fraction of the molecular mass in this dark component is remarkably constant ({approx}0.3 for average visual extinction through the cloud A-bar{sub V{approx_equal}}8) and insensitive to the incident ultraviolet radiation field strength, the internal density distribution, and the mass of the molecular cloud as long as A-bar{sub V}, or equivalently, the product of the average hydrogen nucleus column and the metallicity through the cloud, is constant. We also find that the dark mass fraction increases with decreasing A-bar{sub V}, since relatively more molecular H{sub 2} material lies outside the CO region in this case.

  3. Tellurapyrylium dyes as catalysts for the conversion of singlet oxygen and water to hydrogen peroxide

    SciTech Connect (OSTI)

    Detty, M.R. ); Gibson, S.L. )

    1990-05-09

    The development of methods for light-to-chemical energy conversion is important for application to solar-energy storage schemes. While the major emphasis in such research has been water splitting for the production of hydrogen, the photoproduction of other energy-rich compounds such as hydrogen peroxide has also received attention. The authors report novel, catalytic reactions of tellurapyrlium dye 1 that utilize tellurium(IV) species 2 as an intermediate.

  4. DOE Hydrogen and Fuel Cell Overview: 2011 Hydrogen Infrastructure...

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

    and Fuel Cell Overview: 2011 Hydrogen Infrastructure Market Readiness Workshop DOE Hydrogen and Fuel Cell Overview: 2011 Hydrogen Infrastructure Market Readiness Workshop ...

  5. Hydrogen Fuel Cell Bus Evaluation: Report for the 2001 Hydrogen...

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

    Bus Evaluation: Report for the 2001 Hydrogen Program Review Hydrogen Fuel Cell Bus Evaluation: Report for the 2001 Hydrogen Program Review This paper, presented at the 2001 DOE ...

  6. Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines...

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

    Permeability and Integrity of Hydrogen Delivery Pipelines Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines Project Objectives: To gain basic understanding of ...

  7. Hydrogen Power Inc formerly Hydrogen Power International and...

    Open Energy Info (EERE)

    Power Inc formerly Hydrogen Power International and Equitex Inc Jump to: navigation, search Name: Hydrogen Power, Inc. (formerly Hydrogen Power International and Equitex Inc.)...

  8. CNG, Hydrogen, CNG-Hydrogen Blends - Critical Fuel Properties...

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

    US DRIVE Hydrogen Codes and Standards Technical Team Roadmap Hydrogen Release Behavior Overview of HyRAM (Hydrogen Risk Assessment Models) Software for Science-Based Safety, Codes, ...

  9. Hydrogen Delivery Technologies and Systems- Pipeline Transmission of Hydrogen

    Broader source: Energy.gov [DOE]

    Hydrogen Delivery Technologies and Systems - Pipeline Transmission of Hydrogen. Design and operations standards and materials for hydrogen and natural gas pipelines.

  10. The Role of Organic Capping Layers of Platinum Nanoparticles in Catalytic Activity of CO Oxidation

    SciTech Connect (OSTI)

    Park, Jeong Y.; Aliaga, Cesar; Renzas, J. Russell; Lee, Hyunjoo; Somorjai, Gabor A.

    2008-12-17

    We report the catalytic activity of colloid platinum nanoparticles synthesized with different organic capping layers. On the molecular scale, the porous organic layers have open spaces that permit the reactant and product molecules to reach the metal surface. We carried out CO oxidation on several platinum nanoparticle systems capped with various organic molecules to investigate the role of the capping agent on catalytic activity. Platinum colloid nanoparticles with four types of capping layer have been used: TTAB (Tetradecyltrimethylammonium Bromide), HDA (hexadecylamine), HDT (hexadecylthiol), and PVP (poly(vinylpyrrolidone)). The reactivity of the Pt nanoparticles varied by 30%, with higher activity on TTAB coated nanoparticles and lower activity on HDT, while the activation energy remained between 27-28 kcal/mol. In separate experiments, the organic capping layers were partially removed using ultraviolet light-ozone generation techniques, which resulted in increased catalytic activity due to the removal of some of the organic layers. These results indicate that the nature of chemical bonding between organic capping layers and nanoparticle surfaces plays a role in determining the catalytic activity of platinum colloid nanoparticles for carbon monoxide oxidation.

  11. Hydrogen Pipelines | Department of Energy

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

    Gaseous Hydrogen » Hydrogen Pipelines Hydrogen Pipelines Photo of a hydrogen pipeline. Gaseous hydrogen can be transported through pipelines much the way natural gas is today. Approximately 1,500 miles of hydrogen pipelines are currently operating in the United States. Owned by merchant hydrogen producers, these pipelines are located where large hydrogen users, such as petroleum refineries and chemical plants, are concentrated such as the Gulf Coast region. Transporting gaseous hydrogen via

  12. Renewable Hydrogen | Department of Energy

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

    Hydrogen Renewable Hydrogen Welcoming presentations at the Delivering Renewable Hydrogen Workshop: A Focus on Near-Term Applications, Nov. 16, 2009, Palm Springs, CA PDF icon ...

  13. hydrogen-fueled transportation systems

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

    ... materials to store hydrogen onboard vehicles, leading to more reliable, economic hydrogen-fuel-cell vehicles. "Hydrogen, as a transportation fuel, has great potential to ...

  14. Hydrogen Materials Advanced Research Consortium

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

    ... materials to store hydrogen onboard vehicles, leading to more reliable, economic hydrogen-fuel-cell vehicles. "Hydrogen, as a transportation fuel, has great potential to ...

  15. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    Molecular catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids Yang Shiyong Stock L M COAL LIGNITE AND PEAT CHEMISTRY COAL LIQUIDS HYDROGENATION...

  16. Production of hydrogen by thermocatalytic cracking of natural gas. Task 4 report; Annual report

    SciTech Connect (OSTI)

    1995-10-01

    The conventional methods of hydrogen production from natural gas, for example, steam reforming (SR), are complex multi-step processes. These processes also result in the emission of large quantities of CO{sub 2} into the atmosphere. One alternative is the single-step thermocatalytic cracking (TCC) (or decomposition) of natural gas into hydrogen and carbon. The comparative assessment of SR and TCC processes was conducted. Thermocatalytic cracking of methane over various catalysts and supports in a wide range of temperatures (500--900 C) and flow rates was conducted. Two types of fix bed catalytic reactors were designed, built and tested: continuous flow and pulse reactors. Ni-Mo/Alumina and Fe-catalysts demonstrated relatively high efficiency in the methane cracking reaction at the range of temperatures 600--800 C. Fe-catalyst demonstrated fairly good stability, whereas alumina-supported Pt-catalyst rapidly lost its catalytic activity. Methane decomposition reaction over Ni-Mo/alumina was studied over wide range of space velocities in a continuous flow fixed bed catalytic reactor. The experimental results indicate that the hydrogen yield decreases noticeably with an increase in the space velocity of methane. The pulse type catalytic reactor was used to test the activity of the catalysts. It was found that induction period on the kinetic curve of hydrogen production corresponded to the reduction of metal oxide to metallic form of the catalyst. SEM method was used to study the structure of the carbon deposited on the catalyst surface.

  17. Hydrogen Safety Knowledge Tools

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

    Data Partners Best Practices - LANL, SNL, NREL, NASA, Hydrogen Safety Panel, and IEA HIA Tasks 19 and 22 Incident Reporting - NASA and Hydrogen Safety Panel 3 Objectives H2...

  18. Hydrogen Storage- Basics

    Broader source: Energy.gov [DOE]

    Storing enough hydrogen on-board a vehicle to achieve a driving range of greater than 300 miles is a significant challenge. On a weight basis, hydrogen has nearly three times the energy content of...

  19. Hydrogen Program Overview

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet provides a brief introduction to the DOE Hydrogen Program. It describes the program mission and answers the question: “Why Hydrogen?”

  20. Hydrogen transport membranes

    DOE Patents [OSTI]

    Mundschau, Michael V.

    2005-05-31

    Composite hydrogen transport membranes, which are used for extraction of hydrogen from gas mixtures are provided. Methods are described for supporting metals and metal alloys which have high hydrogen permeability, but which are either too thin to be self supporting, too weak to resist differential pressures across the membrane, or which become embrittled by hydrogen. Support materials are chosen to be lattice matched to the metals and metal alloys. Preferred metals with high permeability for hydrogen include vanadium, niobium, tantalum, zirconium, palladium, and alloys thereof. Hydrogen-permeable membranes include those in which the pores of a porous support matrix are blocked by hydrogen-permeable metals and metal alloys, those in which the pores of a porous metal matrix are blocked with materials which make the membrane impervious to gases other than hydrogen, and cermets fabricated by sintering powders of metals with powders of lattice-matched ceramic.

  1. Method and apparatus for a catalytic firebox reactor

    DOE Patents [OSTI]

    Smith, Lance L.; Etemad, Shahrokh; Ulkarim, Hasan; Castaldi, Marco J.; Pfefferle, William C.

    2001-01-01

    A catalytic firebox reactor employing an exothermic catalytic reaction channel and multiple cooling conduits for creating a partially reacted fuel/oxidant mixture. An oxidation catalyst is deposited on the walls forming the boundary between the multiple cooling conduits and the exothermic catalytic reaction channel, on the side of the walls facing the exothermic catalytic reaction channel. This configuration allows the oxidation catalyst to be backside cooled by any fluid passing through the cooling conduits. The heat of reaction is added to both the fluid in the exothermic catalytic reaction channel and the fluid passing through the cooling conduits. After discharge of the fluids from the exothermic catalytic reaction channel, the fluids mix to create a single combined flow. A further innovation in the reactor incorporates geometric changes in the exothermic catalytic reaction channel to provide streamwise variation of the velocity of the fluids in the reactor.

  2. Catalytic fast pyrolysis of lignocellulosic biomass

    SciTech Connect (OSTI)

    Liu, Changjun; Wang, Huamin; Karim, Ayman M.; Sun, Junming; Wang, Yong

    2014-11-21

    Increasing energy demand, especially in the transportation sector, and soaring CO2 emissions necessitate the exploitation of renewable sources of energy. Despite the large variety of new energy Q3 carriers, liquid hydrocarbon still appears to be the most attractive and feasible form of transportation fuel taking into account the energy density, stability and existing infrastructure. Biomass is an abundant, renewable source of energy; however, utilizing it in a cost-effective way is still a substantial challenge. Lignocellulose is composed of three major biopolymers, namely cellulose, hemicellulose and lignin. Fast pyrolysis of biomass is recognized as an efficient and feasible process to selectively convert lignocellulose into a liquid fuel—bio-oil. However bio-oil from fast pyrolysis contains a large amount of oxygen, distributed in hundreds of oxygenates. These oxygenates are the cause of many negative properties, such as low heating values, high corrosiveness, high viscosity, and instability; they also greatly Q4 limit the application of bio-oil particularly as transportation fuel. Hydrocarbons derived from biomass are most attractive because of their high energy density and compatibility with the existing infrastructure. Thus, converting lignocellulose into transportation fuels via catalytic fast pyrolysis has attracted much attention. Many studies related to catalytic fast pyrolysis of biomass have been published. The main challenge of this process is the development of active and stable catalysts that can deal with a large variety of decomposition intermediates from lignocellulose. This review starts with the current understanding of the chemistry in fast pyrolysis of lignocellulose and focuses on the development of catalysts in catalytic fast pyrolysis. Recent progress in the experimental studies on catalytic fast pyrolysis of biomass is also summarized with the emphasis on bio-oil yields and quality.

  3. Control of a catalytic fluid cracker

    SciTech Connect (OSTI)

    Arbel, A.; Huang, Z.; Rinard, I.; Shinnar, R.

    1993-12-13

    Control offers an important tool for savings in refineries, mainly by integration of process models into on-line control. This paper is part of a research effort to better understand problems of partial control; control of a Fluid Catalytic Cracker (FCC) is used as example. Goal is to understand better the control problems of an FCC in context of model based control of a refinery, and to understand the general problem of designing partial control systems.

  4. Pulsating catalytic combustion of gaseous fuels

    SciTech Connect (OSTI)

    Gal-Ed, R.

    1988-01-01

    This study investigated the feasibility of operating catalytic combustors under pulsating conditions and the circumstances under which acoustic pulsations increase the combustion efficiencies and output of catalytic combustors. An experimental catalytic combustor was developed, and a theoretical model of acoustic motions in non-isothermal, low match number, duct flow was used to predict the acoustic behavior of the combustor. The effects of pulsations were determined by comparing temperature and species concentration data measured during operation with pulsations at different frequencies and pressure amplitudes to similar data measured during non-pulsating combustion. Experiments conducted with lean mixtures of methane or propane with air revealed that acoustic pulsations affected the temperature distribution along the combustor at flow Reynolds numbers less than 17,500. Excitation of pulsations during methane combustion caused shifts in the location of the combustion, and sometimes the onset of extinction of gas phase reactions. This occurred when several catalyst segments were located in the combustion section between an upstream pressure node and a downstream velocity node, defined here as an in phase location. Propane mixtures were used to investigate possible improvements in combustor's performance. Burning propane mixtures on a single catalyst segment at an in phase location showed that the excitation of acoustic pulsations increased the combustion efficiency by 10 to 50%. The changes in the operation of catalytic combustors caused by acoustic waves are explained by acoustic streaming. When the catalyst surfaces are at an in phase location, rotational flows caused by acoustic streaming enhance the reactants and products diffusion rate to and from the catalyst surfaces, respectively, improving combustion efficiency.

  5. Catalytic extraction processing of contaminated scrap metal

    SciTech Connect (OSTI)

    Griffin, T.P.; Johnston, J.E.; Payea, B.M.; Zeitoon, B.M.

    1995-12-01

    Molten Metal Technology was awarded a contract to demonstrate the applicability of the Catalytic Extraction Process, a proprietary process that could be applied to US DOE`s inventory of low level mixed waste. This paper is a description of that technology, and included within this document are discussions of: (1) Program objectives, (2) Overall technology review, (3) Organic feed conversion to synthetic gas, (4) Metal, halogen, and transuranic recovery, (5) Demonstrations, (6) Design of the prototype facility, and (7) Results.

  6. Preface: Challenges for Catalytic Exhaust Aftertreatment

    SciTech Connect (OSTI)

    Nova, Isabella; Epling, Bill; Peden, Charles HF

    2014-03-31

    This special issue of Catalysis Today continues the tradition established since the 18th NAM in Cancun, 2003, of publishing the highlights coming from these catalytic after-treatment technologies sessions, where this volume contains 18 papers based on oral and poster presentations of the 23rd NAM, 2013. The guest editors would like to thank all of the catalyst scientists and engineers who presented in the "Emission control" sessions, and especially the authors who contributed to this special issue of Catalysis Today.

