Sample records for molecular catalytic hydrogenation

  1. Mechanism of heterogeneous catalytic reactions involving molecular hydrogen

    SciTech Connect (OSTI)

    Golodets, G.I.

    1987-07-01T23:59:59.000Z

    By means of various physicochemical methods, including kinetics, the mechanism of a series of reactions involving molecular H/sub 2/ (the hydrogenation of carbonyl compounds, nitriles, carbon monoxide, molecular nitrogen, and oxygen) on metallic catalysts of different chemical compositions and degrees of dispersion has been investigated. Some general laws for reactions of this class are formulated.

  2. 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...

  3. CATALYTICALLY ENCHANCED SYSTEMS FOR HYDROGEN STORAGE

    E-Print Network [OSTI]

    to the conversion of the world to a "hydrogen economy" is the problem of onboard hydrogen storage. Despite decadesCATALYTICALLY ENCHANCED SYSTEMS FOR HYDROGEN STORAGE Craig M. Jensen, Dalin Sun, Sesha Sai RamanH/Al and the reverse hydrogenation reactions have been determined through kinetic studies of 2 mol % Ti and Zr doped

  4. High Catalytic Rates for Hydrogen Production Using Nickel Electrocatal...

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

    High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Diphosphine Ligands Containing High Catalytic Rates for Hydrogen Production Using...

  5. Catalytic two-stage coal hydrogenation and hydroconversion process

    DOE Patents [OSTI]

    MacArthur, James B. (Denville, NJ); McLean, Joseph B. (So. Somerville, NJ); Comolli, Alfred G. (Yardley, PA)

    1989-01-01T23:59:59.000Z

    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.

  6. Performance characterization of a hydrogen catalytic heater.

    SciTech Connect (OSTI)

    Johnson, Terry Alan; Kanouff, Michael P.

    2010-04-01T23:59:59.000Z

    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.

  7. Catalytically Enhanced Hydrogen Storage Systems

    E-Print Network [OSTI]

    with the Freedom CAR hydrogen storage system targets (Key parameters: cost, specific energy, and energy density). #12;Objectives I. Determination of the chemical nature of the titanium species responsible that are compatible with the Freedom CAR hydrogen storage system targets. Key parameters: cost, specific energy

  8. Bipolar Electrochemical Mechanism for the Propulsion of Catalytic Nanomotors in Hydrogen Peroxide Solutions

    E-Print Network [OSTI]

    Bipolar Electrochemical Mechanism for the Propulsion of Catalytic Nanomotors in Hydrogen Peroxide the bipolar electrochemical propulsion mechanism for bimetallic nanorods. Introduction Catalyic molecular nonbiological schemes for making micro/nanoscale ma- chines involve externally applied magnetic2 or electrical

  9. Advanced Catalytic Hydrogenation Retrofit Reactor

    SciTech Connect (OSTI)

    Reinaldo M. Machado

    2002-08-15T23:59:59.000Z

    Industrial hydrogenation is often performed using a slurry catalyst in large stirred-tank reactors. These systems are inherently problematic in a number of areas, including industrial hygiene, process safety, environmental contamination, waste production, process operability and productivity. This program proposed the development of a practical replacement for the slurry catalysts using a novel fixed-bed monolith catalyst reactor, which could be retrofitted onto an existing stirred-tank reactor and would mitigate many of the minitations and problems associated with slurry catalysts. The full retrofit monolith system, consisting of a recirculation pump, gas/liquid ejector and monolith catalyst, is described as a monolith loop reactor or MLR. The MLR technology can reduce waste and increase raw material efficiency, which reduces the overall energy required to produce specialty and fine chemicals.

  10. Catalytic carbon membranes for hydrogen production

    SciTech Connect (OSTI)

    Damle, A.S.; Gangwal, S.K.

    1992-01-01T23:59:59.000Z

    Commercial carbon composite microfiltration membranes may be modified for gas separation applications by providing a gas separation layer with pores in the 1- to 10-nm range. Several organic polymeric precursors and techniques for depositing a suitable layer were investigated in this project. The in situ polymerization technique was found to be the most promising, and pure component permeation tests with membrane samples prepared with this technique indicated Knudsen diffusion behavior. The gas separation factors obtained by mixed-gas permeation tests were found to depend strongly on gas temperature and pressure indicating significant viscous flow at high-pressure conditions. The modified membranes were used to carry out simultaneous water gas shift reaction and product hydrogen separation. These tests indicated increasing CO conversions with increasing hydrogen separation. A simple process model was developed to simulate a catalytic membrane reactor. A number of simulations were carried out to identify operating conditions leading to product hydrogen concentrations over 90 percent. (VC)

  11. Catalytic Membrane Reactor for Extraction of Hydrogen from Bioethanol Reforming

    E-Print Network [OSTI]

    Kuncharam, Bhanu Vardhan

    2013-11-26T23:59:59.000Z

    This research explores a novel application of catalytic membrane reactors for high- purity hydrogen extraction from bioethanol reforming. Conventional membrane systems employ hydrogen permselective materials such as palladium, polymer membranes...

  12. Microchannel Reactor System for Catalytic Hydrogenation

    SciTech Connect (OSTI)

    Adeniyi Lawal; Woo Lee; Ron Besser; Donald Kientzler; Luke Achenie

    2010-12-22T23:59:59.000Z

    We successfully demonstrated a novel process intensification concept enabled by the development of microchannel reactors, for energy efficient catalytic hydrogenation reactions at moderate temperature, and pressure, and low solvent levels. We designed, fabricated, evaluated, and optimized a laboratory-scale microchannel reactor system for hydrogenation of onitroanisole and a proprietary BMS molecule. In the second phase of the program, as a prelude to full-scale commercialization, we designed and developed a fully-automated skid-mounted multichannel microreactor pilot plant system for multiphase reactions. The system is capable of processing 1 – 10 kg/h of liquid substrate, and an industrially relevant immiscible liquid-liquid was successfully demonstrated on the system. Our microreactor-based pilot plant is one-of-akind. We anticipate that this process intensification concept, if successfully demonstrated, will provide a paradigm-changing basis for replacing existing energy inefficient, cost ineffective, environmentally detrimental slurry semi-batch reactor-based manufacturing practiced in the pharmaceutical and fine chemicals industries.

  13. Hydrogen permeable protective coating for a catalytic surface

    DOE Patents [OSTI]

    Liu, Ping (Irvine, CA); Tracy, C. Edwin (Golen, CO); Pitts, J. Roland (Lakewood, CO); Lee, Se-Hee (Lakewood, CO)

    2007-06-19T23:59:59.000Z

    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.

  14. Method for low temperature catalytic production of hydrogen

    DOE Patents [OSTI]

    Mahajan, Devinder

    2003-07-22T23:59:59.000Z

    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.

  15. Molecular Components of Catalytic Selectivity

    SciTech Connect (OSTI)

    Somorjai, Gabor A.; Park, Jeong Y.

    2008-07-02T23:59:59.000Z

    Selectivity, that is, to produce one molecule out of many other thermodynamically feasible product molecules, is the key concept to develop 'clean manufacturing' processes that do not produce byproducts (green chemistry). Small differences in potential energy barriers for elementary reaction steps control which reaction channel is more likely to yield the desired product molecule (selectivity), instead of the overall activation energy for the reaction that controls turnover rates (activity). Recent studies have demonstrated the atomic- or molecular-level tailoring of parameters such as the surface structures of active sites that give rise to nanoparticle size and shape dependence of turnover rates and reaction selectivities. Here, we highlight seven molecular components that influence reaction selectivities. These include: surface structure, adsorbate-induced restructuring, adsorbate mobility, reaction intermediates, surface composition, charge transport, and oxidation states for model metal single crystal and colloid nanoparticle catalysts. We show examples of their functioning and describe in-situ instruments that permit us to investigate their roles in surface reactions.

  16. Catalytic Combustion for Ultra-Low NOx Hydrogen Turbines

    SciTech Connect (OSTI)

    Etemad, Shahrokh; Baird, Benjamin; Alavandi, Sandeep

    2011-06-30T23:59:59.000Z

    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.

  17. Coal hydrogenation and deashing in ebullated bed catalytic reactor

    DOE Patents [OSTI]

    Huibers, Derk T. A. (Pennington, NJ); Johanson, Edwin S. (Princeton, NJ)

    1983-01-01T23:59:59.000Z

    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.

  18. Catalytic carbon membranes for hydrogen production. Final report

    SciTech Connect (OSTI)

    Damle, A.S.; Gangwal, S.K.

    1992-01-01T23:59:59.000Z

    Commercial carbon composite microfiltration membranes may be modified for gas separation applications by providing a gas separation layer with pores in the 1- to 10-nm range. Several organic polymeric precursors and techniques for depositing a suitable layer were investigated in this project. The in situ polymerization technique was found to be the most promising, and pure component permeation tests with membrane samples prepared with this technique indicated Knudsen diffusion behavior. The gas separation factors obtained by mixed-gas permeation tests were found to depend strongly on gas temperature and pressure indicating significant viscous flow at high-pressure conditions. The modified membranes were used to carry out simultaneous water gas shift reaction and product hydrogen separation. These tests indicated increasing CO conversions with increasing hydrogen separation. A simple process model was developed to simulate a catalytic membrane reactor. A number of simulations were carried out to identify operating conditions leading to product hydrogen concentrations over 90 percent. (VC)

  19. Final Report, "Molecular Design of Hydrocarbon Oxidation Catalytic Processes"

    SciTech Connect (OSTI)