  7. Hydrogen Technologies Safety Guide

    SciTech Connect (OSTI)

    Rivkin, C.; Burgess, R.; Buttner, W.

    2015-01-01

    The purpose of this guide is to provide basic background information on hydrogen technologies. It is intended to provide project developers, code officials, and other interested parties the background information to be able to put hydrogen safety in context. For example, code officials reviewing permit applications for hydrogen projects will get an understanding of the industrial history of hydrogen, basic safety concerns, and safety requirements.

  8. National hydrogen energy roadmap

    SciTech Connect (OSTI)

    None, None

    2002-11-01

    This roadmap provides a blueprint for the coordinated, long-term, public and private efforts required for hydrogen energy development.

  9. Hydrogen Infrastructure Strategies

    Broader source: Energy.gov [DOE]

    Presented at Refueling Infrastructure for Alternative Fuel Vehicles: Lessons Learned for Hydrogen Conference, April 2-3, 2008, Sacramento, California

  10. Degradation Mechanisms of Urea Selective Catalytic Reduction...

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

    10 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. PDF icon ace027peden2010o...

  11. Purification of Hydrogen

    DOE Patents [OSTI]

    Newton, A.S.

    1950-12-05

    Disclosed is a process for purifying hydrogen containing various gaseous impurities by passing the hydrogen over a large surface of uranium metal at a temperature above the decomposition temperature of uranium hydride, and below the decomposition temperature of the compounds formed by the combination of the uranium with the impurities in the hydrogen.

  12. Sensitive hydrogen leak detector

    DOE Patents [OSTI]

    Myneni, Ganapati Rao

    1999-01-01

    A sensitive hydrogen leak detector system using passivation of a stainless steel vacuum chamber for low hydrogen outgassing, a high compression ratio vacuum system, a getter operating at 77.5 K and a residual gas analyzer as a quantitative hydrogen sensor.

  13. Sensitive hydrogen leak detector

    DOE Patents [OSTI]

    Myneni, G.R.

    1999-08-03

    A sensitive hydrogen leak detector system is described which uses passivation of a stainless steel vacuum chamber for low hydrogen outgassing, a high compression ratio vacuum system, a getter operating at 77.5 K and a residual gas analyzer as a quantitative hydrogen sensor. 1 fig.

  14. Flash hydrogenation of coal

    DOE Patents [OSTI]

    Manowitz, Bernard; Steinberg, Meyer; Sheehan, Thomas V.; Winsche, Warren E.; Raseman, Chad J.

    1976-01-01

    A process for the hydrogenation of coal comprising the contacting of powdered coal with hydrogen in a rotating fluidized bed reactor. A rotating fluidized bed reactor suitable for use in this process is also disclosed. The coal residence time in the reactor is limited to less than 5 seconds while the hydrogen contact time is not in excess of 0.2 seconds.

  15. New Materials for Hydrogen Pipelines

    Broader source: Energy.gov [DOE]

    Barriers to Hydrogen Delivery: Existing steel pipelines are subject to hydrogen embrittlement and are inadequate for widespread H2 distribution.

  16. Alternative Fuels Data Center: Hydrogen

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

    Hydrogen Printable Version Share this resource Send a link to Alternative Fuels Data Center: Hydrogen to someone by E-mail Share Alternative Fuels Data Center: Hydrogen on Facebook Tweet about Alternative Fuels Data Center: Hydrogen on Twitter Bookmark Alternative Fuels Data Center: Hydrogen on Google Bookmark Alternative Fuels Data Center: Hydrogen on Delicious Rank Alternative Fuels Data Center: Hydrogen on Digg Find More places to share Alternative Fuels Data Center: Hydrogen on

  17. Hydrogen separation process

    DOE Patents [OSTI]

    Mundschau, Michael; Xie, Xiaobing; Evenson, IV, Carl; Grimmer, Paul; Wright, Harold

    2011-05-24

    A method for separating a hydrogen-rich product stream from a feed stream comprising hydrogen and at least one carbon-containing gas, comprising feeding the feed stream, at an inlet pressure greater than atmospheric pressure and a temperature greater than 200.degree. C., to a hydrogen separation membrane system comprising a membrane that is selectively permeable to hydrogen, and producing a hydrogen-rich permeate product stream on the permeate side of the membrane and a carbon dioxide-rich product raffinate stream on the raffinate side of the membrane. A method for separating a hydrogen-rich product stream from a feed stream comprising hydrogen and at least one carbon-containing gas, comprising feeding the feed stream, at an inlet pressure greater than atmospheric pressure and a temperature greater than 200.degree. C., to an integrated water gas shift/hydrogen separation membrane system wherein the hydrogen separation membrane system comprises a membrane that is selectively permeable to hydrogen, and producing a hydrogen-rich permeate product stream on the permeate side of the membrane and a carbon dioxide-rich product raffinate stream on the raffinate side of the membrane. A method for pretreating a membrane, comprising: heating the membrane to a desired operating temperature and desired feed pressure in a flow of inert gas for a sufficient time to cause the membrane to mechanically deform; decreasing the feed pressure to approximately ambient pressure; and optionally, flowing an oxidizing agent across the membrane before, during, or after deformation of the membrane. A method of supporting a hydrogen separation membrane system comprising selecting a hydrogen separation membrane system comprising one or more catalyst outer layers deposited on a hydrogen transport membrane layer and sealing the hydrogen separation membrane system to a porous support.

  18. Molecular Foundry

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

    ... Revealing the Fluctuations of Flexible DNA in 3D First-of-their-kind images by Molecular ... Electronic Landscapes of Molecular Nanostructures: Mapping States for Charge Transfer with ...

  19. Molecular Dynameomics

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

    Dynameomics Molecular Dynameomics DaggettHiResWhitebg.png Key Challenges: Perform molecular dynamics simulations to characterize both native (i.e. biologically active) and...

  20. Hydrogenation of O and OH on Pt(111): A comparison between the reaction rates of the first and the second hydrogen addition steps

    SciTech Connect (OSTI)

    Nslund, L.-., E-mail: lars-ake.naslund@liu.se [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

    2014-03-14

    The formation of water through hydrogenation of oxygen on platinum occurs at a surprisingly low reaction rate. The reaction rate limited process for this catalytic reaction is, however, yet to be settled. In the present work, the reaction rates of the first and the second hydrogen addition steps are compared when hydrogen is obtained through intense synchrotron radiation that induces proton production in a water overlayer on top of the adsorbed oxygen species. A substantial amount of the produced hydrogen diffuses to the platinum surface and promotes water formation at the two starting conditions O/Pt(111) and (H{sub 2}O+OH)/Pt(111). The comparison shows no significant difference in the reaction rate between the first and the second hydrogen addition steps, which indicates that the rate determining process of the water formation from oxygen on Pt(111) is neither the first nor the second H addition step or, alternatively, that both H addition steps exert rate control.

  1. Catalytic hydrotreating of biomass liquefaction products to produce hydrocarbon fuels: Interim report

    SciTech Connect (OSTI)

    Elliott, D.C.; Baker, E.G.

    1986-03-01

    Research catalytic hydrotreatment of biomass liquefaction products to a gasoline has been technically demonstrated in a bench-scale continuous processing unit. This report describes the development of the chemistry needed for hydrotreatment of both high pressure and pyrolyzate biomass liquefaction products and outlines the important processing knowledge gained by the research. Catalyst identity is important in hydrotreatment of phenolics. Hydrogenation catalysts such as palladium, copper chromite, cobalt and nickel show activity with nickel being the most active. Major products include benzene, cyclohexane, and cyclohexanone. The hydrotreating catalysts cobalt-molybdenum, nickel-molybdenum and nickel-tungsten exhibit some activity when added to the reactor in the oxide form and show a great specificity for hydrodeoxygenation of phenol without saturation of the benzene product. The sulfide form of these catalysts is much more active than the oxide form and, in the case of the cobalt-molybdenum, much of the specificity for hydrodeoxygenation is retained. Substitution on the phenolic ring has only marginal effects on the hydrotreating reaction. However, the methoxy (OCH/sub 3/) substituent on the phenol ring is thermally unstable relative to other phenolics tested. The pyrolysis products dominate the product distribution when cobalt-molybdenum is used as the hydrotreating catalyst for methoxyphenol. The product from catalytic hydrotreatment of high-pressure biomass liquefaction products confirms the model compounds studies. Catalytic processing at 350 to 400/sup 0/C and 2000 psig with the sulfided cobalt-molybdenum or nickel-molybdenum catalyst produced a gasoline-like product composed of cyclic and aromatic compounds. Oxygen contents in products were in the range of 0 to 0.7 wt % and hydrogen to carbon atomic ratios ranged from 1.5 to 2.0. 46 refs., 10 figs., 21 tabs.

  2. Onboard Plasmatron Hydrogen Production for Improved Vehicles

    SciTech Connect (OSTI)

    Daniel R. Cohn; Leslie Bromberg; Kamal Hadidi

    2005-12-31

    A plasmatron fuel reformer has been developed for onboard hydrogen generation for vehicular applications. These applications include hydrogen addition to spark-ignition internal combustion engines, NOx trap and diesel particulate filter (DPF) regeneration, and emissions reduction from spark ignition internal combustion engines First, a thermal plasmatron fuel reformer was developed. This plasmatron used an electric arc with relatively high power to reform fuels such as gasoline, diesel and biofuels at an oxygen to carbon ratio close to 1. The draw back of this device was that it has a high electric consumption and limited electrode lifetime due to the high temperature electric arc. A second generation plasmatron fuel reformer was developed. It used a low-current high-voltage electric discharge with a completely new electrode continuation. This design uses two cylindrical electrodes with a rotating discharge that produced low temperature volumetric cold plasma., The lifetime of the electrodes was no longer an issue and the device was tested on several fuels such as gasoline, diesel, and biofuels at different flow rates and different oxygen to carbon ratios. Hydrogen concentration and yields were measured for both the thermal and non-thermal plasmatron reformers for homogeneous (non-catalytic) and catalytic reforming of several fuels. The technology was licensed to an industrial auto part supplier (ArvinMeritor) and is being implemented for some of the applications listed above. The Plasmatron reformer has been successfully tested on a bus for NOx trap regeneration. The successful development of the plasmatron reformer and its implementation in commercial applications including transportation will bring several benefits to the nation. These benefits include the reduction of NOx emissions, improving engine efficiency and reducing the nation's oil consumption. The objective of this program has been to develop attractive applications of plasmatron fuel reformer technology for onboard applications in internal combustion engine vehicles using diesel, gasoline and biofuels. This included the reduction of NOx and particulate matter emissions from diesel engines using plasmatron reformer generated hydrogen-rich gas, conversion of ethanol and bio-oils into hydrogen rich gas, and the development of new concepts for the use of plasmatron fuel reformers for enablement of HCCI engines.

  3. Recent progress in enhancing solar-to-hydrogen efficiency

    SciTech Connect (OSTI)

    Chen, Jianqing; Yang, Donghui; Song, Dan; Jiang, Jinghua; Ma, Aibin; Hu, Michael Z.; Ni, Chaoying

    2015-01-01

    Solar water splitting is a promising and ideal route for renewable production of hydrogen by using the most abundant resources of solar light and water. Focusing on the working principal of solar water splitting, including photon absorption and exciton generation in semiconductor, exciton separation and transfer to the surface of semiconductor, and respective electron and hole reactions with absorbed surface species to generate hydrogen and oxygen, this review covers the comprehensive efforts and findings made in recent years on the improvement for the solar-to-hydrogen efficiency (STH) determined by a combination of light absorption process, charge separation and migration, and catalytic reduction and oxidation reactions. Critical evaluation is attempted on the strategies for improving solar light harvesting efficiency, enhancing charge separation and migration, and improving surface reactions. Towards the end, new and emerging technologies for boosting the STH efficiency are discussed on multiple exciton generation, up-conversion, multi-strategy modifications and the potentials of organometal hybrid perovskite materials.

  4. Hydrogen Filling Station

    SciTech Connect (OSTI)

    Boehm, Robert F; Sabacky, Bruce; Anderson II, Everett B; Haberman, David; Al-Hassin, Mowafak; He, Xiaoming; Morriseau, Brian

    2010-02-24

    Hydrogen is an environmentally attractive transportation fuel that has the potential to displace fossil fuels. The Freedom CAR and Freedom FUEL initiatives emphasize the importance of hydrogen as a future transportation fuel. Presently, Las Vegas has one hydrogen fueling station powered by natural gas. However, the use of traditional sources of energy to produce hydrogen does not maximize the benefit. The hydrogen fueling station developed under this grant used electrolysis units and solar energy to produce hydrogen fuel. Water and electricity are furnished to the unit and the output is hydrogen and oxygen. Three vehicles were converted to utilize the hydrogen produced at the station. The vehicles were all equipped with different types of technologies. The vehicles were used in the day-to-day operation of the Las Vegas Valley Water District and monitoring was performed on efficiency, reliability and maintenance requirements. The research and demonstration utilized for the reconfiguration of these vehicles could lead to new technologies in vehicle development that could make hydrogen-fueled vehicles more cost effective, economical, efficient and more widely used. In order to advance the development of a hydrogen future in Southern Nevada, project partners recognized a need to bring various entities involved in hydrogen development and deployment together as a means of sharing knowledge and eliminating duplication of efforts. A road-mapping session was held in Las Vegas in June 2006. The Nevada State Energy Office, representatives from DOE, DOE contractors and LANL, NETL, NREL were present. Leadership from the National hydrogen Association Board of Directors also attended. As a result of this session, a roadmap for hydrogen development was created. This roadmap has the ability to become a tool for use by other road-mapping efforts in the hydrogen community. It could also become a standard template for other states or even countries to approach planning for a hydrogen future. Project partners also conducted a workshop on hydrogen safety and permitting. This provided an opportunity for the various permitting agencies and end users to gather to share experiences and knowledge. As a result of this workshop, the permitting process for the hydrogen filling station on the Las Vegas Valley Water District’s land was done more efficiently and those who would be responsible for the operation were better educated on the safety and reliability of hydrogen production and storage. The lessons learned in permitting the filling station and conducting this workshop provided a basis for future hydrogen projects in the region. Continuing efforts to increase the working pressure of electrolysis and efficiency have been pursued. Research was also performed on improving the cost, efficiency and durability of Proton Exchange Membrane (PEM) hydrogen technology. Research elements focused upon PEM membranes, electrodes/catalysts, membrane-electrode assemblies, seals, bipolar plates, utilization of renewable power, reliability issues, scale, and advanced conversion topics. Additionally, direct solar-to-hydrogen conversion research to demonstrate stable and efficient photoelectrochemistry (PEC) hydrogen production systems based on a number of optional concepts was performed. Candidate PEC concepts included technical obstacles such as inefficient photocatalysis, inadequate photocurrent due to non-optimal material band gap energies, rapid electron-hole recombination, reduced hole mobility and diminished operational lifetimes of surface materials exposed to electrolytes. Project Objective 1: Design, build, operate hydrogen filling station Project Objective 2: Perform research and development for utilizing solar technologies on the hydrogen filling station and convert two utility vehicles for use by the station operators Project Objective 3: Increase capacity of hydrogen filling station; add additional vehicle; conduct safety workshop; develop a roadmap for hydrogen development; accelerate the development of photovoltaic components Project Objective 4: Perform research on the Proton Exchange membrane