    Professor Francisco Zaera

    2007-08-09T23:59:59.000Z

    The main goal of this project had been to use model systems to correlate selectivities in partial oxidation catalysis with the presence of specific sites on the surface of the catalyst. Extensive work was performed this year on characterizing oxygen-treated nickel surfaces by chemical means. Specifically, the surface chemistry of ammonia coadsorbed with atomic oxygen on Ni(110) single-crystal surfaces was studied by temperature-programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS). It was determined that at intermediate oxygen coverages direct ammonia adsorption on nickel sites is suppressed, but a new high-temperature reaction regime is generated at 400 K where NHx surface fragments are rehydrogenated concurrently with the production of water and molecular hydrogen. The extensive isotope scrambling and hydrogen transfer seen from nitrogen- to oxygen-containing surface intermediates, and the optimum yields seen for this 400 K state at intermediate oxygen coverages, strongly suggest the direct interaction of the adsorbed ammonia with oxygen atoms at the end of the –Ni–O- rows that form upon reconstruction of the surface. Hydrogen transfer between ammonia and oxygen appears to take place directly via hydrogen bonding, and to be reversible but biased towards water formation. An equilibrium is reached between the produced water and the reacting surface oxygen and hydrogen. The strong influence of the OH surface groups on the thermal chemistry of the adsorbed ammonia was interpreted in terms of the adsorbing geometry of the OH groups on the surface, and of hydrogen bonding between adsorbed OH and NH3 species. In terms of alcohol reactivity, the adsorption of 2-iodoethanol, a precursor for the preparation of 2-hydroxyethyl and oxametallacycle surface species, was found to lead to two configurations involving either just the iodine atom or both iodine and hydroxyl ends of the molecule. A complex chemical behavior starts around 140 K with the production of small amounts of ethylene and water, most likely via the concerted decomposition or disproportionation of the adsorbed molecular species. The bulk of the 2-iodoethanol decomposes at about 150 K via an initial carbon-iodine scission to form –O(H)CH2CH2– (~80%) and 2-hydroxyethyl (~20%) intermediates. Two competing reactions are involved with the subsequent conversion of the 2-hydroxyethyl species around 160 K, a reductive elimination with surface hydrogen to yield ethanol, and a ?-H elimination to surface vinyl alcohol. The –O(H)CH2CH2–, on the other hand, dehydrogenates to a –OCH2CH2– oxametallacycle species about the same temperature. Both 2-hydroxyethyl and oxametallacycle species tautomerize to acetaldehyde, around 210 K and above 250 K, respectively, and some of that acetaldehyde desorbs while the rest decomposes to hydrogen and carbon monoxide. We contend that a better understanding of the surface chemistry of oxygen-containing surfaces can lead to better selectivities in catalysis. This is arguably the most important issue in the field of catalysis in the near future, and one that impacts several technologies of interest to DOE such as the manufacturing of speciality chemicals and the control and removal of pollutants. Additional work was performed on the characterization of the chemistry of methyl and methylene adsorbed species on oxygen-treated nickel surfaces. Complex chemistry was observed involving not only hydrogenation and dehydrogenation steps, but also C-C couplings and methylene insertions to produce heavier hydrocarbons, and oxygen insertion reactions that yield oxygenates. Finally, a dual titration technique employing xenon and a chemically sensitive probe was developed to identify minority catalytic sites on oxide surfaces. In the case of oxygen-treated Ni(110) single crystals, it was found that both hydrogen transfer with adsorbed water or ammonia and certain hydrocarbon hydrogenation reactions take place at the end of the –Ni–O rows that form in this system. Carbon and nitrogen oxides, on the other hand, display no pre

  20. Reaction rate kinetics for the non-catalytic hydrogenation of Texas lignite with tetralin and hydrogen gas

    E-Print Network [OSTI]

    Shumbera, David Allen

    1980-01-01T23:59:59.000Z

    REACTION RATE KINETICS FOR HE NON-CATALYTIC HYDROGENATION OF TEXAS LIGNITE WITH TETRALIN AND HYDROGEN GAS A Thesis by DAVID ALLEN SHUMBERA Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement... for the degree of MASTER OF SCIENCE May 1980 Major Subject: Chemical Engineering REACTION RATE KINETICS FOR THE NON-CATALYTIC HYDROGENATION OF TEXAS LIGNITE WITH TETRALIN AND HYDROGEN GAS A Thesis by DAVID ALLEN SHUMBERA Approved as to style and content...

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

    SciTech Connect (OSTI)

    Koopman, D.

    2009-07-10T23:59:59.000Z

    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 Hydrogen in Infrared Cirrus

    E-Print Network [OSTI]

    Kristen Gillmon; J. Michael Shull

    2005-07-25T23:59:59.000Z

    We combine data from our recent FUSE survey of interstellar molecular hydrogen absorption toward 50 high-latitude AGN with COBE-corrected IRAS 100 micron emission maps to study the correlation of infrared cirrus with H2. A plot of the H2 column density vs. IR cirrus intensity shows the same transition in molecular fraction, f_H2, as seen with total hydrogen column density, N_H. This transition is usually attributed to H2 self-shielding, and it suggests that many diffuse cirrus clouds contain H2 in significant fractions, f_H2 = 1-30%. These clouds cover approximately 50% of the northern sky at latitudes b > 30 degrees, at temperature-corrected 100 micron intensities D_100 > 1.5 MJy/sr. The sheetlike cirrus clouds, with hydrogen densities n_H > 30 cm^-3, may be compressed by dynamical processes at the disk-halo interface, and they are conducive to H2 formation on grain surfaces. Exploiting the correlation between N(H2) and 100 micron intensity, we estimate that cirrus clouds at b > 30 contain approximately 3000 M_sun in H2. Extrapolated over the inner Milky Way, the cirrus may contain 10^7 M_sun of H2 and 10^8 M_sun in total gas mass. If elevated to 100 pc, their gravitational potential energy is ~10^53 erg.

  3. Control of Natural Gas Catalytic Partial Oxidation for Hydrogen Generation in Fuel Cell Applications1

    E-Print Network [OSTI]

    Peng, Huei

    Control of Natural Gas Catalytic Partial Oxidation for Hydrogen Generation in Fuel Cell the anode field of fuel cell stack is considered. The first reactor that generates the majority in the fuel cell anode and (ii) the temperature of the catalytic partial oxidation reactor during transient

  4. ENGINEERING SCALE UP OF RENEWABLE HYDROGEN PRODUCTION BY CATALYTIC STEAM REFORMING OF PEANUT

    E-Print Network [OSTI]

    ENGINEERING SCALE UP OF RENEWABLE HYDROGEN PRODUCTION BY CATALYTIC STEAM REFORMING OF PEANUT SHELLS, and academic organizations is developing a steam reforming process to be demonstrated on the gaseous byproducts, catalytic, steam-reforming reactor was then successfully operated on methane and peanut shell pyrolysis

  5. Mechanistic Insights into Hydride Transfer for Catalytic Hydrogenation of CO2 with Cobalt Complexes

    SciTech Connect (OSTI)

    Kumar, Neeraj; Camaioni, Donald M.; Dupuis, Michel; Raugei, Simone; Appel, Aaron M.

    2014-08-21T23:59:59.000Z

    The catalytic hydrogenation of CO2 to formate by Co(dmpe)2H can proceeds via direct hydride transfer or via CO2 coordination to Co followed by reductive elimination of formate. Both pathways have activation barriers consistent with experiment (~17.5 kcal/mol). Controlling the basicity of Co by ligand design is key to improve catalysis. The research by N.K., D.M.C. and A.M.A. was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. The research by S.R. and M.D. 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. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for the DOE by Battelle.

  6. Molecular catalytic coal liquid conversion. Quarterly status report, April 1995--June 1995

    SciTech Connect (OSTI)

    Stock, L.M.

    1995-06-30T23:59:59.000Z

    In this Quarter, the research was focused continually on the two general tasks: Task 1, molecular organometallic catalysts for hydrogenation and Task 2, organic base catalysts for arene hydrogenation and the hydrotreating of the coal liquids. With regards to Task 1, the [1,5-HDRhCl]{sub 2}/buffer catalyst system was investigated to improve its performance, especially catalyst`s stability. Although the addition of a phase transfer agent will usually reduce the catalyst`s activity as described in the last report, a small amount of some surfactant molecules can improve the catalyst`s stability without apparently affecting the catalytic activity. Task 2 was continually focused on the hydrotreating of coal liquid (VSOH) catalyzed by Catalyst 2 and Catalyst 5. The dependence of temperature and hydrogenation pressure on the hydrotreating of VSOH was investigated systematically. The coal liquid hydrotreated at 300{degrees}C has an H/C ratio of 1.53 while that treated at 100{degrees}C has an H/C ratio of only 1.43. We found that 1000 psig of hydrogen pressure was needed for the reaction to proceed completely. Other catalytic alkali metal bis(trimethylsilyl)amides were also investigated to hydrotreat the same coal liquid. Potassium bis(trimethylsilyl)amide was more active than lithium bis(trimethylsilyl)amide and sodium bis(trimethylsilyl)amide.

  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.

    1989-10-17T23:59:59.000Z

    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. (Denville, NJ); Comolli, Alfred G. (Yardley, PA); McLean, Joseph B. (Somerville, NJ)

    1989-01-01T23:59:59.000Z

    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. advanced catalytic hydrogenation: Topics by E-print Network

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

    produc Kik, Pieter 188 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  10. Molecular Hydrogen Emission from Protoplanetary Disks

    E-Print Network [OSTI]

    H. Nomura; T. J. Millar

    2005-05-06T23:59:59.000Z

    We have modeled self-consistently the density and temperature profiles of gas and dust in protoplanetary disks, taking into account irradiation from a central star. Making use of this physical structure, we have calculated the level populations of molecular hydrogen and the line emission from the disks. As a result, we can reproduce the observed strong line spectra of molecular hydrogen from protoplanetary disks, both in the ultraviolet (UV) and the near-infrared, but only if the central star has a strong UV excess radiation.

  11. Catalytic Modification of Polymers: Hydrogenation Routes to Amine Functional Materials

    E-Print Network [OSTI]

    segment can be placed at the core or the corona of the micelle. The catalyst can access the corona more easily than the core, so the segment in the corona is hydrogenated faster. Further reactions

  12. Control of hydrogen release and uptake in amine borane molecular...

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

    uptake in amine borane molecular complexes: Thermodynamics of ammonia borane, ammonium Control of hydrogen release and uptake in amine borane molecular complexes: Thermodynamics of...

  13. 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)

    2002-01-01T23:59:59.000Z

    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.

  14. Hydrogen ions produced by plasma-assisted catalytic ionization using nickel grid

    SciTech Connect (OSTI)

    Oohara, W.; Kawata, K.; Hibino, T. [Department of Electronic Device Engineering, Yamaguchi University, Ube 755-8611 (Japan)] [Department of Electronic Device Engineering, Yamaguchi University, Ube 755-8611 (Japan)

    2013-06-15T23:59:59.000Z

    Positive and negative hydrogen ions are produced by plasma-assisted catalytic ionization using a nickel grid, where the irradiation current density of positive ions onto the grid can be controlled by the discharge power. The irradiation energy can be controlled by both the grid potential and the discharge plasma potential. Extraction properties and energy distributions of positive and negative ions produced in the cases of using the grid and a porous nickel plate are compared. Two production mechanisms of negative ions are found in the process of plasma-assisted catalytic ionization.

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

    SciTech Connect (OSTI)

    Elliott, Douglas C.

    2006-02-14T23:59:59.000Z

    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.

  16. Short residence time coal liquefaction process including catalytic hydrogenation

    DOE Patents [OSTI]

    Anderson, Raymond P. (Overland Park, KS); Schmalzer, David K. (Englewood, CO); Wright, Charles H. (Overland Park, KS)

    1982-05-18T23:59:59.000Z

    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.

  17. Short residence time coal liquefaction process including catalytic hydrogenation

    DOE Patents [OSTI]

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

    1982-05-18T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    McLean, William J. (Oakland, CA); Thorne, Lawrence R. (Livermore, CA); Volponi, Joanne V. (Livermore, CA)

    1988-01-01T23:59:59.000Z

    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.

  19. 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.

    2012-09-14T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Elliot, Douglas C. (Richland, WA); Werpy, Todd A. (West Richland, WA); Wang, Yong (Richland, WA); Frye, Jr., John G. (Richland, WA)

    2001-01-01T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Koopman, D. C.

    2013-01-22T23:59:59.000Z

    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.

  2. Catalytic process for control of NOx emissions using hydrogen

    DOE Patents [OSTI]

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

    2010-05-18T23:59:59.000Z

    A selective catalytic reduction process with a palladium catalyst for reducing NOx in a gas, using hydrogen as a reducing agent. A zirconium sulfate (ZrO2)SO4 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 (ZrO2--SiO2)SO4. H2O and hydrogen may be injected into the exhaust gas upstream of the catalyst to a concentration of about 15-23 vol. % H2O and a molar ratio for H2/NOx 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. Catalytic conversion of hydrocarbons to hydrogen and high-value carbon

    DOE Patents [OSTI]

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

    2005-04-05T23:59:59.000Z

    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.

  4. NOVEL CATALYTIC EFFECTS OF FULLERENE FOR LIBH4 HYDROGEN UPTAKE AND RELEASE

    SciTech Connect (OSTI)

    Wellons, M; Ragaiy Zidan, R; Polly Perseth, P

    2008-11-10T23:59:59.000Z

    Our recent novel finding, involving a synergistic experiment and first-principles theory, shows that carbon nanostructures can be used as catalysts for hydrogen uptake/release in aluminum based complex metal hydrides (sodium alanate) and also provides an unambiguous understanding of how the catalysts work. Here we show that the same concepts can be applied to boron based complex hydride such as lithium borohydride, LiBH{sub 4}. Taking into account electronegativity and curvature effect a fullerene-LiBH{sub 4} composite demonstrates catalytic properties with not only lowered hydrogen desorption temperatures, but regenerative rehydriding at relatively lower temperature of 350 C. This catalytic effect likely originates from interfering with the charge transfer from Li to the BH4 moiety, resulting in an ionic bond between Li{sup +} and BH{sub 4}{sup -}, and a covalent bond between B and H. Interaction of LiBH{sub 4} with an electronegative substrate such as carbon fullerene affects the ability of Li to donate its charge to BH{sub 4}, consequently weakening the B-H bond and causing hydrogen to desorb at lower temperatures as well as facilitating the absorption of H{sub 2} to reverse the dehydrogenation reaction. Degradation of cycling capacity is observed and is attributed to forming irreversible intermediates or diboranes.

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

    E-Print Network [OSTI]

    Huang, Wenyu

    2009-01-01T23:59:59.000Z

    Scheme 2) and pyrrole hydrogenation (Scheme 3). Synthesis ofSynthesis of One Nanometer Rh and Pt Particles Supported on Mesoporous Silica: Catalytic Activity for Ethylene and Pyrrole

  6. Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation

    E-Print Network [OSTI]

    Brenner, Donald W.

    Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation S.J.V. Frankland *, D hydrogen in individual single-shell carbon nanotubes and nanotube ropes using a semiclassical model. The calculations predict that isolated hydrogen molecules inside of nanotubes have a Raman frequency that increases

  7. Wave Packet Simulations of Antiproton Scattering on Molecular Hydrogen

    E-Print Network [OSTI]

    Stegeby, Henrik; Piszczatowski, Konrad; Karlsson, Hans O

    2015-01-01T23:59:59.000Z

    The problem of antiproton scattering on the molecular Hydrogen is investigated by means of wave packet dynamics. The electronically potential energy surfaces of the antiproton H2 system are presented within this work. Excitation and dissociation probabilities of the molecular Hydrogen for collision energies in the ultra low energy regime below 10 eV are computed.

  8. COLLISIONS OF FAST, HIGHLY STRIPPED CARBON, NIOBIUM, AND LEAD IONS WITH MOLECULAR HYDROGEN

    E-Print Network [OSTI]

    Schlachter, A.S.

    2013-01-01T23:59:59.000Z

    AND LEAD IONS WITH MOLECULAR HYDROGEN A.S. Schlachter, K.H.and Lead Ions with Molecular Hydrogen A.S. Schlachter, K.H.and lead ions in molecular hydrogen. PACS numbers: 34.70. +

  9. Molecular hydrogen uptake by soils in forest, desert, and marsh ecosystems in California

    E-Print Network [OSTI]

    Smith-Downey, Nicole V; Randerson, James T; Eiler, John M

    2008-01-01T23:59:59.000Z

    Elkins (1999), Molecular hydrogen in the troposphere: GlobalGlobal budget of molecular hydrogen and its deuterium con-and dD of molecular hydrogen in boreal forests: Ecosys- tem-

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

    SciTech Connect (OSTI)

    Koopman, D. C.

    2004-12-31T23:59:59.000Z

    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.

  11. Physisorption of molecular hydrogen on carbon nanotube with vacant defects

    SciTech Connect (OSTI)

    Sun, Gang; Shen, Huaze; Wang, Enge; Xu, Limei, E-mail: limei.xu@pku.edu.cn [International Center for Quantum Materials and School of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing (China); Tangpanitanon, Jirawat [University of Cambridge, Cambridge, Cambridgeshire CB2 1TP (United Kingdom); Wen, Bo [International Center for Quantum Materials and School of Physics, Peking University, Beijing 100871 (China); Beijing Computational Science Research Center, Heqing Street, Haidian District, Beijing 100084 (China); Xue, Jianming [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Center for Applied Physics and Technology, Peking University, Beijing 100871 (China)

    2014-05-28T23:59:59.000Z

    Physisorption of molecular hydrogen on single-walled carbon nanotubes (SWCNTs) is important for its engineering applications and hydrogen energy storage. Using molecular dynamics simulation, we study the physisorption of molecular hydrogen on a SWCNT with a vacant defect, focusing on the effect of the vacant defect size and external parameters such as temperature and pressure. We find that hydrogen can be physisorbed inside a SWCNT through a vacant defect when the defect size is above a threshold. By controlling the size of the defects, we are able to extract hydrogen molecules from a gas mixture and store them inside the SWCNT. We also find that external parameters, such as low temperature and high pressure, enhance the physisorption of hydrogen molecules inside the SWCNT. In addition, the storage efficiency can be improved by introducing more defects, i.e., reducing the number of carbon atoms on the SWCNT.

  12. Hydrogenation of aromatics in synthetic crude distillates catalyzed by platinum supported in molecular sieves

    SciTech Connect (OSTI)

    Kimbara, N.; Charland, J.P. [CANMET, Ottawa, Ontario (Canada)] [CANMET, Ottawa, Ontario (Canada); Wilson, M.F. [CANMET, Devon, Alberta (Canada)] [CANMET, Devon, Alberta (Canada)

    1996-11-01T23:59:59.000Z

    Catalytic hydrogenation of synthetic crude distillates from Canadian oil sands was carried out over platinum metal supported in pillared interlayered clay (PILC) and Y-zeolite. The molecular sieve supports were employed to modify the properties of dispersed platinum particles and improve their resistance to poisoning by sulfur. The objective was to reduce the distillate aromatic content to meet diesel emission control standards and cetane number requirements. Catalysts were prepared in a series of steps, and metal precursor was loaded using ion-exchange procedures. Characterization was done using X-ray diffraction, hydrogen chemisorption, and proton-induced X-ray emission elemental analysis. Catalytic hydrogenation reactions were carried out by processing distillate feedstocks both high (>100 ppm) and low (<10 ppm) in sulfur using a continuous-flow automated microreactor system. Experimental runs were performed to determine the reaction kinetics and Arrhenius parameters as a means of evaluating and comparing catalyst performance. Significant differences in catalyst activity were found. The Pt/Y-zeolite-alumina catalyst showed a much superior hydrogenation performance under conditions of high sulfur content. The extent of cracking and ring opening was also evaluated and was shown to be minimal under the operating conditions employed.

  13. High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Diphosphine Ligands Containing One Pendent Amine

    SciTech Connect (OSTI)

    Stewart, Michael P.; Ho, Ming-Hsun; Wiese, Stefan; Lindstrom, Mary L.; Thogerson, Colleen E.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L.