  5. C1 CHEMISTRY FOR THE PRODUCTION OF ULTRA-CLEAN LIQUID TRANSPORTATION FUELS AND HYDROGEN

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2003-09-30

    The Consortium for Fossil Fuel Science (CFFS) is a research consortium with participants from the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University. The CFFS is conducting a research program to develop C1 chemistry technology for the production of clean transportation fuel from resources such as coal and natural gas, which are more plentiful domestically than petroleum. The processes under development will convert feedstocks containing one carbon atom per molecular unit into ultra clean liquid transportation fuels (gasoline, diesel, and jet fuel) and hydrogen, which many believe will be the transportation fuel of the future. These feedstocks include synthesis gas, a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. Some highlights of the results obtained during the first year of the current research contract are summarized as: (1) Terminal alkynes are an effective chain initiator for Fischer-Tropsch (FT) reactions, producing normal paraffins with C numbers {ge} to that of the added alkyne. (2) Significant improvement in the product distribution towards heavier hydrocarbons (C{sub 5} to C{sub 19}) was achieved in supercritical fluid (SCF) FT reactions compared to that of gas-phase reactions. (3) Xerogel and aerogel silica supported cobalt catalysts were successfully employed for FT synthesis. Selectivity for diesel range products increased with increasing Co content. (4) Silicoaluminophosphate (SAPO) molecular sieve catalysts have been developed for methanol to olefin conversion, producing value-added products such as ethylene and propylene. (5) Hybrid Pt-promoted tungstated and sulfated zirconia catalysts are very effective in cracking n-C{sub 36} to jet and diesel fuel; these catalysts will be tested for cracking of FT wax. (6) Methane, ethane, and propane are readily decomposed to pure hydrogen and carbon nanotubes using binary Fe-based catalysts containing Mo, Ni, or Pd in a single step non-oxidative reaction. (7) Partial dehydrogenation of liquid hydrocarbons (cyclohexane and methyl cyclohexane) has been performed using catalysts consisting of Pt and other metals on stacked-cone carbon nanotubes. (8) An understanding of the catalytic reaction mechanisms of the catalysts developed in the CFFS C1 program is being achieved by structural characterization using multiple techniques, including XAFS and Moessbauer spectroscopy, XRD, TEM, NMR, ESR, and magnetometry.

  6. Heavy oil catalytic cracking process and apparatus (Patent) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Heavy oil catalytic cracking process and apparatus Citation Details In-Document Search Title: Heavy oil catalytic cracking process and apparatus This paper describes a fluidized catalytic cracking process for catalytic cracking of a feed comprising hydrocarbons having a boiling point about 750 F. It comprises: a catalytically cracking the feed in a catalytic cracking zone riser reactor having a height in excess of 30 meters at catalytic cracking conditions by contacting the feed with

  7. Ultrafine hydrogen storage powders

    DOE Patents [OSTI]

    Anderson, Iver E.; Ellis, Timothy W.; Pecharsky, Vitalij K.; Ting, Jason; Terpstra, Robert; Bowman, Robert C.; Witham, Charles K.; Fultz, Brent T.; Bugga, Ratnakumar V.

    2000-06-13

    A method of making hydrogen storage powder resistant to fracture in service involves forming a melt having the appropriate composition for the hydrogen storage material, such, for example, LaNi.sub.5 and other AB.sub.5 type materials and AB.sub.5+x materials, where x is from about -2.5 to about +2.5, including x=0, and the melt is gas atomized under conditions of melt temperature and atomizing gas pressure to form generally spherical powder particles. The hydrogen storage powder exhibits improved chemcial homogeneity as a result of rapid solidfication from the melt and small particle size that is more resistant to microcracking during hydrogen absorption/desorption cycling. A hydrogen storage component, such as an electrode for a battery or electrochemical fuel cell, made from the gas atomized hydrogen storage material is resistant to hydrogen degradation upon hydrogen absorption/desorption that occurs for example, during charging/discharging of a battery. Such hydrogen storage components can be made by consolidating and optionally sintering the gas atomized hydrogen storage powder or alternately by shaping the gas atomized powder and a suitable binder to a desired configuration in a mold or die.

  8. Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway |

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

    Department of Energy of Sugars to Hydrocarbons Technology Pathway Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway This technology pathway case investigates the catalytic conversion of solubilized carbohydrate streams to hydrocarbon biofuels, utilizing data from recent efforts within the National Advanced Biofuels Consortium (NABC) in collaboration with Virent, Inc. Technical barriers and key research needs that should be pursued for the catalytic conversion of sugars pathway

  9. Ex-Situ Catalytic Fast Pyrolysis Technology Pathway (Technical Report) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Ex-Situ Catalytic Fast Pyrolysis Technology Pathway Citation Details In-Document Search Title: Ex-Situ Catalytic Fast Pyrolysis Technology Pathway This technology pathway case investigates converting woody biomass using ex-situ catalytic fast pyrolysis followed by upgrading to gasoline-, diesel-, and jet-range hydrocarbon blendstocks. Technical barriers and key research needs that should be pursued for this pathway to be competitive with petroleum-derived blendstocks have

  10. In-Situ Catalytic Fast Pyrolysis Technology Pathway (Technical Report) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect In-Situ Catalytic Fast Pyrolysis Technology Pathway Citation Details In-Document Search Title: In-Situ Catalytic Fast Pyrolysis Technology Pathway This technology pathway case investigates converting woody biomass using in-situ catalytic fast pyrolysis followed by upgrading to gasoline-, diesel-, and jet-range hydrocarbon blendstocks. Technical barriers and key research needs that should be pursued for this pathway to be competitive with petroleum-derived blendstocks have

  11. Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway (Technical

    Office of Scientific and Technical Information (OSTI)

    Report) | SciTech Connect Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway Citation Details In-Document Search Title: Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway This technology pathway case investigates the catalytic conversion of solubilized carbohydrate streams to hydrocarbon biofuels, utilizing data from recent efforts within the National Advanced Biofuels Consortium (NABC) in collaboration with Virent, Inc. Technical barriers and key research needs

  12. 15.02.10 RH Transparent Catalytic - JCAP

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

    Transparent Catalytic Nickel Oxide Protecting Films for Photoanodes Sun, K. et al. Stable solar-driven oxidation of water by semiconducting photoanodes protected by transparent catalytic nickel oxide films. PNAS 112 ( 12), 3612-3617, DOI: 10.1073/ pnas . 1423034112 (2015). Scientific Achievement Reactively sputtered NiOx layer provides a transparent, anti-reflective, conductive, chemically stable, inherently catalytic coating that stabilizes many efficient and technologically important

  13. Positional effects of hydroxy groups on catalytic activity of proton-responsive half-sandwich Cp*Iridium(III) complexes

    SciTech Connect (OSTI)

    Suna, Yuki; Fujita, Etsuko; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Himeda, Yuichiro

    2014-11-24

    Proton-responsive half-sandwich Cp*Ir(III) complexes possessing a bipyridine ligand with two hydroxy groups at the 3,3'-, 4,4'-, 5,5'- or 6,6'-positions (3DHBP, 4DHBP, 5DHBP, or 6DHBP) were systematically investigated. UV-vis titration data provided average pK a values of the hydroxy groups on the ligands. Both hydroxy groups were found to deprotonate in the pH 4.65.6 range for the 46DHBP complexes. One of the hydroxy groups of the 3DHBP complex exhibited the low pKa value of < 0.4 because the deprotonation is facilitated by the strong intramolecular hydrogen bond formed between the generated oxyanion and the remaining hydroxy group, which in turn leads to an elevated pKa value of ~13.6 for the second deprotonation step. The crystal structures of the 4 and 6DHBP complexes obtained from basic aqueous solutions revealed their deprotonated forms. The intramolecular hydrogen bond in the 3DHBP complex was also observed in the crystal structures. The catalytic activities of these complexes in aqueous phase reactions, at appropriate pH, for hydrogenation of carbon dioxide (pH 8.5), dehydrogenation of formic acid (pH 1.8), transfer hydrogenation reactions using formic acid/formate as a hydrogen source (pH 7.2 and 2.6) were investigated to compare the positional effects of the hydroxy groups. The 4 and 6DHBP complexes exhibited remarkably enhanced catalytic activities under basic conditions because of the resonance effect of the strong electrondonating oxyanions, whereas the 5DHBP complex exhibited negligible activity despite the presence of electron-donating groups. The 3DHBP complex exhibited relatively high catalytic activity at low pH owing to the one strong electron-donating oxyanion group stabilized by the intramolecular hydrogen bond. DFT calculations were employed to study the mechanism of CO? hydrogenation by the 4DHBP and 6DHBP complexes, and comparison of the activation free energies of the H? heterolysis and CO? insertion steps indicated that H? heterolysis is the rate-determining step for both complexes. The presence of a pendent base in the 6DHBP complex was found to facilitate the rate-determining step, and renders 6DHBP a more effective catalyst for formate production.

  14. Positional effects of hydroxy groups on catalytic activity of proton-responsive half-sandwich Cp*Iridium(III) complexes

    SciTech Connect (OSTI)

    Suna, Yuki; Fujita, Etsuko; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Himeda, Yuichiro

    2014-11-12

    Proton-responsive half-sandwich Cp*Ir(III) complexes possessing a bipyridine ligand with two hydroxy groups at the 3,3'-, 4,4'-, 5,5'- or 6,6'-positions (3DHBP, 4DHBP, 5DHBP, or 6DHBP) were systematically investigated. UV-vis titration data provided average pK a values of the hydroxy groups on the ligands. Both hydroxy groups were found to deprotonate in the pH 4.65.6 range for the 46DHBP complexes. One of the hydroxy groups of the 3DHBP complex exhibited the low pKa value of < 0.4 because the deprotonation is facilitated by the strong intramolecular hydrogen bond formed between the generated oxyanion and the remaining hydroxy group, which in turn leads to an elevated pKa value of ~13.6 for the second deprotonation step. The crystal structures of the 4 and 6DHBP complexes obtained from basic aqueous solutions revealed their deprotonated forms. The intramolecular hydrogen bond in the 3DHBP complex was also observed in the crystal structures. The catalytic activities of these complexes in aqueous phase reactions, at appropriate pH, for hydrogenation of carbon dioxide (pH 8.5), dehydrogenation of formic acid (pH 1.8), transfer hydrogenation reactions using formic acid/formate as a hydrogen source (pH 7.2 and 2.6) were investigated to compare the positional effects of the hydroxy groups. The 4 and 6DHBP complexes exhibited remarkably enhanced catalytic activities under basic conditions because of the resonance effect of the strong electrondonating oxyanions, whereas the 5DHBP complex exhibited negligible activity despite the presence of electron-donating groups. The 3DHBP complex exhibited relatively high catalytic activity at low pH owing to the one strong electron-donating oxyanion group stabilized by the intramolecular hydrogen bond. DFT calculations were employed to study the mechanism of CO? hydrogenation by the 4DHBP and 6DHBP complexes, and comparison of the activation free energies of the H? heterolysis and CO? insertion steps indicated that H? heterolysis is the rate-determining step for both complexes. The presence of a pendent base in the 6DHBP complex was found to facilitate the rate-determining step, and renders 6DHBP a more effective catalyst for formate production.

  15. Positional effects of hydroxy groups on catalytic activity of proton-responsive half-sandwich Cp*Iridium(III) complexes

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

    Suna, Yuki; Fujita, Etsuko; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Himeda, Yuichiro

    2014-11-12

    Proton-responsive half-sandwich Cp*Ir(III) complexes possessing a bipyridine ligand with two hydroxy groups at the 3,3'-, 4,4'-, 5,5'- or 6,6'-positions (3DHBP, 4DHBP, 5DHBP, or 6DHBP) were systematically investigated. UV-vis titration data provided average pK a values of the hydroxy groups on the ligands. Both hydroxy groups were found to deprotonate in the pH 4.6–5.6 range for the 4–6DHBP complexes. One of the hydroxy groups of the 3DHBP complex exhibited the low pKa value of < 0.4 because the deprotonation is facilitated by the strong intramolecular hydrogen bond formed between the generated oxyanion and the remaining hydroxy group, which in turn leadsmore » to an elevated pKa value of ~13.6 for the second deprotonation step. The crystal structures of the 4– and 6DHBP complexes obtained from basic aqueous solutions revealed their deprotonated forms. The intramolecular hydrogen bond in the 3DHBP complex was also observed in the crystal structures. The catalytic activities of these complexes in aqueous phase reactions, at appropriate pH, for hydrogenation of carbon dioxide (pH 8.5), dehydrogenation of formic acid (pH 1.8), transfer hydrogenation reactions using formic acid/formate as a hydrogen source (pH 7.2 and 2.6) were investigated to compare the positional effects of the hydroxy groups. The 4– and 6DHBP complexes exhibited remarkably enhanced catalytic activities under basic conditions because of the resonance effect of the strong electrondonating oxyanions, whereas the 5DHBP complex exhibited negligible activity despite the presence of electron-donating groups. The 3DHBP complex exhibited relatively high catalytic activity at low pH owing to the one strong electron-donating oxyanion group stabilized by the intramolecular hydrogen bond. DFT calculations were employed to study the mechanism of CO₂ hydrogenation by the 4DHBP and 6DHBP complexes, and comparison of the activation free energies of the H₂ heterolysis and CO₂ insertion steps indicated that H₂ heterolysis is the rate-determining step for both complexes. The presence of a pendent base in the 6DHBP complex was found to facilitate the rate-determining step, and renders 6DHBP a more effective catalyst for formate production.« less

  16. In-Situ Catalytic Fast Pyrolysis Technology Pathway | Department...

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

    needs that should be pursued for this pathway to be competitive with petroleum-derived blendstocks have been identified. In-Situ Catalytic Fast Pyrolysis Technology Pathway...

  17. New Catalytic Approach Builds Molecules with Specific Functionality...

    Office of Science (SC) Website

    The Center for Catalytic Hydrocarbon Functionalization (CCHF), a DOE funded Energy Frontier Research Center, is developing efficient catalysts for conversion of hydrocarbons into ...

  18. Passive Catalytic Approach to Low Temperature NOx Emission Abatement

    Broader source: Energy.gov [DOE]

    Numerically evaluated and optimized proposed state-of-the-art passive catalytic technology designed to reduce NOx released during vehicle cold start portion of the FTP-75 cycle

  19. Piloted rich-catalytic lean-burn hybrid combustor

    DOE Patents [OSTI]

    Newburry, Donald Maurice

    2002-01-01

    A catalytic combustor assembly which includes, an air source, a fuel delivery means, a catalytic reactor assembly, a mixing chamber, and a means for igniting a fuel/air mixture. The catalytic reactor assembly is in fluid communication with the air source and fuel delivery means and has a fuel/air plenum which is coated with a catalytic material. The fuel/air plenum has cooling air conduits passing therethrough which have an upstream end. The upstream end of the cooling conduits is in fluid communication with the air source but not the fuel delivery means.

  20. Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway...

    Office of Scientific and Technical Information (OSTI)

    Technical barriers and key research needs that should be pursued for the catalytic ... Country of Publication: United States Language: English Subject: 09 BIOMASS FUELS; 59 ...

  1. Fuel-Flexible, Low-Emissions Catalytic Combustor for Opportunity...

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

    to develop a unique, fuel-flexible catalytic combustor capable of enabling ultra-low emission, lean premixed combustion of a wide range of gaseous opportunity fuels. Fact...

  2. Catalytic reduction system for oxygen-rich exhaust

    DOE Patents [OSTI]

    Vogtlin, George E.; Merritt, Bernard T.; Hsiao, Mark C.; Wallman, P. Henrik; Penetrante, Bernardino M.

    1999-01-01

    Non-thermal plasma gas treatment is combined with selective catalytic reduction to enhance NO.sub.x reduction in oxygen-rich vehicle engine exhausts.

  3. Covalent Organic Frameworks Comprising Cobalt Porphyrins for Catalytic CO2

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

    Reduction | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Covalent Organic Frameworks Comprising Cobalt Porphyrins for Catalytic CO2 Reduction

  4. Chemistry, phase formation, and catalytic activity of thinpalladium...

    Office of Scientific and Technical Information (OSTI)

    Title: Chemistry, phase formation, and catalytic activity of thin palladium-containing oxide films synthesized by plasma-assisted physical vapor deposition The chemistry, ...

  5. DFT Investigation of the Catalytic Hydromethylation ofalpha-Olefins...

    Office of Scientific and Technical Information (OSTI)

    DFT Investigation of the Catalytic Hydromethylation ofalpha-Olefins bvy Metallocenes. 1. Difference betrween Scandium andLutetium in Propene Hydromethylation Citation Details ...

  6. Catalytic reduction system for oxygen-rich exhaust

    DOE Patents [OSTI]

    Vogtlin, G.E.; Merritt, B.T.; Hsiao, M.C.; Wallman, P.H.; Penetrante, B.M.

    1999-04-13

    Non-thermal plasma gas treatment is combined with selective catalytic reduction to enhance NO{sub x} reduction in oxygen-rich vehicle engine exhausts. 8 figs.

  7. Fuel-Flexible, Low-Emissions Catalytic Combustor for Opportunity...

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

    the Next Generation Manufacturing Processes project to develop a unique, fuel-flexible catalytic combustor capable of enabling ultra-low emission, lean premixed combustion of a ...

  8. Dispersion of Hydrogen Clouds

    SciTech Connect (OSTI)

    Michael R. Swain; Eric S. Grilliot; Matthew N. Swain

    2000-06-30

    The following is the presentation of a simplification of the Hydrogen Risk Assessment Method previously developed at the University of Miami. It has been found that for simple enclosures, hydrogen leaks can be simulated with helium leaks to predict the concentrations of hydrogen gas produced. The highest concentrations of hydrogen occur near the ceiling after the initial transients disappear. For the geometries tested, hydrogen concentrations equal helium concentrations for the conditions of greatest concern (near the ceiling after transients disappear). The data supporting this conclusion is presented along with a comparison of hydrogen, LPG, and gasoline leakage from a vehicle parked in a single car garage. A short video was made from the vehicle fuel leakage data.

  9. Hydrogenation of carbonaceous materials

    DOE Patents [OSTI]

    Friedman, Joseph (Encino, CA); Oberg, Carl L. (Canoga Park, CA); Russell, Larry H. (Agoura, CA)

    1980-01-01

    A method for reacting pulverized coal with heated hydrogen-rich gas to form hydrocarbon liquids suitable for conversion to fuels wherein the reaction involves injection of pulverized coal entrained in a minimum amount of gas and mixing the entrained coal at ambient temperature with a separate source of heated hydrogen. In accordance with the present invention, the hydrogen is heated by reacting a small portion of the hydrogen-rich gas with oxygen in a first reaction zone to form a gas stream having a temperature in excess of about 1000.degree. C. and comprising a major amount of hydrogen and a minor amount of water vapor. The coal particles then are reacted with the hydrogen in a second reaction zone downstream of the first reaction zone. The products of reaction may be rapidly quenched as they exit the second reaction zone and are subsequently collected.

  10. Accelerated Molecular Dynamics Methods | Department of Energy

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

    Molecular Dynamics Methods Accelerated Molecular Dynamics Methods This presentation on Accelerated Molecular Dynamics Methods was given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006. PDF icon storage_theory_session_voter.pdf More Documents & Publications Simulations of Kinetic Events at the Atomic Scale Transportation, Aging and Disposal Canister System Performance Specification: Revision 1 Waste Characterization, Reduction, and Repackaging Facility (WCRRF)

  11. Hydrogen powered bus

    ScienceCinema (OSTI)

    None

    2013-11-22

    Take a ride on a new type of bus, fueled by hydrogen. These hydrogen taxis are part of a Department of Energy-funded deployment of hydrogen powered vehicles and fueling infrastructure at nine federal facilities across the country to demonstrate this market-ready advanced technology. Produced and leased by Ford Motor Company , they consist of one 12- passenger bus and one nine-passenger bus. More information at: http://go.usa.gov/Tgr

  12. National hydrogen energy roadmap

    SciTech Connect (OSTI)

    None, None

    2002-11-01

    This report was unveiled by Energy Secretary Spencer Abraham in November 2002 and provides a blueprint for the coordinated, long-term, public and private efforts required for hydrogen energy development. Based on the results of the government-industry National Hydrogen Energy Roadmap Workshop, held in Washington, DC on April 2-3, 2002, it displays the development of a roadmap for America's clean energy future and outlines the key barriers and needs to achieve the hydrogen vision goals defined in

  13. HYDROGEN ISOTOPE TARGETS

    DOE Patents [OSTI]

    Ashley, R.W.

    1958-08-12

    The design of targets for use in the investigation of nuclear reactions of hydrogen isotopes by bombardment with accelerated particles is described. The target con struction eomprises a backing disc of a metal selected from the group consisting of molybdenunn and tungsten, a eoating of condensed titaniunn on the dise, and a hydrogen isotope selected from the group consisting of deuterium and tritium absorbed in the coatiag. The proeess for preparing these hydrogen isotope targets is described.

  14. Catalytic reactor for low-Btu fuels

    DOE Patents [OSTI]

    Smith, Lance; Etemad, Shahrokh; Karim, Hasan; Pfefferle, William C.

    2009-04-21

    An improved catalytic reactor includes a housing having a plate positioned therein defining a first zone and a second zone, and a plurality of conduits fabricated from a heat conducting material and adapted for conducting a fluid therethrough. The conduits are positioned within the housing such that the conduit exterior surfaces and the housing interior surface within the second zone define a first flow path while the conduit interior surfaces define a second flow path through the second zone and not in fluid communication with the first flow path. The conduit exits define a second flow path exit, the conduit exits and the first flow path exit being proximately located and interspersed. The conduits define at least one expanded section that contacts adjacent conduits thereby spacing the conduits within the second zone and forming first flow path exit flow orifices having an aggregate exit area greater than a defined percent of the housing exit plane area. Lastly, at least a portion of the first flow path defines a catalytically active surface.

  15. Integrating catalytic coal gasifiers with solid oxide fuel cells

    SciTech Connect (OSTI)

    Siefert, N.; Shamsi, A.; Shekhawat, D.; Berry, D.

    2010-01-01

    A review was conducted for coal gasification technologies that integrate with solid oxide fuel cells (SOFC) to achieve system efficiencies near 60% while capturing and sequestering >90% of the carbon dioxide [1-2]. The overall system efficiency can reach 60% when a) the coal gasifier produces a syngas with a methane composition of roughly 25% on a dry volume basis, b) the carbon dioxide is separated from the methane-rich synthesis gas, c) the methane-rich syngas is sent to a SOFC, and d) the off-gases from the SOFC are recycled back to coal gasifier. The thermodynamics of this process will be reviewed and compared to conventional processes in order to highlight where available work (i.e. exergy) is lost in entrained-flow, high-temperature gasification, and where exergy is lost in hydrogen oxidation within the SOFC. The main advantage of steam gasification of coal to methane and carbon dioxide is that the amount of exergy consumed in the gasifier is small compared to conventional, high temperature, oxygen-blown gasifiers. However, the goal of limiting the amount of exergy destruction in the gasifier has the effect of limiting the rates of chemical reactions. Thus, one of the main advantages of steam gasification leads to one of its main problems: slow reaction kinetics. While conventional entrained-flow, high-temperature gasifiers consume a sizable portion of the available work in the coal oxidation, the consumed exergy speeds up the rates of reactions. And while the rates of steam gasification reactions can be increased through the use of catalysts, only a few catalysts can meet cost requirements because there is often significant deactivation due to chemical reactions between the inorganic species in the coal and the catalyst. Previous research into increasing the kinetics of steam gasification will be reviewed. The goal of this paper is to highlight both the challenges and advantages of integrating catalytic coal gasifiers with SOFCs.

  16. Thin film hydrogen sensor

    DOE Patents [OSTI]

    Lauf, Robert J.; Hoffheins, Barbara S.; Fleming, Pamela H.

    1994-01-01

    A hydrogen sensor element comprises an essentially inert, electrically-insulating substrate having a thin-film metallization deposited thereon which forms at least two resistors on the substrate. The metallization comprises a layer of Pd or a Pd alloy for sensing hydrogen and an underlying intermediate metal layer for providing enhanced adhesion of the metallization to the substrate. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors, and at least one of the resistors is left uncovered. The difference in electrical resistances of the covered resistor and the uncovered resistor is related to hydrogen concentration in a gas to which the sensor element is exposed.

  17. Hydrogen Generator Appliance

    Broader source: Energy.gov [DOE]

    Presentation by Gus Block, Nuvera Fuel Cells, at the Natural Gas and Hydrogen Infrastructure Opportunities Workshop held October 18-19, 2011, in Lemont, Illinois.

  18. Hydrogen permeation resistant barrier

    DOE Patents [OSTI]

    McGuire, J.C.; Brehm, W.F.

    1980-02-08

    A hydrogen permeation resistant barrier is formed by diffusing aluminum into an iron or nickel alloy and forming an intermetallic aluminide layer.

  19. Hydrogen permeation resistant barrier

    DOE Patents [OSTI]

    McGuire, Joseph C.; Brehm, William F.

    1982-01-01

    A hydrogen permeation resistant barrier is formed by diffusing aluminum into an iron or nickel alloy and forming an intermetallic aluminide layer.

  20. Hydrogen Release Behavior

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  1. Hydrogen Delivery Roadmap

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

    ... (United States Driving Research and Innovation for Vehicle efficiency and Energy ... In addition, the need for lower-cost, more reliable, and more durable hydrogen central ...

  2. Renewable Hydrogen (Presentation)

    SciTech Connect (OSTI)

    Remick, R. J.

    2009-11-16

    Presentation about the United State's dependence on oil, how energy solutions are challenging, and why hydrogen should be considered as a long-term alternative for transportation fuel.

  3. Hydrogen Storage System Challenges

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

    System Challenges Advanced Composite Materials for Cold and Cryogenic Hydrogen Storage Applications in Fuel Cell Electric Vehicles October 29 th , 2015 Mike Veenstra Ford Research ...

  4. Hydrogen ion microlithography

    DOE Patents [OSTI]

    Tsuo, Y. Simon (Lakewood, CO); Deb, Satyen K. (Boulder, CO)

    1990-01-01

    Disclosed is a hydrogen ion microlithography process for use in microelectronic fabrication and semiconductor device processing. The process comprises the steps of providing a single layer of either an amorphous silicon or hydrogenated amorphous silicon material. A pattern is recorded in a selected layer of amorphous silicon or hydrogenated amorphous silicon materials by preferentially implanting hydrogen ions therein so as to permit the selected layer to serve as a mask-resist wafer suitable for subsequent development and device fabrication. The layer is developed to provide a surface pattern therein adaptable for subsequent use in microelectronic fabrication and semiconductor device processing.

  5. Hydrogen Industrial Trucks

    Office of Energy Efficiency and Renewable Energy (EERE)

    Slides from the U.S. Department of Energy Hydrogen Component and System Qualification Workshop held November 4, 2010 in Livermore, CA.

  6. Hawaii Hydrogen Energy Park

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  7. HYDROGEN TO THE HIGHWAYS

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  8. President's Hydrogen Fuel Initiative

    Broader source: Energy.gov [DOE]

    Hydrogen Infrastructure and Fuel Cell Technologies put on an Accelerated Schedule. President Bush commits a total $1.7 billion over first 5 years

  9. Hydrogen Equipment Certification Guide

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

    ... committees of ASME, SAE and ISO * Hydrogen has been used ... "approval" by the code official is required before ... or as meeting a standard. Listed - Equipment, ...

  10. Hydrogen ion microlithography

    DOE Patents [OSTI]

    Tsuo, Y.S.; Deb, S.K.

    1990-10-02

    Disclosed is a hydrogen ion microlithography process for use in microelectronic fabrication and semiconductor device processing. The process comprises the steps of providing a single layer of either an amorphous silicon or hydrogenated amorphous silicon material. A pattern is recorded in a selected layer of amorphous silicon or hydrogenated amorphous silicon materials by preferentially implanting hydrogen ions therein so as to permit the selected layer to serve as a mask-resist wafer suitable for subsequent development and device fabrication. The layer is developed to provide a surface pattern therein adaptable for subsequent use in microelectronic fabrication and semiconductor device processing. 6 figs.