    2013-04-24T23:59:59.000Z

    A series of Ni-based electrocatalysts, [Ni(7PPh2NC6H4X)2](BF4)2, featuring seven-membered cyclic diphosphine ligands incorporating a single amine base, 1-para-X-phenyl-3,6-triphenyl-1-aza-3,6-diphosphacycloheptane (7PPh2NC6H4X where X = OMe, Me, Br, Cl or CF3), have been synthesized and characterized. X-ray diffraction studies have established that the [Ni(7PPh2NC6H4X)2]2+ complexes have a square planar geometry, with bonds to four phosphorus atoms of the two bidentate diphosphine ligands. Coordination of the bidentate phosphine ligands to Ni result in one six-membered ring containing a pendent amine, and one five membered ring. Each of the complexes is an efficient electrocatalyst for hydrogen production at the potential of the Ni(II/I) couple, with turnover frequencies ranging from 2,400 to 27,000 s-1 with [(DMF)H]+ in acetonitrile. Addition of water (up to 1.0 M) accelerates the catalysis, giving turnover frequencies ranging from 4,100 - 96,000 s-1. Computational studies carried out on the [Ni(7PPh2NC6H4X)2]2+ family indicate the catalytic rates reach a maximum when the electron-donating character of X results in the pKa of the pendent amine matching that of the acid used for proton delivery. Additionally, the fast catalytic rates for hydrogen production by the [Ni(7PPh2NC6H4X)2]2+ family relative to the analogous [Ni(PPh2NC6H4X2)2]2+ family are attributed to preferred formation of endo protonated isomers with respect to the metal center in the former, which is essential for the protons to attain suitable proximity to the reduced metal center to generate H2. The results of this work highlight the importance of the necessity for precise pKa matching with the acid for proton delivery to the metal center, and the mechanistic details described herein will be used to guide future catalyst design. 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. A portion of the computing resources were provided at W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.

  14. Catalytic hydrogenation and gas permeation properties of metal-containing poly(phenylene oxide) and polysulfone

    SciTech Connect (OSTI)

    Hanrong Gao; Yun Xu; Shijian Liao; Ren Liu; Daorong Yu (Chinese Academy of Sciences, Dalian (China). Dalian Inst. of Chemical Physics)

    1993-11-10T23:59:59.000Z

    Metal-containing polymers, PPL-DPP-Pd, PPO-CPA-Pd, PSF-DPP-Pd, PSF-CPA-Pd (PDD = diphenylphosphinyl, CPA = o-carboxy phenyl amino), PPO-M (M = Pd,Cu,Co,Ni), and PSF-Pd, were prepared by incorporating metal chloride with either modified or unmodified poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and polysulfone (PSF). The Pd-containing polymers exhibit catalytic activity in the hydrogenation of cyclopentadiene under mild conditions both in alcohol solution and in the gas phase. The selectivity in the hydrogenation of diene to monoene in the gas phase can be controlled by adjusting the hydrogen partial pressure. The metal-containing polymers, PPL-M and PSF-Pd, can be cast easily into the membranes. The H[sub 2]/N[sub 2] permselectivity for PPO-M is higher than that for unmodified PPO, whereas the permeability of H[sub 2] changes slightly. The H[sub 2] permeability and H[sub 2]/N[sub 2] permselectivity for the PPO-Pd membrane are up to 67.5 barrers and 135, respectively.

  15. Molecular Dynamics Simulation of Collisions between Hydrogen and Graphite

    E-Print Network [OSTI]

    A. Ito; H. Nakamura

    2006-04-26T23:59:59.000Z

    Hydrogen adsorption by graphite is examined by classical molecular dynamics simulation using a modified Brenner REBO potential. Such interactions are typical in chemical sputtering experiments, and knowledge of the fundamental behavior of hydrogen and graphene in collisional conditions is essential for modeling the sputtering mechanism. The hydrogen adsorption rate is found to be dependent on the incident hydrogen energy and not on graphene temperature. Rather than destroying the graphene, hydrogen incidence at energies of less than 100 eV can be classified into three regimes of adsorption, reflection and penetration through one or more graphene layers. Incidence at the lowest energies is shown to distort the graphene structure.

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

    DOE Patents [OSTI]

    Pence, Dallas T. (Idaho Falls, ID); Thomas, Thomas R. (Idaho Falls, ID)

    1980-01-01T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

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

    2003-09-02T23:59:59.000Z

    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.

  18. Cold flow tudy of a fluidized bed reactor for catalytic conversion of methanol to low molecular weight hydrocarbons

    E-Print Network [OSTI]

    Mehta, Shirish Ramniklal

    1982-01-01T23:59:59.000Z

    COLD FLOW STUDY OF A FLUIDIZED BED REACTOR FOR CATALYTIC CONVERSION OF METHANOL TO LOW MOLECULAR WEIGHT HYDROCAREONS A Thesis by SHIRISH RAMNIKLAL MEHTA Submitted to the Graduate College of Texas A&M University in partial fulfilment... of the requirement for the degree of MASTER OF SCIENCE March 1982 Major Subject: Chemical Engineering COLD FLOW STUDY OF A FLUIDIZED BED REACTOR FOR CATALYTIC CONVERSION OF METHANOL TO LOW MOLECULAR WEIGHT HYDROCARBON A Thesis by SHIRISH RAMNIKLAL MEHTA...

  19. Hydrogen Oxidation-Driven Hot Electron Flow Detected by Catalytic Nanodiodes

    E-Print Network [OSTI]

    Hervier, Antoine

    2011-01-01T23:59:59.000Z

    electron generation under hydrogen oxidation is proportionalincrease as the pressure of hydrogen rises. Figure 1 FigureHydrogen Oxidation-Driven Hot Electron Flow Detected by

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

    DOE Patents [OSTI]

    Voges, Mark (Leverkusen, DE); Bullock, R. Morris (Wading River, NY)

    2000-01-01T23:59:59.000Z

    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*.

  1. Molecular dynamics of gas phase hydrogen-bonded complexes

    E-Print Network [OSTI]

    Wofford, Billy Alan

    1987-01-01T23:59:59.000Z

    . These analyses have permitted the calculation of an approximate stretching harmonic force field for the hydrogen-bound heterodimer HCN---HF. In addition, a new technique is developed to determine both the ground state and equilibrium dissociation energies... OF FIGURES. CHAPTER I. INTRODUCTION. CHAPTER II. MOLECULAR DYNAMICS IN HYDROGEN-BONDED INTERACTIONS: A PRELIMINARY EXPERIMENTALLY DETERMINED HARMONIC STRETCHING FORCE FIELD FOR HCN---HF. Introduction. Experimental Calculations. 10 Discussion. 19...

  2. Primordial magnetic fields and formation of molecular hydrogen

    E-Print Network [OSTI]

    Shiv K Sethi; Biman B. Nath; Kandaswamy Subramanian

    2008-04-22T23:59:59.000Z

    We study the implications of primordial magnetic fields for the thermal and ionization history of the post-recombination era. In particular we compute the effects of dissipation of primordial magnetic fields owing to ambipolar diffusion and decaying turbulence in the intergalactic medium (IGM) and the collapsing halos and compute the effects of the altered thermal and ionization history on the formation of molecular hydrogen. We show that, for magnetic field strengths in the range $2 \\times 10^{-10} {\\rm G} \\la B_0 \\la 2 \\times 10^{-9} {\\rm G}$, the molecular hydrogen fraction in IGM and collapsing halo can increase by a factor 5 to 1000 over the case with no magnetic fields. We discuss the implication of the increased molecular hydrogen fraction on the radiative transfer of UV photons and the formation of first structures in the universe.

  3. Formation of molecular hydrogen on amorphous silicate surfaces

    E-Print Network [OSTI]

    Ling Li; Giulio Manico; Emanuele Congiu; Joe Roser; Sol Swords; Hagai B. Perets; Adina Lederhendler; Ofer Biham; John Robert Brucato; Valerio Pirronello; Gianfranco Vidali

    2007-09-16T23:59:59.000Z

    Experimental results on the formation of molecular hydrogen on amorphous silicate surfaces are presented and analyzed using a rate equation model. The energy barriers for the relevant diffusion and desorption processes are obtained. They turn out to be significantly higher than those obtained for polycrystalline silicates, demonstrating the importance of grain morphology. Using these barriers we evaluate the efficiency of molecular hydrogen formation on amorphous silicate grains under interstellar conditions. It is found that unlike polycrystalline silicates, amorphous silicate grains are efficient catalysts of H_2 formation in diffuse interstellar clouds.

  4. Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2...

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

    Hydrogen Formation from Proximal Glycol Pairs on TiO2(110). Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110). Abstract: Understanding hydrogen formation on TiO2...

  5. The Molecular Hydrogen Deficit in Gamma-Ray Burst Afterglows

    E-Print Network [OSTI]

    Daniel Whalen; Jason X. Prochaska; Alexander Heger; Jason Tumlinson

    2008-04-15T23:59:59.000Z

    Recent analysis of five gamma-ray burst (GRB) afterglow spectra reveal the absence of molecular hydrogen absorption lines, a surprising result in light of their large neutral hydrogen column densities and the detection of H$_2$ in similar, more local star-forming regions like 30 Doradus in the Large Magellanic Cloud (LMC). Observational evidence further indicates that the bulk of the neutral hydrogen column in these sight lines lies 100 pc beyond the progenitor and that H$_2$ was absent prior to the burst, suggesting that direct flux from the star, FUV background fields, or both suppressed its formation. We present one-dimensional radiation hydrodynamical models of GRB host galaxy environments, including self-consistent radiative transfer of both ionizing and Lyman-Werner photons, nine-species primordial chemistry with dust formation of H$_2$, and dust extinction of UV photons. We find that a single GRB progenitor is sufficient to ionize neutral hydrogen to distances of 50 - 100 pc but that a galactic Lyman-Werner background is required to dissociate the molecular hydrogen in the ambient ISM. Intensities of 0.1 - 100 times the Galactic mean are necessary to destroy H$_2$ in the cloud, depending on its density and metallicity. The minimum radii at which neutral hydrogen will be found in afterglow spectra is insensitive to the mass of the progenitor or the initial mass function (IMF) of its cluster, if present.

  6. Theoretical Determination of the Dissociation Energy of Molecular Hydrogen

    E-Print Network [OSTI]

    Pachucki, Krzysztof

    Physics, University of Warsaw, Hoza 69, 00-681 Warsaw, Poland Abstract The dissociation energyTheoretical Determination of the Dissociation Energy of Molecular Hydrogen Konrad Piszczatowski of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland, Center for Theoretical

  7. Closed-orbit recurrences in molecular hydrogen

    SciTech Connect (OSTI)

    Wright, J. D.; DiSciacca, J. M.; Lambert, J. M.; Morgan, T. J. [Department of Physics, Wesleyan University, Middletown, Connecticut 06459 (United States)

    2010-06-15T23:59:59.000Z

    Using scaled-energy Stark spectroscopy, we report the observation of recurrences due to closed orbits, both geometric and diffractive, in the {nu}=0, R=1, nd Rydberg series of H{sub 2} (16molecular closed-orbit theory prediction of diffractive trajectories due to inelastic scattering of the excited electron on the molecular core. We have made similar measurements in He, and a comparison between the recurrence properties of H{sub 2} and its united atom equivalent is given.