  11. Hydrogen Fuel Cells

    Fuel Cell Technologies Publication and Product Library (EERE)

    The fuel cell — an energy conversion device that can efficiently capture and use the power of hydrogen — is the key to making it happen.

  12. Electrochemical Hydrogen Compression (EHC)

    Broader source: Energy.gov [DOE]

    This presentation by Pinakin Patel and Ludwig Lipp of Fuel Cell Energy was given at the DOE Hydrogen Compression, Storage, and Dispensing Workshop on March 20, 2013.

  13. Hydrogen Safety Sensors

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  14. Hydrogen Education in Texas

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  15. Hydrogen Delivery and Fueling

    SciTech Connect (OSTI)

    2015-09-09

    This MP3 provides an overview of how hydrogen is delivered from the point of production to where it is used.

  16. California Hydrogen Infrastructure Project | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen Infrastructure Project Jump to: navigation, search Name: California Hydrogen Infrastructure Project Place: California Sector: Hydro, Hydrogen Product: String...

  17. Massachusetts Hydrogen Coalition | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen Coalition Jump to: navigation, search Logo: Massachusetts Hydrogen Coalition Name: Massachusetts Hydrogen Coalition Address: 100 Cummings Center Place: Beverly,...

  18. Compact hydrogen/helium isotope mass spectrometer

    DOE Patents [OSTI]

    Funsten, Herbert O.; McComas, David J.; Scime, Earl E.

    1996-01-01

    The compact hydrogen and helium isotope mass spectrometer of the present invention combines low mass-resolution ion mass spectrometry and beam-foil interaction technology to unambiguously detect and quantify deuterium (D), tritium (T), hydrogen molecule (H.sub.2, HD, D.sub.2, HT, DT, and T.sub.2), .sup.3 He, and .sup.4 He concentrations and concentration variations. The spectrometer provides real-time, high sensitivity, and high accuracy measurements. Currently, no fieldable D or molecular speciation detectors exist. Furthermore, the present spectrometer has a significant advantage over traditional T detectors: no confusion of the measurements by other beta-emitters, and complete separation of atomic and molecular species of equivalent atomic mass (e.g., HD and .sup.3 He).

  19. Final Report: Investigation of Catalytic Pathways for Lignin Breakdown into Monomers and Fuels

    SciTech Connect (OSTI)

    Gluckstein, Jeffrey A; Hu, Michael Z.; Kidder, Michelle; McFarlane, Joanna; Narula, Chaitanya Kumar; Sturgeon, Matthew R

    2010-12-01

    Lignin is a biopolymer that comprises up to 35% of woody biomass by dry weight. It is currently underutilized compared to cellulose and hemicellulose, the other two primary components of woody biomass. Lignin has an irregular structure of methoxylated aromatic groups linked by a suite of ether and alkyl bonds which makes it difficult to degrade selectively. However, the aromatic components of lignin also make it promising as a base material for the production of aromatic fuel additives and cyclic chemical feed stocks such as styrene, benzene, and cyclohexanol. Our laboratory research focused on three methods to selectively cleave and deoxygenate purified lignin under mild conditions: acidolysis, hydrogenation and electrocatalysis. (1) Acidolysis was undertaken in CH2Cl2 at room temperature. (2) Hydrogenation was carried out by dissolving lignin and a rhodium catalyst in 1:1 water:methoxyethanol under a 1 atm H2 environment. (3) Electrocatalysis of lignin involved reacting electrically generated hydrogen atoms at a catalytic palladium cathode with lignin dissolved in a solution of aqueous methanol. In all of the experiments, the lignin degradation products were identified and quantified by gas chromatography mass spectroscopy and flame ionization detection. Yields were low, but this may have reflected the difficulty in recovering the various fractions after conversion. The homogeneous hydrogenation of lignin showed fragmentation into monomers, while the electrocatalytic hydrogenation showed production of polyaromatic hydrocarbons and substituted benzenes. In addition to the experiments, promising pathways for the conversion of lignin were assessed. Three conversion methods were compared based on their material and energy inputs and proposed improvements using better catalyst and process technology. A variety of areas were noted as needing further experimental and theoretical effort to increase the feasibility of lignin conversion to fuels.

  20. LANL Virtual Center for Chemical Hydrogen Storage: Chemical Hydrogen Storage Using Ultra-high Surface Area Main Group Materials

    SciTech Connect (OSTI)

    Susan M. Kauzlarich; Phillip P. Power; Doinita Neiner; Alex Pickering; Eric Rivard; Bobby Ellis, T. M.; Atkins, A. Merrill; R. Wolf; Julia Wang

    2010-09-05

    The focus of the project was to design and synthesize light element compounds and nanomaterials that will reversibly store molecular hydrogen for hydrogen storage materials. The primary targets investigated during the last year were amine and hydrogen terminated silicon (Si) nanoparticles, Si alloyed with lighter elements (carbon (C) and boron (B)) and boron nanoparticles. The large surface area of nanoparticles should facilitate a favorable weight to volume ratio, while the low molecular weight elements such as B, nitrogen (N), and Si exist in a variety of inexpensive and readily available precursors. Furthermore, small NPs of Si are nontoxic and non-corrosive. Insights gained from these studies will be applied toward the design and synthesis of hydrogen storage materials that meet the DOE 2010 hydrogen storage targets: cost, hydrogen capacity and reversibility. Two primary routes were explored for the production of nanoparticles smaller than 10 nm in diameter. The first was the reduction of the elemental halides to achieve nanomaterials with chloride surface termination that could subsequently be replaced with amine or hydrogen. The second was the reaction of alkali metal Si or Si alloys with ammonium halides to produce hydrogen capped nanomaterials. These materials were characterized via X-ray powder diffraction, TEM, FTIR, TG/DSC, and NMR spectroscopy.

  1. Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles

    SciTech Connect (OSTI)

    Wang, Yanggang; Mei, Donghai; Glezakou, Vassiliki Alexandra; Li, Jun; Rousseau, Roger J.

    2015-03-04

    Ab initio Molecular Dynamics simulations and static Density Functional Theory calculations have been performed to investigate the reaction mechanism of CO oxidation on Au/CeO2 catalyst. It is found that under reaction condition CO adsorption significantly labializes the surface atoms of the Au cluster and leads to the formation of isolated Au+-CO species that resides on the support in the vicinity of the Au particle. In this context, we identified a dynamic single-atom catalytic mechanism at the interfacial area for CO oxidation on Au/CeO2 catalyst, which is a lower energy pathway than that of CO oxidation at the interface with the metal particle. This results from the ability of the single atom site to strongly couple with the redox properties of the support in a synergistic manner thereby lowering the barrier for redox reactions. We find that the single Au+ ion, which only exists under reaction conditions, breaks away from the Au cluster to catalyze CO oxidation and returns to the Au cluster after the catalytic cycle is completed. Generally, our study highlights the importance of the dynamic creation of active sites under reaction conditions and their essential role in a catalytic process.

  2. Enhancing hydrogen spillover and storage

    DOE Patents [OSTI]

    Yang, Ralph T.; Li, Yingwel; Lachawiec, Jr., Anthony J.

    2011-05-31

    Methods for enhancing hydrogen spillover and storage are disclosed. One embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the hydrogen receptor to ultrasonification as doping occurs. Another embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the doped hydrogen receptor to a plasma treatment.

  3. Enhancing hydrogen spillover and storage

    DOE Patents [OSTI]

    Yang, Ralph T; Li, Yingwei; Lachawiec, Jr., Anthony J

    2013-02-12

    Methods for enhancing hydrogen spillover and storage are disclosed. One embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the hydrogen receptor to ultrasonication as doping occurs. Another embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the doped hydrogen receptor to a plasma treatment.

  4. Combination moisture and hydrogen getter

    DOE Patents [OSTI]

    Not Available

    1982-04-29

    A combination moisture and hydrogen getter comprises (a) a moisture getter comprising a readily oxidizable metal; and (b) a hydrogen getter comprising (i) a solid acetylenic compound and (ii) a hydrogenation catalyst. A method of scavenging moisture from a closed container uses the combination moisture and hydrogen getter to irreversibly chemically reduce the moisture and chemically bind the reusltant hydrogen.

  5. Combination moisture and hydrogen getter

    DOE Patents [OSTI]

    Harrah, Larry A.; Mead, Keith E.; Smith, Henry M.

    1983-01-01

    A combination moisture and hydrogen getter comprises (a) a moisture getter comprising a readily oxidizable metal; and (b) a hydrogen getter comprising (i) a solid acetylenic compound and (ii) a hydrogenation catalyst. A method of scavenging moisture from a closed container uses the combination moisture and hydrogen getter to irreversibly chemically reduce the moisture and chemically bind the resultant hydrogen.

  6. Combination moisture and hydrogen getter

    DOE Patents [OSTI]

    Harrah, L.A.; Mead, K.E.; Smith, H.M.

    1983-09-20

    A combination moisture and hydrogen getter comprises (a) a moisture getter comprising a readily oxidizable metal; and (b) a hydrogen getter comprising (1) a solid acetylenic compound and (2) a hydrogenation catalyst. A method of scavenging moisture from a closed container uses the combination moisture and hydrogen getter to irreversibly chemically reduce the moisture and chemically bind the resultant hydrogen.

  7. Green Hydrogen Company | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen Company Jump to: navigation, search Logo: Green Hydrogen Company Name: Green Hydrogen Company Abbreviation: GH2 Address: Green Hydrogen Company, Head Office, 9...

  8. Safe Hydrogen LLC | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen LLC Jump to: navigation, search Name: Safe Hydrogen LLC Place: Lexington, Massachusetts Sector: Hydro, Hydrogen Product: Focused on hydrogen storage, through a 'slurry' of...

  9. Hydrogen Car Co | Open Energy Information

    Open Energy Info (EERE)

    Car Co Jump to: navigation, search Name: Hydrogen Car Co Place: Los Angeles, California Zip: 90036 Sector: Hydro, Hydrogen Product: The Hydrogen Car Company produces hydrogen...

  10. The Hydrogen Company | Open Energy Information

    Open Energy Info (EERE)

    Company Jump to: navigation, search Name: The Hydrogen Company Abbreviation: HydroGen Address: The Hydrogen Company, HydroGen Engineering and Consulting, Head Office, 9...

  11. Process for exchanging hydrogen isotopes between gaseous hydrogen and water

    DOE Patents [OSTI]

    Hindin, Saul G.; Roberts, George W.

    1980-08-12

    A process for exchanging isotopes of hydrogen, particularly tritium, between gaseous hydrogen and water is provided whereby gaseous hydrogen depeleted in tritium and liquid or gaseous water containing tritium are reacted in the presence of a metallic catalyst.

  12. Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines

    Broader source: Energy.gov [DOE]

    Project Objectives: To gain basic understanding of hydrogen permeation behavior and its impact on hydrogen embrittlement of pipeline steels under high gaseous pressures relevant to hydrogen gas transmission pipeline

  13. Selectivity and resistance to poisons of commercial hydrogen sensors

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

    Palmisano, V.; Weidner, E.; Boon-Brett, L.; Bonato, C.; Harskamp, F.; Moretto, P.; Post, Matthew B.; Burgess, Robert; Rivkin, Carl; Buttner, William J.

    2015-03-20

    The resistance of several models of catalytic, workfunction-based metal-oxide-semiconductor and electrochemical hydrogen sensors to chemical contaminants such as SO2, H2S, NO2 and hexamethyldisiloxane (HMDS) has been investigated. These sensor platforms are among the most commonly used for the detection of hydrogen. The evaluation protocols were based on the methods recommended in the ISO 26142:2010 standard. Permanent alteration of the sensor response to the target analyte (H2) following exposure to potential poisons at the concentrations specified in ISO 26142 was rarely observed. Although a shift in the baseline response was often observed during exposure to the potential poisons, only in amore » few cases did this shift persist after removal of the contaminants. Overall, the resistance of the sensors to poisoning was good. However, a change in sensitivity to hydrogen was observed in the electrochemical platform after exposure to NO2 and for a catalytic sensor during exposure to SO2. The siloxane resistance test prescribed in ISO 26142, based on exposure to 10 ppm HMDS, may possibly not properly reflect sensor robustness to siloxanes. In conclusion, further evaluation of the resistance of sensors to other Si-based contaminants and other exposure profiles (e.g., concentration, exposure times) is needed.« less

  14. Mesoporous silica nanoparticles for biomedical and catalytical applications

    SciTech Connect (OSTI)

    Sun, Xiaoxing

    2011-05-15

    Mesoporous silica materials, discovered in 1992 by the Mobile Oil Corporation, have received considerable attention in the chemical industry due to their superior textual properties such as high surface area, large pore volume, tunable pore diameter, and narrow pore size distribution. Among those materials, MCM-41, referred to Mobile Composition of Matter NO. 41, contains honeycomb liked porous structure that is the most common mesoporous molecular sieve studied. Applications of MCM-41 type mesoporous silica material in biomedical field as well as catalytical field have been developed and discussed in this thesis. The unique features of mesoporous silica nanoparticles were utilized for the design of delivery system for multiple biomolecules as described in chapter 2. We loaded luciferin into the hexagonal channels of MSN and capped the pore ends with gold nanoparticles to prevent premature release. Luciferase was adsorbed onto the outer surface of the MSN. Both the MSN and the gold nanoparticles were protected by poly-ethylene glycol to minimize nonspecific interaction of luciferase and keep it from denaturating. Controlled release of luciferin was triggered within the cells and the enzymatic reaction was detected by a luminometer. Further developments by varying enzyme/substrate pairs may provide opportunities to control cell behavior and manipulate intracellular reactions. MSN was also served as a noble metal catalyst support due to its large surface area and its stability with active metals. We prepared MSN with pore diameter of 10 nm (LP10-MSN) which can facilitate mass transfer. And we successfully synthesized an organo silane, 2,2'-Bipyridine-amide-triethoxylsilane (Bpy-amide-TES). Then we were able to functionalize LP10-MSN with bipyridinyl group by both post-grafting method and co-condensation method. Future research of this material would be platinum complexation. This Pt (II) complex catalyst has been reported for a C-H bond activation reaction as an alternative of the traditional Friedel-Crafts reaction. And we will compare the turnover numbers of MSN supported material with homogenous catalyst to evaluate the catalytical efficiency of our material.

  15. Incorporation of catalytic dehydrogenation into Fischer-Tropsch synthesis to lower carbon dioxide emissions

    DOE Patents [OSTI]

    Huffman, Gerald P

    2012-09-18

    A method for producing liquid fuels includes the steps of gasifying a starting material selected from a group consisting of coal, biomass, carbon nanotubes and mixtures thereof to produce a syngas, subjecting that syngas to Fischer-Tropsch synthesis (FTS) to produce a hyrdrocarbon product stream, separating that hydrocarbon product stream into C1-C4 hydrocarbons and C5+ hydrocarbons to be used as liquid fuels and subjecting the C1-C4 hydrocarbons to catalytic dehydrogenation (CDH) to produce hydrogen and carbon nanotubes. The hydrogen produced by CDH is recycled to be mixed with the syngas incident to the FTS reactor in order to raise the hydrogen to carbon monoxide ratio of the syngas to values of 2 or higher, which is required to produce liquid hydrocarbon fuels. This is accomplished with little or no production of carbon dioxide, a greenhouse gas. The carbon is captured in the form of a potentially valuable by-product, multi-walled carbon nanotubes (MWNT), while huge emissions of carbon dioxide are avoided and very large quantities of water employed for the water-gas shift in traditional FTS systems are saved.

  16. System and method for selective catalytic reduction of nitrogen oxides in combustion exhaust gases

    DOE Patents [OSTI]

    Sobolevskiy, Anatoly; Rossin, Joseph A

    2014-04-08

    A multi-stage selective catalytic reduction (SCR) unit (32) provides efficient reduction of NOx and other pollutants from about 50-550.degree. C. in a power plant (19). Hydrogen (24) and ammonia (29) are variably supplied to the SCR unit depending on temperature. An upstream portion (34) of the SCR unit catalyzes NOx+NH.sub.3 reactions above about 200.degree. C. A downstream portion (36) catalyzes NOx+H.sub.2 reactions below about 260.degree. C., and catalyzes oxidation of NH.sub.3, CO, and VOCs with oxygen in the exhaust above about 200.degree. C., efficiently removing NOx and other pollutants over a range of conditions with low slippage of NH.sub.3. An ammonia synthesis unit (28) may be connected to the SCR unit to provide NH.sub.3 as needed, avoiding transport and storage of ammonia or urea at the site. A carbonaceous gasification plant (18) on site may supply hydrogen and nitrogen to the ammonia synthesis unit, and hydrogen to the SCR unit.

  17. Dissociation and dissociative phase transition in dense hydrogen

    SciTech Connect (OSTI)

    Khomkin, A. L. Shumikhin, A. S.

    2012-01-15

    A simple physical model is proposed for dissociating dense fluid hydrogen. We propose that free dissociated atoms interact via quantum electron-electron exchange analogously to the interaction in the liquid-metal phase of alkali metals. The density dependence of a hydrogen atom's binding energy in such a quasi-liquid is calculated. It is shown that the transition from the molecular fluid to liquid hydrogen is a first-order phase transition. The critical parameters of the transition are determined: P{sub c} = 72 GPa, T{sub c} = 10500 K, and {rho}{sub c} = 0.5 g/cm{sup 3}. The possibility of the metastable existence of atomic liquid hydrogen in a dissociated molecular fluid under decreased pressure is established.

  18. Crystal structure and catalytic properties of three inorganicorganic hybrid constructed from heteropolymolybdate and aminopyridine

    SciTech Connect (OSTI)

    Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun

    2013-04-15

    Three new organicinorganic hybrid compounds (2-C{sub 5}H{sub 7}N{sub 2}){sub 3}(SiMo{sub 12}O{sub 40})(C{sub 4}H{sub 8}N{sub 4}){sub 0.5}(C{sub 5}H{sub 6}N{sub 2}){sub 2}(H{sub 2}O){sub 2} (1), (3-C{sub 5}H{sub 7}N{sub 2}){sub 8}(SiMo{sub 12}O{sub 40}){sub 2}(C{sub 5}H{sub 7}N{sub 3}){sub 2}(H{sub 8}O{sub 4})(H{sub 2}O){sub 8} (2) and (4-C{sub 5}H{sub 7}N{sub 2}){sub 6}(SiMo{sub 12}O{sub 40}) (3) composed the heteropolymolybdate ?-H{sub 4}SiMo{sub 12}O{sub 40} and the organic substrate 2/3/4-aminopyridine have been hydrothermally synthesized and characterized by routine methods. Compounds 1 and 2 exhibit a three-dimensional supramolecular network via hydrogen bond and ?? stacking interactions. Compound 2 contains a tetramolecular water cluster which consists of four water molecules connected by hydrogen bonds. These compounds exhibit good thermal stability and photoluminescent phenomena. Compounds 1 and 3 are active for catalytic oxidation of methanol in a continuous-flow fixed-bed micro-reactor, when the initial concentration of methanol is 2.75 g m{sup ?3} in air and flow rate is 10 mL min{sup ?1} at 150 C, corresponding to the elimination rate of methanol i.e. 87.7% and 76.8%, respectively. - Three new Keggin type inorganicorganic hybrid frameworks were synthesized. Compounds exhibit an extended three-dimensional supramolecular network. Compounds 1 and 3 have better catalytic activity for eliminating methanol. Highlights: ? Three 3-D Keggin inorganicorganic hybrid frameworks were synthesized. ? The ?? stacking interactions are existed in Compounds 1 and 2. ? Compound 2 contains a tetramolecular water cluster connected by hydrogen bond. ? Compounds 1 and 3 are active in the catalytic oxidation of methanol into CO{sub 2} and H{sub 2}O.

  19. Membrane for hydrogen recovery from streams containing hydrogen sulfide

    DOE Patents [OSTI]

    Agarwal, Pradeep K.

    2007-01-16

    A membrane for hydrogen recovery from streams containing hydrogen sulfide is provided. The membrane comprises a substrate, a hydrogen permeable first membrane layer deposited on the substrate, and a second membrane layer deposited on the first layer. The second layer contains sulfides of transition metals and positioned on the on a feed side of the hydrogen sulfide stream. The present invention also includes a method for the direct decomposition of hydrogen sulfide to hydrogen and sulfur.

  20. The Hydrogen Laboratory and The Brazilian Reference Center for Hydrogen

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

    Energy | Department of Energy The Hydrogen Laboratory and The Brazilian Reference Center for Hydrogen Energy The Hydrogen Laboratory and The Brazilian Reference Center for Hydrogen Energy Presentation given by Newton Pimenta and Cristiano Pinto of the State University of Campinas at the CNG and Hydrogen Lessons Learned Workshop on December 10, 2009 PDF icon cng_h2_workshop_12_ohi.pdf More Documents & Publications Overview of DOE - DOT December 2009 CNG and Hydrogen Fuels Workshop

  1. Molecular Foundry

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

    Mike Brady ed_barnard Joint Molecular Foundry/ALS Project Scientist mabrady@lbl.gov 510.486.6548

  2. Molecular Science

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

    Molecular Science NETL's Molecular Science competency provides technology-enabling computational and experimental insight into the atomic-level processes occurring in condensed matter and gas phase systems or at the heterogeneous surface-gas interfaces used for energy applications. Research includes molecular optimization as well as both classical and high-throughput material design, specifically: Molecular Optimization Development and application of new computational approaches in the general

  3. Thick film hydrogen sensor

    DOE Patents [OSTI]

    Hoffheins, B.S.; Lauf, R.J.

    1995-09-19

    A thick film hydrogen sensor element includes an essentially inert, electrically-insulating substrate having deposited thereon a thick film metallization forming at least two resistors. The metallization is a sintered composition of Pd and a sinterable binder such as glass frit. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors. 8 figs.

  4. Thick film hydrogen sensor

    DOE Patents [OSTI]

    Hoffheins, Barbara S. (Knoxville, TN); Lauf, Robert J. (Oak Ridge, TN)

    1995-01-01

    A thick film hydrogen sensor element includes an essentially inert, electrically-insulating substrate having deposited thereon a thick film metallization forming at least two resistors. The metallization is a sintered composition of Pd and a sinterable binder such as glass frit. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors.

  5. Physical Hydrogen Storage

    Broader source: Energy.gov [DOE]

    Physical storage is the most mature hydrogen storage technology. The current near-term technology for onboard automotive physical hydrogen storage is 350 and 700 bar (5,000 and 10,000 psi) nominal working-pressure compressed gas vessels—that is, "tanks."

  6. Hydrogen evolution reaction catalyst

    DOE Patents [OSTI]

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  7. Molecular Foundry

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

    Urban Jeff Urban Facility Director, Inorganic Nanostructures Lead of LBL DOE Thermoelectrics Program MSD Lead on Water-Energy Initiative Lead of LBL HyMARC Hydrogen Storage Program jjurban@lbl.gov 510.486.4526 Curriculum vitae personal website Dr. Urban is currently looking for strong postdoctoral candidates with inorganic/organic synthesis and device experience. He is also seeking candidates with specific experience in fuel cells, hydrogen storage, thermal materials, thermoelectrics, membranes

  8. Amorphous Alloy Membranes for High Temperature Hydrogen Separation

    SciTech Connect (OSTI)

    Coulter, K

    2013-09-30

    At the beginning of this project, thin film amorphous alloy membranes were considered a nascent but promising new technology for industrial-scale hydrogen gas separations from coal- derived syngas. This project used a combination of theoretical modeling, advanced physical vapor deposition fabricating, and laboratory and gasifier testing to develop amorphous alloy membranes that had the potential to meet Department of Energy (DOE) targets in the testing strategies outlined in the NETL Membrane Test Protocol. The project is complete with Southwest Research Institute® (SwRI®), Georgia Institute of Technology (GT), and Western Research Institute (WRI) having all operated independently and concurrently. GT studied the hydrogen transport properties of several amorphous alloys and found that ZrCu and ZrCuTi were the most promising candidates. GT also evaluated the hydrogen transport properties of V, Nb and Ta membranes coated with different transition-metal carbides (TMCs) (TM = Ti, Hf, Zr) catalytic layers by employing first-principles calculations together with statistical mechanics methods and determined that TiC was the most promising material to provide catalytic hydrogen dissociation. SwRI developed magnetron coating techniques to deposit a range of amorphous alloys onto both porous discs and tubular substrates. Unfortunately none of the amorphous alloys could be deposited without pinhole defects that undermined the selectivity of the membranes. WRI tested the thermal properties of the ZrCu and ZrNi alloys and found that under reducing environments the upper temperature limit of operation without recrystallization is ~250 °C. There were four publications generated from this project with two additional manuscripts in progress and six presentations were made at national and international technical conferences. The combination of the pinhole defects and the lack of high temperature stability make the theoretically identified most promising candidate amorphous alloys unsuitable for application as hydrogen separation membranes in coal fire systems.

  9. Why Hydrogen? Hydrogen from Diverse Domestic Resources | Department...

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

    Overview of FreedomCAR & Fuels PartnershipDOE Delivery Program President's Hydrogen Fuel Initiative Hydrogen Posture Plan: An Integrated Research, Development and...

  10. Hydrogen Pipeline Working Group Workshop: Code for Hydrogen Pipelines

    Broader source: Energy.gov [DOE]

    Code for Hydrogen Piping and Pipelines. B31 Hydrogen Section Committee to develop a new code for H2 piping and pipelines.

  11. Hydrogen Supply: Cost Estimate for Hydrogen Pathways-Scoping...

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

    PDF icon 32525.pdf More Documents & Publications Analysis of a Cluster Strategy for Near Term Hydrogen Infrastructure Rollout in Southern California Hydrogen Delivery ...

  12. Hydrogen Resource Assessment: Hydrogen Potential from Coal, Natural...

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

    60-42773 February 2009 Hydrogen Resource Assessment Hydrogen Potential from Coal, Natural Gas, Nuclear, and Hydro Power Anelia Milbrandt and Margaret Mann National Renewable Energy...

  13. Hydrogen Fuel Quality

    SciTech Connect (OSTI)

    Rockward, Tommy

    2012-07-16

    For the past 6 years, open discussions and/or meetings have been held and are still on-going with OEM, Hydrogen Suppliers, other test facilities from the North America Team and International collaborators regarding experimental results, fuel clean-up cost, modeling, and analytical techniques to help determine levels of constituents for the development of an international standard for hydrogen fuel quality (ISO TC197 WG-12). Significant progress has been made. The process for the fuel standard is entering final stages as a result of the technical accomplishments. The objectives are to: (1) Determine the allowable levels of hydrogen fuel contaminants in support of the development of science-based international standards for hydrogen fuel quality (ISO TC197 WG-12); and (2) Validate the ASTM test method for determining low levels of non-hydrogen constituents.

  14. Nanomaterials for Hydrogen Storage Applications: A Review

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

    Niemann, Michael U.; Srinivasan, Sesha S.; Phani, Ayala R.; Kumar, Ashok; Goswami, D. Yogi; Stefanakos, Elias K.

    2008-01-01

    Nmore » anomaterials have attracted great interest in recent years because of the unusual mechanical, electrical, electronic, optical, magnetic and surface properties. The high surface/volume ratio of these materials has significant implications with respect to energy storage. Both the high surface area and the opportunity for nanomaterial consolidation are key attributes of this new class of materials for hydrogen storage devices.anostructured systems including carbon nanotubes, nano-magnesium based hydrides, complex hydride/carbon nanocomposites, boron nitride nanotubes, TiS 2 / MoS 2 nanotubes, alanates, polymer nanocomposites, and metal organic frameworks are considered to be potential candidates for storing large quantities of hydrogen. Recent investigations have shown that nanoscale materials may offer advantages if certain physical and chemical effects related to the nanoscale can be used efficiently. The present review focuses the application of nanostructured materials for storing atomic or molecular hydrogen. The synergistic effects of nanocrystalinity and nanocatalyst doping on the metal or complex hydrides for improving the thermodynamics and hydrogen reaction kinetics are discussed. In addition, various carbonaceous nanomaterials and novel sorbent systems (e.g. carbon nanotubes, fullerenes, nanofibers, polyaniline nanospheres and metal organic frameworks etc.) and their hydrogen storage characteristics are outlined.« less

  15. Biofuel from fast pyrolysis and catalytic hydrodeoxygenation.

    SciTech Connect (OSTI)

    Elliott, Douglas C.

    2015-09-04

    This review addresses recent developments in biomass fast pyrolysis bio-oil upgrading by catalytic hydrotreating. The research in the field has expanded dramatically in the past few years with numerous new research groups entering the field while existing efforts from others expand. The issues revolve around the catalyst formulation and operating conditions. Much work in batch reactor tests with precious metal catalysts needs further validation to verify long-term operability in continuous flow systems. The effect of the low level of sulfur in bio-oil needs more study to be better understood. Utilization of the upgraded bio-oil for feedstock to finished fuels is still in an early stage of understanding.