  8. Energy Efficient Catalytic Activation of Hydrogen peroxide for Green Chemical Processes: Final Report

    SciTech Connect (OSTI)

    Collins, Terrence J.; Horwitz, Colin

    2004-11-12T23:59:59.000Z

    A new, highly energy efficient approach for using catalytic oxidation chemistry in multiple fields of technology has been pursued. The new catalysts, called TAML® activators, catalyze the reactions of hydrogen peroxide and other oxidants for the exceptionally rapid decontamination of noninfectious simulants (B. atrophaeus) of anthrax spores, for the energy efficient decontamination of thiophosphate pesticides, for the facile, low temperature removal of color and organochlorines from pulp and paper mill effluent, for the bleaching of dyes from textile mill effluents, and for the removal of recalcitrant dibenzothiophene compounds from diesel and gasoline fuels. Highlights include the following: 1) A 7-log kill of Bacillus atrophaeus spores has been achieved unambiguously in water under ambient conditions within 15 minutes. 2) The rapid total degradation under ambient conditions of four thiophosphate pesticides and phosphonate degradation intermediates has been achieved on treatment with TAML/peroxide, opening up potential applications of the decontamination system for phosphonate structured chemical warfare agents, for inexpensive, easy to perform degradation of stored and aged pesticide stocks (especially in Africa and Asia), for remediation of polluted sites and water bodies, and for the destruction of chemical warfare agent stockpiles. 3) A mill trial conducted in a Pennsylvanian bleached kraft pulp mill has established that TAML catalyst injected into an alkaline peroxide bleach tower can significantly lower color from the effluent stream promising a new, more cost effective, energy-saving approach for color remediation adding further evidence of the value and diverse engineering capacity of the approach to other field trials conducted on effluent streams as they exit the bleach plant. 4) Dibenzothiophenes (DBTs), including 4,6-dimethyldibenzothiophene, the most recalcitrant sulfur compounds in diesel and gasoline, can be completely removed from model gasoline (octane or decane) at low temperature and ambient pressure via treatment with a TAML activator and hydrogen peroxide in a two-phase system consisting of the fuel as the first phase and a water/tertiary butanol second phase. The DBTs are oxidized to sulphones (or sulfoxides), which then completely extract into the water/t-butanol phase. Treatment of commercial diesel spiked with DBT under the same conditions results in compete DBT oxidation. In contrast with the octane and decane experiments, removal to the water/t-butanol phase is not yet complete and is being further optimized. Analysis by the sulfur specific GC-FPD technique suggests that >70% sulfur compounds are removed from unspiked diesel after one treatment. Further treatments are being investigated. The GC-FPD results will be checked by total sulfur analysis methodology.

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

    SciTech Connect (OSTI)

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

    2014-06-03T23:59:59.000Z

    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.

  10. Effects of dispersion and support on adsorption, catalytic and electronic properties of cobalt/alumina Co hydrogenation catalysts

    SciTech Connect (OSTI)

    Bartholomew, C.H.

    1990-09-29T23:59:59.000Z

    An investigation of the effects of surface structure, dispersion, and support on the adsorption, catalytic, and electronic properties of cobalt/alumina is described, the objectives of which were to determine (1) the effects of surface structure and metal dispersion on the adsorption and catalytic properties of cobalt and (2) the effects of direct electronic interactions between metal clusters and support, on the adsorption, catalytic and electronic properties of cobalt supported on alumina. Effects of surface structure and dispersion on the adsorption, activity/selectivity, and electronic properties of Co/W single crystal surfaces and alumina-supported cobalt were investigated in a surface investigation, lab reactor studies, TPD/TPSR studies, and a Moessbauer spectroscopy study. The structure, stability, surface electronic properties, and chemisorptive properties of vapor-deposited cobalt overlayers (0-4 ML) on W(110) and W(100) were studied by Auger electron spectroscopy, low energy electron diffraction, work function changes, and temperature programmed desorption (TPD) of cobalt, hydrogen, and carbon monoxide. The CO chemisorptive properties of the two cobalt overlayers are quite different, CO adsorption being dissociative on the W(100) surface and nondissociative on the W(110) surface; comparison of the results with those for Ni/W(100) indicate that Co/W(100) dissociates CO as a result of electronic interaction with the tungsten substrate.

  11. Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical Exchange Spectroscopy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical ExchangeVed: January 12, 2010 Hydrogen-bonded complexes between phenol and phenylacetylene are studied using ultrafast hydrogen bonding acceptor sites (phenyl or acetylene) that compete for hydrogen bond donors in solution

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

    SciTech Connect (OSTI)

    Wayland, B.B.

    2009-08-31T23:59:59.000Z

    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.

  13. A deep near-infrared survey toward the Aquila molecular cloud - I. Molecular hydrogen outflows

    E-Print Network [OSTI]

    Zhang, Miaomiao; Wang, Hongchi; Sun, Jia; Wang, Min; Jiang, Zhibo; Anathipindika, Sumedh

    2015-01-01T23:59:59.000Z

    We have performed an unbiased deep near-infrared survey toward the Aquila molecular cloud with a sky coverage of ~1 deg2. We identified 45 molecular hydrogen emission-line objects(MHOs), of which only 11 were previously known. Using the Spitzer archival data we also identified 802 young stellar objects (YSOs) in this region. Based on the morphology and the location of MHOs and YSO candidates, we associate 43 MHOs with 40 YSO candidates. The distribution of jet length shows an exponential decrease in the number of outflows with increasing length and the molecular hydrogen outflows seem to be oriented randomly. Moreover, there is no obvious correlation between jet lengths, jet opening angles, or jet H2 1-0 S(1) luminosities and spectral indices of the possible driving sources in this region. We also suggest that molecular hydrogen outflows in the Aquila molecular cloud are rather weak sources of turbulence, unlikely to generate the observed velocity dispersion in the region of survey.

  14. Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4

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

    * mechanicalelastic properties * interatomic forces phonons, ab initio molecular dynamics * combined with other theories, e.g., calculating transition temperature Systems:...

  15. Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin...

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

    Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110). Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110). Abstract:...

  16. 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 [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China) [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Wang, Feng, E-mail: wangf@mail.buct.edu.cn [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China) [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Liu, Jingjun; Ji, Jing [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China) [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Park, Ki Chul [Institute of Carbon Science and Technology (ICST), Shinshu University, 4-17-1 Wakasato, Nagano-shi, Nagano 380-8553 (Japan)] [Institute of Carbon Science and Technology (ICST), Shinshu University, 4-17-1 Wakasato, Nagano-shi, Nagano 380-8553 (Japan); Endo, Morinobu [Department of Electrical and Electronic Engineering, Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano-shi, Nagano 380-8553 (Japan)] [Department of Electrical and Electronic Engineering, Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano-shi, Nagano 380-8553 (Japan)

    2012-02-15T23:59:59.000Z

    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.

  17. Towards measuring the ionisation and dissociation energies of molecular hydrogen with

    E-Print Network [OSTI]

    Towards measuring the ionisation and dissociation energies of molecular hydrogen with sub and dissociation energies of molecular hydrogen H2 was carried out recently by measuring three intervals independently: the X / EF interval, the EF / n ¼ 54p interval, and the electron binding energy of the n ¼ 54p

  18. Molecular Dynamics Simulations of Temperature Equilibration in Dense Hydrogen

    SciTech Connect (OSTI)

    Glosli, J; Graziani, F; More, R; Murillo, M; Streitz, F; Surh, M; Benedict, L; Hau-Riege, S; Langdon, A; London, R

    2008-02-14T23:59:59.000Z

    The temperature equilibration rate in dense hydrogen (for both T{sub i} > T{sub e} and T{sub i} < T{sub e}) has been calculated with large-scale molecular dynamics simulations for temperatures between 10 and 300 eV and densities between 10{sup 20}/cc to 10{sup 24}/cc. Careful attention has been devoted to convergence of the simulations, including the role of semiclassical potentials. We find that for Coulomb logarithms L {approx}> 1, Brown-Preston-Singleton [Brown et al., Phys. Rep. 410, 237 (2005)] with the sub-leading corrections and the fit of Gericke-Murillo-Schlanges [Gericke et al., PRE 65, 036418 (2003)] to the T-matrix evaluation of the collision operator, agrees with the MD data to within the error bars of the simulation. For more strongly-coupled plasmas where L {approx}< 1, our numerical results are consistent with the fit of Gericke-Murillo-Schlanges.

  19. Field-controlled electron transfer and reaction kinetics of the biological catalytic system of microperoxidase-11 and hydrogen peroxide

    E-Print Network [OSTI]

    Choi, Yongki; Yau, Siu-Tung

    2011-01-01T23:59:59.000Z

    of microperoxidase-11 and hydrogen peroxide Yongki Choi 1,2microperoxidase-11 and hydrogen peroxide has been achievedvoltage in the presence of hydrogen perox- ide, indicating a

  20. Molecular mechanisms of hydrogen loaded B-hydroquinone clathrate

    SciTech Connect (OSTI)

    Daschbach, John L.; Chang, Tsun-Mei; Corrales, Louis R.; Dang, Liem X.; McGrail, B. Peter

    2006-09-07T23:59:59.000Z

    Molecular dynamics simulations are used to investigate the molecular interactions of hydrogen loaded beta-hydroquinone clathrate. It is found that at lower temperatures, higher loadings are more stable, whereas, at higher temperatures, lower loadings are more stable. This trend can be understood based on the interactions in the system. For loadings greater than one, the repulsive forces between the guest molecules shove each other towards the attractive forces between the guest and host molecules leading to a stabilized minimum energy configuration at low temperatures. At higher temperatures greater displacements take the system away from the shallow energy minimum and the trend reverses. The asymmetries of the clathrate cage structure are due to the presence of the attractive forces at loadings greater than one that lead to confined states. The nature of the cavity structure is nearly spherical for a loading of one, leads to preferential occupation near the hydroxyl ring crowns of the cavity with a loading of two, and at higher loadings, leads to occupation of the interstitial sites (the hydroxyl rings) between cages by a single H2 molecule with the remaining molecules occupying the equatorial plane of the cavity. At higher temperatures, the cavity is more uniformly occupied for all loadings, where the occupation of the interstitial positions of the cavities leads to facile diffusion. ACKNOWLEDGEMENT This work was partially supported by NIDO (Japan), LDRD (PNNL), EERE U.S. Department of Energy, and by OBES, U.S. DOE. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy

  1. A Computational Study of Hydrogen-bonded Molecular Crystals 

    E-Print Network [OSTI]

    Walker, Martin

    precision and often missing hydrogen atom location data. Traditionally the solution has been sought in neutron diffraction where hydrogen (deuterium) atoms scatter more intensely and so contribute more to the scattering pattern. This introduces another set...