  16. Contact structure for use in catalytic distillation

    DOE Patents [OSTI]

    Jones, E.M. Jr.

    1984-03-27

    A method is described for conducting catalytic chemical reactions and fractionation of the reaction mixture comprising feeding reactants into a distillation column reactor, contracting said reactant in liquid phase with a fixed bed catalyst in the form of a contact catalyst structure consisting of closed porous containers containing the catalyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column. 7 figs.

  17. Contact structure for use in catalytic distillation

    DOE Patents [OSTI]

    Jones, Jr., Edward M.

    1984-01-01

    A method for conducting catalytic chemical reactions and fractionation of the reaction mixture comprising feeding reactants into a distillation column reactor contracting said reactant in liquid phase with a fixed bed catalyst in the form of a contact catalyst structure consisting of closed porous containers containing the catatlyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column.

  18. Contact structure for use in catalytic distillation

    DOE Patents [OSTI]

    Jones, Jr., Edward M.

    1985-01-01

    A method and apparatus for conducting catalytic chemical reactions and fractionation of the reaction mixture, comprising and feeding reactants into a distillation column reactor contracting said reactant in a liquid phase with a fixed bed catalyst in the form of a contact catalyst structure, consisting of closed porous containers containing the catalyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column.

  19. Contact structure for use in catalytic distillation

    DOE Patents [OSTI]

    Jones, E.M. Jr.

    1985-08-20

    A method and apparatus are disclosed for conducting catalytic chemical reactions and fractionation of the reaction mixture, comprising and feeding reactants into a distillation column reactor contracting said reactant in a liquid phase with a fixed bed catalyst in the form of a contact catalyst structure, consisting of closed porous containers containing the catalyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column. 7 figs.

  20. Renewable Resources for Hydrogen (Presentation)

    SciTech Connect (OSTI)

    Jalalzadeh-Azar, A. A.

    2010-05-03

    This presentation provides an overview of renewable resources for hydrogen. It was presented at the National Hydrogen Association Hydrogen Conference & Expo in Long Beach, CA, May 3-6, 2010.

  1. Significant Quantum Effects in Hydrogen Activation

    SciTech Connect (OSTI)

    Kyriakou, Georgios; Davidson, Erlend R.; Peng, Guowen; Roling, Luke T.; Singh, Suyash; Boucher, Matthew B.; Marcinkowski, Matthew D.; Mavrikakis, Manos; Michaelides, Angelos; Sykes, E. Charles H.

    2014-05-27

    Dissociation of molecular hydrogen is an important step in a wide variety of chemical, biological, and physical processes. Due to the light mass of hydrogen, it is recognized that quantum effects are often important to its reactivity. However, understanding how quantum effects impact the reactivity of hydrogen is still in its infancy. Here, we examine this issue using a well-defined Pd/Cu(111) alloy that allows the activation of hydrogen and deuterium molecules to be examined at individual Pd atom surface sites over a wide range of temperatures. Experiments comparing the uptake of hydrogen and deuterium as a function of temperature reveal completely different behavior of the two species. The rate of hydrogen activation increases at lower sample temperature, whereas deuterium activation slows as the temperature is lowered. Density functional theory simulations in which quantum nuclear effects are accounted for reveal that tunneling through the dissociation barrier is prevalent for H2 up to 190 K and for D2 up to 140 K. Kinetic Monte Carlo simulations indicate that the effective barrier to H2 dissociation is so low that hydrogen uptake on the surface is limited merely by thermodynamics, whereas the D2 dissociation process is controlled by kinetics. These data illustrate the complexity and inherent quantum nature of this ubiquitous and seemingly simple chemical process. Examining these effects in other systems with a similar range of approaches may uncover temperature regimes where quantum effects can be harnessed, yielding greater control of bond-breaking processes at surfaces and uncovering useful chemistries such as selective bond activation or isotope separation.

  2. Simulation of catalytic oxidation and selective catalytic NOx reduction in lean-exhaust hybrid vehicles

    SciTech Connect (OSTI)

    Gao, Zhiming; Daw, C Stuart; Chakravarthy, Veerathu K

    2012-01-01

    We utilize physically-based models for diesel exhaust catalytic oxidation and urea-based selective catalytic NOx reduction to study their impact on drive cycle performance of hypothetical light-duty diesel powered hybrid vehicles. The models have been implemented as highly flexible SIMULINK block modules that can be used to study multiple engine-aftertreatment system configurations. The parameters of the NOx reduction model have been adjusted to reflect the characteristics of Cu-zeolite catalysts, which are of widespread current interest. We demonstrate application of these models using the Powertrain System Analysis Toolkit (PSAT) software for vehicle simulations, along with a previously published methodology that accounts for emissions and temperature transients in the engine exhaust. Our results illustrate the potential impact of DOC and SCR interactions for lean hybrid electric and plug-in hybrid electric vehicles.

  3. Hydrogen desorption from hydrogen fluoride and remote hydrogen plasma cleaned silicon carbide (0001) surfaces

    SciTech Connect (OSTI)

    King, Sean W. Tanaka, Satoru; Davis, Robert F.; Nemanich, Robert J.

    2015-09-15

    Due to the extreme chemical inertness of silicon carbide (SiC), in-situ thermal desorption is commonly utilized as a means to remove surface contamination prior to initiating critical semiconductor processing steps such as epitaxy, gate dielectric formation, and contact metallization. In-situ thermal desorption and silicon sublimation has also recently become a popular method for epitaxial growth of mono and few layer graphene. Accordingly, numerous thermal desorption experiments of various processed silicon carbide surfaces have been performed, but have ignored the presence of hydrogen, which is ubiquitous throughout semiconductor processing. In this regard, the authors have performed a combined temperature programmed desorption (TPD) and x-ray photoelectron spectroscopy (XPS) investigation of the desorption of molecular hydrogen (H{sub 2}) and various other oxygen, carbon, and fluorine related species from ex-situ aqueous hydrogen fluoride (HF) and in-situ remote hydrogen plasma cleaned 6H-SiC (0001) surfaces. Using XPS, the authors observed that temperatures on the order of 7001000?C are needed to fully desorb C-H, C-O and Si-O species from these surfaces. However, using TPD, the authors observed H{sub 2} desorption at both lower temperatures (200550?C) as well as higher temperatures (>700?C). The low temperature H{sub 2} desorption was deconvoluted into multiple desorption states that, based on similarities to H{sub 2} desorption from Si (111), were attributed to silicon mono, di, and trihydride surface species as well as hydrogen trapped by subsurface defects, steps, or dopants. The higher temperature H{sub 2} desorption was similarly attributed to H{sub 2} evolved from surface O-H groups at ?750?C as well as the liberation of H{sub 2} during Si-O desorption at temperatures >800?C. These results indicate that while ex-situ aqueous HF processed 6H-SiC (0001) surfaces annealed at <700?C remain terminated by some surface CO and SiO bonding, they may still exhibit significant chemical reactivity due to the creation of surface dangling bonds resulting from H{sub 2} desorption from previously undetected silicon hydride and surface hydroxide species.

  4. Hydrogen Resources | Department of Energy

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

    Resources Hydrogen Resources Hydrogen can be produced from diverse, domestic resources. Currently, most hydrogen is produced from fossil fuels, specifically natural gas. Electricity-from the grid or from renewable sources such as wind, solar, geothermal, or biomass-is also currently used to produce hydrogen. In the longer term, solar energy and biomass can be used more directly to generate hydrogen. Natural Gas and Other Fossil Fuels Fossil fuels can be reformed to release the hydrogen from

  5. Comparison of Water-Hydrogen Catalytic Exchange Processes vs. Water Distillation for Water Detritiation

    Office of Environmental Management (EM)

    Report 2009 Department of Energy Annual Employee Survey Results -vs- 2006 & 2008 All Federal Government Federal Human Capital Survey Results This is a summary-by-question of DOE's responses to the 2009 Annual Employee Survey compared to corresponding items on the 2006 and 2008 Federal Human Capital Surveys. This summary displays results by Positive, Neutral, Negative, and where applicable, Do Not Know or No Basis to Judge responses. As shown below, for each response scale two responses are

  6. Process for the production of hydrogen and carbonyl sulfide from hydrogen sulfide and carbon monoxide using a multi-metal oxide/sulfide catalyst

    SciTech Connect (OSTI)

    Jevnikar, M. G.; Kuch, Ph. L.

    1985-02-19

    Hydrogen and carbonyl sulfide are produced by a process comprising contacting gaseous hydrogen sulfide with gaseous carbon monoxide in the presence of a catalytic composition containing an oxide and/or sulfide of at least one of molybdenum, tungsten, iron, chromium and vanadium in combination with at least one promoter metal, e.g. a catalyst of the formula Cs Cu /SUB 0.2/ Zn /SUB 0.5/ Mn /SUB 0.5/ Sn /SUB 2.4/ Mo O /SUB x/ S /SUB y/ .

  7. Preconversion catalytic deoxygenation of phenolic functional groups. Quarterly technical progress report, January 1, 1992--March 31, 1992

    SciTech Connect (OSTI)

    Kubiak, C.P.

    1992-08-01

    The deoxygenation of phenols is a conceptually simple, but unusually difficult chemical transformation to achieve. The phenolic C-O bond energy of 103 kcal/mol is as strong as a benzene C-H bond and over a 10 kcal/mol stronger than the C-O bonds of methanol and ethanol. The consequence of this is that the hydrogenation/deoxygenation methods in current use require severe conditions and give low selectivities. The ongoing research described herein is based on the unprecedented, but thermodynamically promising, use of carbon monoxide as the oxygen atom acceptor for the catalytic deoxygenation of phenols.

  8. Hydrogen Data Book from the Hydrogen Analysis Resource Center

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

    The Hydrogen Data Book contains a wide range of factual information on hydrogen and fuel cells (e.g., hydrogen properties, hydrogen production and delivery data, and information on fuel cells and fuel cell vehicles), and it also provides other data that might be useful in analyses of hydrogen infrastructure in the United States (e.g., demographic data and data on energy supply and/or infrastructure). Its made available from the Hydrogen Analysis Resource Center along with a wealth of related information. The related information includes guidelines for DOE Hydrogen Program Analysis, various calculator tools, a hydrogen glossary, related websites, and analysis tools relevant to hydrogen and fuel cells. [From http://hydrogen.pnl.gov/cocoon/morf/hydrogen

  9. Hydrogen Data Book from the Hydrogen Analysis Resource Center

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

    The Hydrogen Data Book contains a wide range of factual information on hydrogen and fuel cells (e.g., hydrogen properties, hydrogen production and delivery data, and information on fuel cells and fuel cell vehicles), and it also provides other data that might be useful in analyses of hydrogen infrastructure in the United States (e.g., demographic data and data on energy supply and/or infrastructure). ItÆs made available from the Hydrogen Analysis Resource Center along with a wealth of related information. The related information includes guidelines for DOE Hydrogen Program Analysis, various calculator tools, a hydrogen glossary, related websites, and analysis tools relevant to hydrogen and fuel cells. [From http://hydrogen.pnl.gov/cocoon/morf/hydrogen

  10. Dehydrogenation of liquid fuel in microchannel catalytic reactor

    DOE Patents [OSTI]

    Toseland, Bernard Allen; Pez, Guido Peter; Puri, Pushpinder Singh

    2009-02-03

    The present invention is an improved process for the storage and delivery of hydrogen by the reversible hydrogenation/dehydrogenation of an organic compound wherein the organic compound is initially in its hydrogenated state. The improvement in the route to generating hydrogen is in the dehydrogenation step and recovery of the dehydrogenated organic compound resides in the following steps: introducing a hydrogenated organic compound to a microchannel reactor incorporating a dehydrogenation catalyst; effecting dehydrogenation of said hydrogenated organic compound under conditions whereby said hydrogenated organic compound is present as a liquid phase; generating a reaction product comprised of a liquid phase dehydrogenated organic compound and gaseous hydrogen; separating the liquid phase dehydrogenated organic compound from gaseous hydrogen; and, recovering the hydrogen and liquid phase dehydrogenated organic compound.

  11. Dehydrogenation of liquid fuel in microchannel catalytic reactor

    DOE Patents [OSTI]

    Toseland, Bernard Allen; Pez, Guido Peter; Puri, Pushpinder Singh

    2010-08-03

    The present invention is an improved process for the storage and delivery of hydrogen by the reversible hydrogenation/dehydrogenation of an organic compound wherein the organic compound is initially in its hydrogenated state. The improvement in the route to generating hydrogen is in the dehydrogenation step and recovery of the dehydrogenated organic compound resides in the following steps: introducing a hydrogenated organic compound to a microchannel reactor incorporating a dehydrogenation catalyst; effecting dehydrogenation of said hydrogenated organic compound under conditions whereby said hydrogenated organic compound is present as a liquid phase; generating a reaction product comprised of a liquid phase dehydrogenated organic compound and gaseous hydrogen; separating the liquid phase dehydrogenated organic compound from gaseous hydrogen; and, recovering the hydrogen and liquid phase dehydrogenated organic compound.

  12. Hydrogen Energy | Open Energy Information

    Open Energy Info (EERE)

    Energy Jump to: navigation, search Name: Hydrogen Energy Place: Surrey, England, United Kingdom Zip: KT13 0NY Sector: Carbon, Hydro, Hydrogen Product: Surrey-based BP subsidiary...

  13. Hydrogen Ventures | Open Energy Information

    Open Energy Info (EERE)

    Ventures Jump to: navigation, search Logo: Hydrogen Ventures Name: Hydrogen Ventures Address: 1219 N. Studabaker Road Place: Long Beach, California Zip: 90811 Region: Southern CA...

  14. Molecular Mechanism of Biological Proton Transport

    SciTech Connect (OSTI)

    Pomes, R.

    1998-09-01

    Proton transport across lipid membranes is a fundamental aspect of biological energy transduction (metabolism). This function is mediated by a Grotthuss mechanism involving proton hopping along hydrogen-bonded networks embedded in membrane-spanning proteins. Using molecular simulations, the authors have explored the structural, dynamic, and thermodynamic properties giving rise to long-range proton translocation in hydrogen-bonded networks involving water molecules, or water wires, which are emerging as ubiquitous H{sup +}-transport devices in biological systems.

  15. Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base

    SciTech Connect (OSTI)

    Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A.; Appel, Aaron M.; Shaw, Wendy J.