  2. Molecular hydrogen abundances of galaxies in the EAGLE simulations

    E-Print Network [OSTI]

    Lagos, Claudia del P; Schaye, Joop; Furlong, Michelle; Frenk, Carlos S; Bower, Richard G; Schaller, Matthieu; Theuns, Tom; Trayford, James W; Bahe, Yannick M; Vecchia, Claudio Dalla

    2015-01-01T23:59:59.000Z

    We investigate the abundance of galactic molecular hydrogen (H$_2$) in the "Evolution and Assembly of GaLaxies and their Environments" (EAGLE) cosmological hydrodynamic simulations. We assign H$_2$ masses to gas particles in the simulations in post-processing using two different prescriptions that depend on the local dust-to-gas ratio and the interstellar radiation field. Both result in H$_2$ galaxy mass functions that agree well with observations in the local and high-redshift Universe. The simulations reproduce the observed scaling relations between the mass of H$_2$ and the stellar mass, star formation rate and stellar surface density. Towards high edshifts, galaxies in the simulations display larger H$_2$ mass fractions, and correspondingly lower H$_2$ depletion timescales, also in good agreement with observations. The comoving mass density of H$_2$ in units of the critical density, $\\Omega_{\\rm H_2}$, peaks at $z\\approx 1.2-1.5$, later than the predicted peak of the cosmic star formation rate activity, a...

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

    SciTech Connect (OSTI)

    Jaeggli, S. A.; Lin, H. [Institute for Astronomy, University of Hawai'i, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Uitenbroek, H. [National Solar Observatory, Sacramento Peak, P.O. Box 62, Sunspot, NM 88349 (United States)

    2012-02-01T23:59:59.000Z

    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.

  4. U.S. Department of Energy Theorty Focus Session on Hydrogen Storage...

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

    "Stochastically accelerated molecular dynamics and application to H diffusion on graphene". 10:55 - 11:20 am Mei-Yin Chou (Georgia Tech), "Catalytic effect of Ti for hydrogen...

  5. Selective Catalytic Oxidation of Hydrogen Sulfide to Elemental Sulfur from Coal-Derived Fuel Gases

    SciTech Connect (OSTI)

    Gardner, Todd H.; Berry, David A.; Lyons, K. David; Beer, Stephen K.; Monahan, Michael J.

    2001-11-06T23:59:59.000Z

    The development of low cost, highly efficient, desulfurization technology with integrated sulfur recovery remains a principle barrier issue for Vision 21 integrated gasification combined cycle (IGCC) power generation plants. In this plan, the U. S. Department of Energy will construct ultra-clean, modular, co-production IGCC power plants each with chemical products tailored to meet the demands of specific regional markets. The catalysts employed in these co-production modules, for example water-gas-shift and Fischer-Tropsch catalysts, are readily poisoned by hydrogen sulfide (H{sub 2}S), a sulfur contaminant, present in the coal-derived fuel gases. To prevent poisoning of these catalysts, the removal of H{sub 2}S down to the parts-per-billion level is necessary. Historically, research into the purification of coal-derived fuel gases has focused on dry technologies that offer the prospect of higher combined cycle efficiencies as well as improved thermal integration with co-production modules. Primarily, these concepts rely on a highly selective process separation step to remove low concentrations of H{sub 2}S present in the fuel gases and produce a concentrated stream of sulfur bearing effluent. This effluent must then undergo further processing to be converted to its final form, usually elemental sulfur. Ultimately, desulfurization of coal-derived fuel gases may cost as much as 15% of the total fixed capital investment (Chen et al., 1992). It is, therefore, desirable to develop new technology that can accomplish H{sub 2}S separation and direct conversion to elemental sulfur more efficiently and with a lower initial fixed capital investment.

  6. Solar Hydrogen Production Using Carbon Quantum Dots and a Molecular Nickel Catalyst

    E-Print Network [OSTI]

    Martindale, Benjamin C. M.; Hutton, Georgina A. M.; Caputo, Christine A.; Reisner, Erwin

    2015-04-13T23:59:59.000Z

    Solar Hydrogen Production Using Carbon Quantum Dots and a Molecular Nickel Catalyst Benjamin C. M. Martindale,† Georgina A. M. Hutton,† Christine A. Caputo, and Erwin Reisner* Christian Doppler Laboratory for Sustainable SynGas Chemistry, Department...

  7. MOLECULAR PHYSICS, 1999, VOL. 97, NO. 7, 897 905 Dynamics and hydrogen bonding in liquid ethanol

    E-Print Network [OSTI]

    Saiz, Leonor

    MOLECULAR PHYSICS, 1999, VOL. 97, NO. 7, 897± 905 Dynamics and hydrogen bonding in liquid ethanol L of liquid ethanol at three temperatures have been carried out. The hydrogen bonding states of ethanol measurements of the frequency-dependent dielectric permittivity of liquid ethanol. 1. Introduction A detailed

  8. Molecular Hydrogen from Methanol Maser Sources { Out ow from the Earliest Stage of Star Formation?

    E-Print Network [OSTI]

    Burton, Michael

    Molecular Hydrogen from Methanol Maser Sources { Out ow from the Earliest Stage of Star Formation in its natal molecular cloud. The strong methanol maser transition 5 1 { 6 0 A + at 6.7 GHz has also been that methanol maser emission usually occurs in massive star forming regions but away from the UCHII regions

  9. APPLIED GENETICS AND MOLECULAR BIOTECHNOLOGY Enhanced hydrogen production from glucose

    E-Print Network [OSTI]

    Wood, Thomas K.

    ). Most of the hydrogen now produced globally is by the process of steam reforming and the water­gas shift, the glucose glycolytic pathway to phosphoenol- pyruvate, pyruvate, acetate, ethanol, and formate via bacterial

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

    SciTech Connect (OSTI)

    Paul Liu

    2012-05-01T23:59:59.000Z

    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 â??one-boxâ? 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 reactorâ??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 â?¥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 promi

  11. Effects of dispersion and support on adsorption, catalytic and electronic properties of cobalt/alumina Co hydrogenation catalysts. Final progress report, August 1, 1987--July 31, 1990

    SciTech Connect (OSTI)

    Bartholomew, C.H.

    1990-09-29T23:59:59.000Z

    An investigation of the effects of surface structure, dispersion, and support on the adsorption, catalytic, and electronic properties of cobalt/alumina is described, the objectives of which were to determine (1) the effects of surface structure and metal dispersion on the adsorption and catalytic properties of cobalt and (2) the effects of direct electronic interactions between metal clusters and support, on the adsorption, catalytic and electronic properties of cobalt supported on alumina. Effects of surface structure and dispersion on the adsorption, activity/selectivity, and electronic properties of Co/W single crystal surfaces and alumina-supported cobalt were investigated in a surface investigation, lab reactor studies, TPD/TPSR studies, and a Moessbauer spectroscopy study. The structure, stability, surface electronic properties, and chemisorptive properties of vapor-deposited cobalt overlayers (0-4 ML) on W(110) and W(100) were studied by Auger electron spectroscopy, low energy electron diffraction, work function changes, and temperature programmed desorption (TPD) of cobalt, hydrogen, and carbon monoxide. The CO chemisorptive properties of the two cobalt overlayers are quite different, CO adsorption being dissociative on the W(100) surface and nondissociative on the W(110) surface; comparison of the results with those for Ni/W(100) indicate that Co/W(100) dissociates CO as a result of electronic interaction with the tungsten substrate.

  12. Aluminosilicates as controlled molecular environments for selective photochemical and catalytic reactions

    SciTech Connect (OSTI)

    Carrado, K.A.

    1986-01-01T23:59:59.000Z

    This dissertation concerns research that involves photochemical, catalytic and spectroscopic studies of clays, pillared clays and zeolites. Incorporation of uranyl ions into hectorite, montmorillonite, bentonite and vermiculite clays was monitored by XRD and luminescence methods. Excitation and emission characteristics were studied in order to understand the behavior of uranyl ions in clays after various thermal treatments. Luminescence lifetime measurements elucidated the number of uranyl sites. Uranyl-exchanged clays were found to absorb light at lower energies (445-455nm) than analogous uranyl-exchanged zeolites (425nm). Each uranyl-exchanged clay was tested as a catalyst for the photoassisted oxidation of isopropyl alcohol. Energy transfer (ET) between uranyl and Eu(III) ions in different zeolite framework systems was examined. The efficiency of ET (eta/sub t/) was found to be affected by the type of framework present. Pillared bentonites were examined in the hydrocracking of decane. A catalytically and spectroscopically active dopant ion, Cr(III), was introduced into the clays in both pillared and unpillared forms depending upon synthetic conditions. EPR and DRS were employed to monitor the environment of Cr(III) for determination of its location - whether in the micropore structure or associated with alumina pillars. Catalytic behavior based upon this variability of location was examined. Incorporation of Cr(III) ions into an alumina pillar was found to increase the stability and activity with respect to an alumina PILC catalyst. The results of these studies suggest that selective, efficient catalysts can be designed around inorganic ions in aluminosilicate supports.