    2012-10-08

    Four derivatives of a hydrogen oxidation catalyst, [Ni(PCy2NBn-R2)]2+ (Cy=cyclohexyl, Bn=benzyl, R= OMe, COOMe, CO-Alanine-methyl ester or CO-Phenylalanine-methyl ester), have been prepared to investigate steric and electronic effects on catalysis. Each complex was characterized spectroscopically and electrochemically, and thermodynamic data were determined. Crystal structures are also reported for the -OMe and -COOMe derivatives. All four catalysts were found to be active for H2 oxidation. The methyl ester (R = COOMe) and amino acid ester containing complexes (R = CO-Alanine-methyl ester or CO-Phenylalanine-methyl ester) had slower rates (4 s-1) than that of the parent complex (10 s-1), in which R = H, consistent with the lower amine pKa’s and less favorable GH2’s found for these electron-withdrawing substituents. Dynamic processes for the amino acid ester containing complexes were also investigated and found not to hinder catalysis. The electron-donating methoxy ether derivative (R = OMe) was prepared to compare electronic effects and has a similar catalytic rate as the parent complex. In the course of these studies, it was found that water could act as a weak base for H2 oxidation, although catalytic turnover requires a significantly higher potential and utilizes a different sequence of catalytic steps than when using a base with a higher pKa. Importantly, these catalysts provide a foundation upon which larger peptides can be attached to [Ni(PCy2NBn2)2]2+ hydrogen oxidation catalysts in order to more fully investigate and implement the effects of the outer-coordination sphere. This work was funded by the DOE Office of Science Early Career Research Program through the Office of Basic Energy Sciences (SL and WJS), by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (JR), and by the US DOE Basic Energy Sciences, Chemical Sciences, Geoscience and Biosciences Division (AMA, AJ). Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  16. Solid state proton and electron mediating membrane and use in catalytic membrane reactors

    DOE Patents [OSTI]

    White, James H.; Schwartz, Michael; Sammells, Anthony F.

    2001-01-01

    Mixed electron- and proton-conducting metal oxide materials are provided. These materials are useful in fabrication of membranes for use in catalytic membrane reactions, particularly for promoting dehydrogenation of hydrocarbons, oligomerization of hydrocarbons and for the decomposition of hydrogen-containing gases. Membrane materials are perovskite compounds of the formula: AB.sub.1-x B'.sub.x O.sub.3-y where A=Ca, Sr, or Ba; B=Ce, Tb, Pr or Th; B'=Ti, V, Cr, Mn, Fe, Co, Ni or Cu; 0.2.ltoreq.x.ltoreq.0.5, and y is a number sufficient to neutralize the charge in the mixed metal oxide material.

  17. Advanced Solution Methods for Microkinetic Models of Catalytic Reactions: A Methanol Synthesis Case Study

    SciTech Connect (OSTI)

    Rubert-Nason, Patricia; Mavrikakis, Manos; Maravelias, Christos T.; Grabow, Lars C.; Biegler, Lorenz T.

    2014-04-01

    Microkinetic models, combined with experimentally measured reaction rates and orders, play a key role in elucidating detailed reaction mechanisms in heterogeneous catalysis and have typically been solved as systems of ordinary differential equations. In this work, we demonstrate a new approach to fitting those models to experimental data. For the specific example treated here, by reformulating a typical microkinetic model for a continuous stirred tank reactor to a system of nonlinear equations, we achieved a 1000-fold increase in solution speed. The reduced computational cost allows a more systematic search of the parameter space, leading to better fits to the available experimental data. We applied this approach to the problem of methanol synthesis by CO/CO2 hydrogenation over a supported-Cu catalyst, an important catalytic reaction with a large industrial interest and potential for large-scale CO2 chemical fixation.

  18. First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts

    SciTech Connect (OSTI)

    Oberhofer, Harald; Reuter, Karsten

    2013-07-28

    We adapt the computational hydrogen electrode approach to explicitly account for photo-generated charges and use it to computationally screen for viable catalyst/co-catalyst combinations for photo-catalytic water splitting. The hole energy necessary to thermodynamically drive the reaction is employed as descriptor for the screening process. Using this protocol and hybrid-level density-functional theory, we show that water oxidation on bare TiO{sub 2} surfaces is thermodynamically more complex than previously thought. This motivates a screening for suitable co-catalysts for this half-reaction, which we carry out for Au particles down to the non-scalable size regime. We find that almost all small Au clusters studied are better suited for water photo-oxidation than an extended Au(111) surface or bare TiO{sub 2} facets.

  19. Compact solid source of hydrogen gas

    DOE Patents [OSTI]

    Kravitz, Stanley H.; Hecht, Andrew M.; Sylwester, Alan P.; Bell, Nelson S.

    2004-06-08

    A compact solid source of hydrogen gas, where the gas is generated by contacting water with micro-disperse particles of sodium borohydride in the presence of a catalyst, such as cobalt or ruthenium. The micro-disperse particles can have a substantially uniform diameter of 1-10 microns, and preferably about 3-5 microns. Ruthenium or cobalt catalytic nanoparticles can be incorporated in the micro-disperse particles of sodium borohydride, which allows a rapid and complete reaction to occur without the problems associated with caking and scaling of the surface by the reactant product sodium metaborate. A closed loop water management system can be used to recycle wastewater from a PEM fuel cell to supply water for reacting with the micro-disperse particles of sodium borohydride in a compact hydrogen gas generator. Capillary forces can wick water from a water reservoir into a packed bed of micro-disperse fuel particles, eliminating the need for using an active pump.

  20. Extremely weak hydrogen flames

    SciTech Connect (OSTI)

    Lecoustre, V.R.; Sunderland, P.B. [Department of Fire Protection Engineering, University of Maryland, College Park, MD 20742 (United States); Chao, B.H. [Department of Mechanical Engineering, University of Hawaii, Honolulu, HI 96822 (United States); Axelbaum, R.L. [Department of Energy, Environmental and Chemical Engineering, Washington University in St. Louis, St. Louis, MO 63130 (United States)

    2010-11-15

    Hydrogen jet diffusion flames were observed near their quenching limits. These involved downward laminar flow of hydrogen from a stainless steel hypodermic tube with an inside diameter of 0.15 mm. Near their quenching limits these flames had hydrogen flow rates of 3.9 and 2.1 {mu}g/s in air and oxygen, respectively. Assuming complete combustion, the associated heat release rates are 0.46 and 0.25 W. To the authors' knowledge, these are the weakest self-sustaining steady flames ever observed. (author)

  1. Chromatographic hydrogen isotope separation

    DOE Patents [OSTI]

    Aldridge, F.T.

    Intermetallic compounds with the CaCu/sub 5/ type of crystal structure, particularly LaNiCo/sub 4/ and CaNi/sub 5/, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation column. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale multi-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen cn produce large quantities of heavy water at an effective cost for use in heavy water reactors.

  2. Chromatographic hydrogen isotope separation

    DOE Patents [OSTI]

    Aldridge, Frederick T.

    1981-01-01

    Intermetallic compounds with the CaCu.sub.5 type of crystal structure, particularly LaNiCo.sub.4 and CaNi.sub.5, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation colum. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale mutli-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen can produce large quantities of heavy water at an effective cost for use in heavy water reactors.

  3. Novel Fast Pyrolysis/Catalytic Technology for the Production of Stable Upgraded Liquids

    SciTech Connect (OSTI)

    Oyama, Ted; Agblevor, Foster; Battaglia, Francine; Klein, Michael

    2013-01-18

    The objective of the proposed research is the demonstration and development of a novel biomass pyrolysis technology for the production of a stable bio-oil. The approach is to carry out catalytic hydrodeoxygenation (HDO) and upgrading together with pyrolysis in a single fluidized bed reactor with a unique two-level design that permits the physical separation of the two processes. The hydrogen required for the HDO will be generated in the catalytic section by the water-gas shift reaction employing recycled CO produced from the pyrolysis reaction itself. Thus, the use of a reactive recycle stream is another innovation in this technology. The catalysts will be designed in collaboration with BASF Catalysts LLC (formerly Engelhard Corporation), a leader in the manufacture of attrition-resistant cracking catalysts. The proposed work will include reactor modeling with state-of-the-art computational fluid dynamics in a supercomputer, and advanced kinetic analysis for optimization of bio-oil production. The stability of the bio-oil will be determined by viscosity, oxygen content, and acidity determinations in real and accelerated measurements. A multi-faceted team has been assembled to handle laboratory demonstration studies and computational analysis for optimization and scaleup.

  4. Thermochemical method for producing hydrogen from hydrogen sulfide

    SciTech Connect (OSTI)

    Herrington, D.R.

    1984-02-21

    Hydrogen is produced from hydrogen sulfide by a 3-step, thermochemical process comprising: (a) contacting hydrogen sulfide with carbon dioxide to form carbonyl sulfide and water, (b) contacting the carbonyl sulfide produced in (a) with oxygen to form carbon monoxide and sulfur dioxide, and (c) contacting the carbon monoxide produced in (b) with water to form carbon dioxide and hydrogen.

  5. Advancing the hydrogen safety knowledge base

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

    Weiner, S. C.

    2014-12-01

    A White Paper of the International Energy Agency Hydrogen Implementing Agreement Task 31 - Hydrogen Safety

  6. Advancing the Hydrogen Safety Knowledge Base

    SciTech Connect (OSTI)

    Weiner, Steven C.

    2014-12-01

    A White Paper of the International Energy Agency Hydrogen Implementing Agreement Task 31 - Hydrogen Safety

  7. Molecular Foundry

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

    EVENTS ARCHIVE The Molecular Foundry regularly offers seminars and events that feature compelling research and information for those who investigate at the nanoscale. Seminars occur on Tuesdays at 11:00 am, in Building 67, Room 3111 unless otherwise noted. < seminars and events Molecular Foundry 10th Anniversary Symposium and Dinner On March 24, 2016, the Molecular Foundry will be celebrating the 10th anniversary of the dedication of its iconic building with a full day scientific symposium

  8. Hydrogen Sensor Workshop Agenda

    Broader source: Energy.gov [DOE]

    Agenda for the Hydrogen Sensor Workshop held June 8, 2011, in Chicago, Illinois.The workshop was hosted by the U.S. Department of Energy's National Renewable Energy Laboratory.

  9. Hydrogen Compatible Materials Workshop

    Broader source: Energy.gov [DOE]

    Summary of the Hydrogen Compatible Materials Workshop held November, 3, 2010, at Sandia National Laboratories in Livermore, California. Summary includes the workshop agenda, an overview of the morning presentations, a discussion of the afternoon meeting, and a list of participants.

  10. Thin film hydrogen sensor

    DOE Patents [OSTI]

    Lauf, R.J.; Hoffheins, B.S.; Fleming, P.H.

    1994-11-22

    A hydrogen sensor element comprises an essentially inert, electrically-insulating substrate having a thin-film metallization deposited thereon which forms at least two resistors on the substrate. The metallization comprises a layer of Pd or a Pd alloy for sensing hydrogen and an underlying intermediate metal layer for providing enhanced adhesion of the metallization to the substrate. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors, and at least one of the resistors is left uncovered. The difference in electrical resistances of the covered resistor and the uncovered resistor is related to hydrogen concentration in a gas to which the sensor element is exposed. 6 figs.

  11. DOE Hydrogen Program Overview

    Broader source: Energy.gov [DOE]

    Presentation by 01-Paster to DOE Hydrogen Pipeline R&D Project Review Meeting held January 5-6, 2005 at Oak Ridge National Laboratory in Oak Ridge, Tennessee.

  12. The Hydrogen Connection

    SciTech Connect (OSTI)

    Barilo, Nick F.

    2014-05-01

    As the world seeks to identify alternative energy sources, hydrogen and fuel cell technologies will offer a broad range of benefits for the environment, the economy and energy security.

  13. Hydrogen Fuel Cell Demonstration ...

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

    Brothers, Ltd., at their facility in the Port of Honolulu. The pilot hydrogen fuel cell unit will be used in place of a diesel generator currently used to provide power for...

  14. Hydrogen storage compositions

    DOE Patents [OSTI]

    Li, Wen; Vajo, John J.; Cumberland, Robert W.; Liu, Ping

    2011-04-19

    Compositions for hydrogen storage and methods of making such compositions employ an alloy that exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The composition includes a ternary alloy including magnesium, boron and a metal and a metal hydride. The ternary alloy and the metal hydride are present in an amount sufficient to render the composition capable of hydrogen storage. The molar ratio of the metal to magnesium and boron in the alloy is such that the alloy exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The hydrogen storage composition is prepared by combining magnesium, boron and a metal to prepare a ternary alloy and combining the ternary alloy with a metal hydride to form the hydrogen storage composition.

  15. National Hydrogen Energy Roadmap

    Fuel Cell Technologies Publication and Product Library (EERE)

    This report was unveiled by Energy Secretary Spencer Abraham in November 2002 and provides a blueprint for the coordinated, long-term, public and private efforts required for hydrogen energy developme

  16. Chemical Hydrogen Storage Materials

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

    ... H 2 s, T 125-200C) * high hydrogen selectivities (S ... 3.2 kg Media H 2 Density mat ) ( m )( mat ) kg H 2 L 0.07 * HD polyethylene tank 6.2 kg ...

  17. Bacterial Fermentative Hydrogen Production

    Broader source: Energy.gov [DOE]

    Presentation by Melanie Mormile, Missouri University of Science and Technology, at the Biological Hydrogen Production Workshop held September 24-25, 2013, at the National Renewable Energy Laboratory in Golden, Colorado.

  18. Biological Hydrogen Production Workshop

    Broader source: Energy.gov [DOE]

    The U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL) held a Biological Hydrogen Production Workshop on September 24–25, 2013, in Golden, Colorado. The workshop...

  19. Catalytic Reforming Downstream Processing of Fresh Feed Input

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

    Process: Catalytic Reforming Catalytic Cracking Catalytic Hydrocracking Delayed and Fluid Coking Period-Unit: Monthly-Thousand Barrels per Day Annual-Thousand Barrels per Day Download Series History Download Series History Definitions, Sources & Notes Definitions, Sources & Notes Show Data By: Process Area Sep-15 Oct-15 Nov-15 Dec-15 Jan-16 Feb-16 View History U.S. 2,837 2,690 2,748 2,812 2,668 2,629 2010-2016 PADD 1 160 185 192 172 192 183 2010-2016 East Coast 144 171 176 155 175 167

  20. Hydrogen Storage Fact Sheet | Department of Energy

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

    Storage Fact Sheet Hydrogen Storage Fact Sheet Fact sheet produced by the Fuel Cell Technologies Office describing hydrogen storage. PDF icon Hydrogen Storage More Documents & Publications US DRIVE Hydrogen Storage Technical Team Roadmap Hydrogen & Our Energy Future