  13. 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

    SciTech Connect (OSTI)

    Swanson, Michael; Henderson, Ann

    2012-04-01T23:59:59.000Z

    The GreatPoint Energy (GPE) concept for producing synthetic natural gas and hydrogen from coal involves the catalytic gasification of coal and carbon. GPE’s technology “refines” coal by employing a novel catalyst to “crack” the carbon bonds and transform the coal into cleanburning methane (natural gas) and hydrogen. The GPE mild “catalytic” gasifier design and operating conditions result in reactor components that are less expensive and produce pipeline-grade methane and relatively high purity hydrogen. The system operates extremely efficiently on very low cost carbon sources such as lignites, subbituminous coals, tar sands, petcoke, and petroleum residual oil. In addition, GPE’s catalytic coal gasification process eliminates troublesome ash removal and slagging problems, reduces maintenance requirements, and increases thermal efficiency, significantly reducing the size of the air separation plant (a system that alone accounts for 20% of the capital cost of most gasification systems) in the catalytic gasification process. Energy & Environmental Research Center (EERC) pilot-scale gasification facilities were used to demonstrate how coal and catalyst are fed into a fluid-bed reactor with pressurized steam and a small amount of oxygen to “fluidize” the mixture and ensure constant contact between the catalyst and the carbon particles. In this environment, the catalyst facilitates multiple chemical reactions between the carbon and the steam on the surface of the coal. These reactions generate a mixture of predominantly methane, hydrogen, and carbon dioxide. Product gases from the process are sent to a gas-cleaning system where CO{sub 2} and other contaminants are removed. In a full-scale system, catalyst would be recovered from the bottom of the gasifier and recycled back into the fluid-bed reactor. The by-products (such as sulfur, nitrogen, and CO{sub 2}) would be captured and could be sold to the chemicals and petroleum industries, resulting in near-zero hazardous air or water pollution. This technology would also be conducive to the efficient coproduction of methane and hydrogen while also generating a relatively pure CO{sub 2} stream suitable for enhanced oil recovery (EOR) or sequestration. Specific results of bench-scale testing in the 4- to 38-lb/hr range in the EERC pilot system demonstrated high methane yields approaching 15 mol%, with high hydrogen yields approaching 50%. This was compared to an existing catalytic gasification model developed by GPE for its process. Long-term operation was demonstrated on both Powder River Basin subbituminous coal and on petcoke feedstocks utilizing oxygen injection without creating significant bed agglomeration. Carbon conversion was greater than 80% while operating at temperatures less than 1400°F, even with the shorter-than-desired reactor height. Initial designs for the GPE gasification concept called for a height that could not be accommodated by the EERC pilot facility. More gas-phase residence time should allow the syngas to be converted even more to methane. Another goal of producing significant quantities of highly concentrated catalyzed char for catalyst recovery and material handling studies was also successful. A Pd–Cu membrane was also successfully tested and demonstrated to produce 2.54 lb/day of hydrogen permeate, exceeding the desired hydrogen permeate production rate of 2.0 lb/day while being tested on actual coal-derived syngas that had been cleaned with advanced warm-gas cleanup systems. The membranes did not appear to suffer any performance degradation after exposure to the cleaned, warm syngas over a nominal 100-hour test.

  14. Formation of molecular hydrogen on analogues of interstellar dust grains: experiments and modelling

    E-Print Network [OSTI]

    Gianfranco Vidali; Joe Roser; Giulio Manico; Valerio Pirronello; Hagai B. Perets; Ofer Biham

    2005-04-25T23:59:59.000Z

    Molecular hydrogen has an important role in the early stages of star formation as well as in the production of many other molecules that have been detected in the interstellar medium. In this review we show that it is now possible to study the formation of molecular hydrogen in simulated astrophysical environments. Since the formation of molecular hydrogen is believed to take place on dust grains, we show that surface science techniques such as thermal desorption and time-of-flight can be used to measure the recombination efficiency, the kinetics of reaction and the dynamics of desorption. The analysis of the experimental results using rate equations gives useful insight on the mechanisms of reaction and yields values of parameters that are used in theoretical models of interstellar cloud chemistry.

  15. Molecular cobalt pentapyridine catalysts for generating hydrogen from water

    DOE Patents [OSTI]

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

    2013-11-05T23:59:59.000Z

    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.

  16. Covalent features in the hydrogen bond of a water dimer: molecular orbital analysis

    E-Print Network [OSTI]

    Wang, Bo; Dai, Xing; Gao, Yang; Wang, Zhigang; Zhang, Rui-Qin

    2015-01-01T23:59:59.000Z

    The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs) crossing the O and H atoms of the hydrogen-bond in water dimer. Energy decomposition analysis also shows a non-negligible contribution of the induction term. These results illustrate the covalent-like character of the hydrogen bond between water molecules, which contributes to the essential understanding of ice, liquid water, related materials, and life sciences.

  17. Effective grain surface area in the formation of molecular hydrogen in interstellar clouds

    E-Print Network [OSTI]

    Sandip Kumar Chakrabarti; Ankan Das; Kinsuk Acharyya; Sonali Chakrabarti

    2008-06-28T23:59:59.000Z

    In the interstellar clouds, molecular hydrogens are formed from atomic hydrogen on grain surfaces. An atomic hydrogen hops around till it finds another one with which it combines. This necessarily implies that the average recombination time, or equivalently, the effective grain surface area depends on the relative numbers of atomic hydrogen influx rate and the number of sites on the grain. Our aim is to discover this dependency. We perform a numerical simulation to study the recombination of hydrogen on grain surfaces in a variety of cloud conditions. We use a square lattice (with a periodic boundary condition) of various sizes on two types of grains, namely, amorphous carbon and olivine. We find that the steady state results of our simulation match very well with those obtained from a simpler analytical consideration provided the `effective' grain surface area is written as $\\sim S^{\\alpha}$, where, $S$ is the actual physical grain area and $\\alpha$ is a function of the flux of atomic hydrogen which is determined from our simulation. We carry out the simulation for various astrophysically relevant accretion rates. For high accretion rates, small grains tend to become partly saturated with $H$ and $H_2$ and the subsequent accretion will be partly inhibited. For very low accretion rates, the number of sites to be swept before a molecular hydrogen can form is too large compared to the actual number of sites on the grain, implying that $\\alpha$ is greater than unity.

  18. Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Alexei Khalizov, and Renyi Zhang*

    E-Print Network [OSTI]

    Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Precursors, water, and ammonia. A central feature of the complexes is the presence of two hydrogen bonds. Organic acid-sulfuric acid complexes show one strong and one medium-strength hydrogen bond whereas

  19. A co-axially configured submillimeter spectrometer and investigations of hydrogen bound molecular complexes

    E-Print Network [OSTI]

    McElmurry, Blake Anthony

    2009-05-15T23:59:59.000Z

    covalent bond. The structure of molecular complexes such as those formed between a rare gas and a hydrogen halide, Rg:HX where Rg is a rare gas (Rg=Ne, Ar and Kr) and HX (X=F, Cl, Br and I) can be determined directly and accurately. The center of mass...

  20. Discovery of molecular hydrogen line emission associated with methanol maser emission

    E-Print Network [OSTI]

    Ashley, Michael C. B.

    Discovery of molecular hydrogen line emission associated with methanol maser emission J.-K. Lee March 9 A B S T R AC T We report the discovery of H2 line emission associated with 6.67-GHz methanol emission was found associated with an ultracompact H II region IRAS 14567­5846 and isolated methanol maser

  1. Ab Initio Description of High-Temperature Superconductivity in Dense Molecular Hydrogen P. Cudazzo,1

    E-Print Network [OSTI]

    Gross, E.K.U.

    Ab Initio Description of High-Temperature Superconductivity in Dense Molecular Hydrogen P. Cudazzo-principles study of the electron-phonon interaction and the prediction of the superconducting critical temperature superconductivity: mainly, a rich and complex Fermi surface and strongly coupled phonon modes driving the intra

  2. JET-POWERED MOLECULAR HYDROGEN EMISSION FROM RADIO GALAXIES

    E-Print Network [OSTI]

    Ogle, Patrick

    H[subscript 2] pure-rotational emission lines are detected from warm (100-1500 K) molecular gas in [17 over 55] (31% of) radio galaxies at redshift z < 0.22 observed with the Spitzer IR Spectrograph. The summed H[subscript ...

  3. Turing Water into Hydrogen Fuel

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

    Turning Water into Hydrogen Fuel Turning Water into Hydrogen Fuel New method creates highly reactive catalytic surface, packed with hydroxyl species May 15, 2012 | Tags: Franklin,...

  4. Catalysis Letters Vol. 72, No. 3-4, 2001 197 Catalytic ammonia decomposition: COx-free hydrogen production

    E-Print Network [OSTI]

    Goodman, Wayne

    , e.g., COx, formed during reforming of hydrocarbons and alcohols) makes this process an ideal source is the recent interest in the generation of clean hydrogen for fuel cells. Conventional processes such as steam applications [18­21]. We have inves- tigated step-wise steam reforming of methane/hydrocarbons as a method

  5. Molecular and Ionized Hydrogen in 30 Doradus. I. Imaging Observations

    E-Print Network [OSTI]

    Yeh, Sherry C C; Matzner, Christopher D; Pellegrini, Eric W

    2015-01-01T23:59:59.000Z

    We present the first fully calibrated H$_2$, 1-0 S(1) image of the entire 30 Doradus nebula. The observations were conducted using the NOAO Extremely Wide-Field Infrared Imager on the CTIO 4-meter Blanco Telescope. Together with a NEWFIRM Br$\\gamma$ image of 30 Doradus, our data reveal the morphologies of the warm molecular gas and ionized gas in 30 Doradus. The brightest H$_2$-emitting area, which extends from the northeast to the southwest of R136, is a photodissociation region viewed face-on, while many clumps and pillar features located at the outer shells of 30 Doradus are photodissociation regions viewed edge-on. Based on the morphologies of H$_2$, Br$\\gamma$, $^{12}$CO, and 8$\\mu$m emission, the H$_2$ to Br$\\gamma$ line ratio and Cloudy models, we find that the H$_2$ emission is formed inside the photodissociation regions of 30 Doradus, 2 - 3 pc to the ionization front of the HII region, in a relatively low-density environment $<$ 10$^4$ cm$^{-3}$. Comparisons with Br$\\gamma$, 8$\\mu$m, and CO emissi...

  6. Molecular Hydrogen Formation on Low Temperature Surfaces in Temperature Programmed Desorption Experiments

    E-Print Network [OSTI]

    G. Vidali; V. Pirronello; L. Li; J. Roser; G. Manico; R. Mehl; A. Lederhendler; H. B. Perets; J. R. Brucato; O. Biham

    2008-11-21T23:59:59.000Z

    The study of the formation of molecular hydrogen on low temperature surfaces is of interest both because it allows to explore elementary steps in the heterogeneous catalysis of a simple molecule and because of the applications in astrochemistry. Here we report results of experiments of molecular hydrogen formation on amorphous silicate surfaces using temperature-programmed desorption (TPD). In these experiments beams of H and D atoms are irradiated on the surface of an amorphous silicate sample. The desorption rate of HD molecules is monitored using a mass spectrometer during a subsequent TPD run. The results are analyzed using rate equations and the activation energies of the processes leading to molecular hydrogen formation are obtained from the TPD data. We show that a model based on a single isotope provides the correct results for the activation energies for diffusion and desorption of H atoms. These results can thus be used to evaluate the formation rate of H_2 on dust grains under the actual conditions present in interstellar clouds.

  7. Exploring kinetics and thermodynamics in fast-ion conductors and hydrogen-storage materials using ab-initio molecular dynamics

    E-Print Network [OSTI]

    Wood, Brandon C. (Brandon Christopher)

    2007-01-01T23:59:59.000Z

    We investigate the interplay between various kinetic processes and thermodynamic factors in three materials--silver iodide (AgI), cesium hydrogen sulfate (CsHSO4), and sodium alanate (NaAlH4)-using ab-initio molecular ...

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

    SciTech Connect (OSTI)

    Nagashima, Hiroki; Tokumasu, Takashi [Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi (Japan); Tsuda, Shin-ichi [Shinshu University, 77-7 Minamibori, Nagano, Nagano (Japan); Tsuboi, Nobuyuki [Kyushu Institute of Technology, 1-1 Sensui-cho, Tobata-ku, Kitakyushu, Fukuoka (Japan); Koshi, Mitsuo [Yokohama National University, 79-7 Tokiwadai, Hodogaya, Yokohama, Kanagawa (Japan); Hayashie, A. Koichi [AoyamaGakuin University, 5-10-1 Fuchinobe, Chuo-ku, Sagamihara, Kanagawa (Japan)

    2014-10-06T23:59:59.000Z

    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.

  9. Catalytic coal liquefaction process

    DOE Patents [OSTI]

    Garg, D.; Sunder, S.

    1986-12-02T23:59:59.000Z

    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.

  10. Hydrogen purification system

    DOE Patents [OSTI]

    Golben, Peter Mark

    2010-06-15T23:59:59.000Z

    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. Water dynamics: Relation between hydrogen bond bifurcations, molecular jumps, local density & hydrophobicity

    E-Print Network [OSTI]

    John Tatini Titantah; Mikko Karttunen

    2013-03-29T23:59:59.000Z

    Structure and dynamics of water remain a challenge. Resolving the properties of hydrogen bonding lies at the heart of this puzzle. Here we employ ab initio Molecular Dynamics (AIMD) simulations over a wide temperature range. The total simulation time was approx 2 ns. Both bulk water and water in the presence of a small hydrophobic molecule were simulated. We show that large-angle jumps and bond bifurcations are fundamental properties of water dynamics and that they are intimately coupled to both local density and hydrogen bond stretch oscillations in scales from about 60 to a few hundred femtoseconds: Local density differences are the driving force for bond bifurcations and the consequent large-angle jumps. The jumps are intimately connected to the recently predicted energy asymmetry. Our analysis also appears to confirm the existence of the so-called negativity track provided by the lone pairs of electrons on the oxygen atom to enable water rotation.

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

    SciTech Connect (OSTI)

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

    2013-02-07T23:59:59.000Z

    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.

  13. Metal complexes with bifunctional imidazolyl phosphines for catalytic organic transformations : applications in homogeneous and polymer supported alkene isomerization , and hydrogen deuterium exchange

    E-Print Network [OSTI]

    Erdogan, Gulin

    2012-01-01T23:59:59.000Z

    11   Figure 1.11. Alkyne hydrogen bonding in intermediatesstructure of 2.26, hydrogens and counter anion hidden forstructure of 2.27, hydrogens and counter anion hidden for

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

    SciTech Connect (OSTI)

    Feldmann, Robert [Department of Astronomy, University of California, Berkeley, CA 94720-3411 (United States); Hernandez, Jose [Illinois Mathematics and Science Academy, 1500 Sullivan Road, Aurora, IL 60506 (United States); Gnedin, Nickolay Y., E-mail: feldmann@berkeley.edu [Particle Astrophysics Center, Fermi National Accelerator Laboratory, Batavia, IL 60510 (United States)

    2012-12-20T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Ehlers, Kenneth W. (Alamo, CA); Leung, Ka-Ngo (Hercules, CA)

    1988-01-01T23:59:59.000Z

    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.

  16. Terahertz radiation by optical rectification in a hydrogen-bonded organic molecular ferroelectric crystal, 2-phenylmalondialdehyde

    E-Print Network [OSTI]

    Guan, W; Sotome, M; Kinoshita, Y; Takeda, R; Inoue, A; Horiuchi, S; Okamoto, H

    2014-01-01T23:59:59.000Z

    Terahertz radiation by optical rectification has been observed at room temperature in a hydrogen-bonded organic molecular ferroelectric crystal, 2-phenyl malondialdehyde (PhMDA). The radiated electromagnetic wave consisted of a single-cycle terahertz pulse with a temporal width of $\\sim$ 0.5 ps. The terahertz radiation amplitude divided by the sample thickness in PhMDA was nearly equivalent to that in a typical terahertz wave emitter ZnTe. This is attributable to a long coherence length in the range of 130 $\\sim$ 800 $\\mu$m for the terahertz radiation from PhMDA. We also discussed the possibility of PhMDA as a terahertz wave emitter in terms of the phase-matching condition.

  17. 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

    2011-02-14T23:59:59.000Z

    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 â?? LiAlH4 â??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 â?? 0.3 MgH2 â?? 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 â?? 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 â?? 0.3 MgH2 â?? 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 â?? LiBH4 â?? 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

  18. H2 formation on PAHs in photodissociation regions: a high-temperature pathway to molecular hydrogen

    E-Print Network [OSTI]

    Boschman, Leon; Spaans, Marco; Hoekstra, Ronnie; Schlathölter, Thomas

    2015-01-01T23:59:59.000Z

    Molecular hydrogen is the most abundant molecule in the Universe. It is thought that a large portion of H2 forms by association of hydrogen atoms to polycyclic aromatic hydrocarbons (PAHs). We model the influence of PAHs on total H2 formation rates in photodissociation regions (PDRs) and assess the effect of these formation rates on the total cloud structure. We set up a chemical kinetic model at steady state in a PDR environment and included adiative transfer to calculate the chemistry at different depths in the PDR. This model includes known dust grain chemistry for the formation of H2 and a H2 formation mechanism on PAHs. Since H2 formation on PAHs is impeded by thermal barriers, this pathway is only efficient at higher temperatures (T > 200 K). At these temperatures the conventional route of H2 formation via H atoms physisorbed on dust grains is no longer feasible, so the PAH mechanism enlarges the region where H2 formation is possible. We find that PAHs have a significant influence on the structure of PD...

  19. Practical-scale tests of cryogenic molecular sieve for separating low-concentration hydrogen isotopes from helium

    SciTech Connect (OSTI)

    Willms, R.S.; Taylor, D.J. [Los Alamos National Lab., NM (United States); Enoeda, Mikio; Okuno, Kenji [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan)

    1994-06-01T23:59:59.000Z

    Earlier bench-scale work at the Tritium Systems Test Assembly (TSTA) at Los Alamos National Laboratory examined a number of adsorbents for their suitability for separating low-concentration hydrogen (no tritium) from helium. One of the effective adsorbents was Linde 5A molecular sieve. Recently, experiments including tritium were conducted using practical-scale adsorbers. These tests used existing cryogenic molecular sieve beds (CMSB`s) which each contain about 1.6 kg of Linde 5A molecular sieve. They are part of the TSTA integrated tritium processing system. Gas was fed to each CMSB at about 13 SLPM with a nominal composition of 99% He, 0.98% H{sub 2} and 0.02% HT. In all cases, for an extended period of time, the beds allowed no detectable (via Raman spectroscopy) hydrogen isotopes to escape in the bed effluent. Thereafter, the hydrogen isotopes appeared in the bed exit with a relatively sharp breakthrough curve. This work concludes that cryogenic molecular sieve adsorption is an practical and effective means of separating low-concentration hydrogen isotopes from a helium carrier.

  20. Characteristics of molecular hydrogen and CH* radicals in a methane plasma in a magnetically enhanced capacitive RF discharge

    SciTech Connect (OSTI)

    Avtaeva, S. V.; Lapochkina, T. M. [Kyrgyz-Russian Slavic University (Kyrgyzstan)

    2007-09-15T23:59:59.000Z

    The parameters of a methane-containing plasma in an asymmetric RF capacitive discharge in an external magnetic field were studied using optical emission spectroscopy. The power deposited in the discharge was 90 W and the gas pressure and magnetic field were varied in the ranges 1-5 Pa and 50-200 G, respectively. The vibrational and rotational temperatures of hydrogen molecules and CH* radicals were measured as functions of the magnetic field and methane pressure. The ratio between the densities of atomic and molecular hydrogen was estimated. The processes responsible for the excitation of molecular hydrogen and CH* radicals in a methane-containing plasma in an RF capacitive discharge are analyzed.

  1. Effects of molecular transport on turbulence-chemistry interactions in a hydrogen-argon-air jet diffusion flame

    SciTech Connect (OSTI)

    Menon, S.; Calhoon, W.H. Jr.; Goldin, G. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Aerospace Engineering; Kerstein, A.R. [Sandia National Labs., Livermore, CA (United States)

    1994-01-01T23:59:59.000Z

    A numerical simulation of entrainment, turbulent advection, molecular import and chemical kinetics in a turbulent diffusion flame is used to investigate effects of molecular transport on turbulence-chemistry interactions. A fun finite-rate chemical mechanism is used to represent the combustion of a hydrogen-argon mixture issuing into air. Results based on incorporation of differential diffusion and variable Lewis number are compared to cases with the former effect, or both-effects, suppressed. Significant impact on radical species production and on NO emission index (based on a reduced mechanism for thermal NO) is found. A reduced mechanism for hydrogen-air combustion, omitting both effects and incorporating other simplifications, performs comparably except that its NO predictions agree well with the case of full chemistry and molecular transport, possibly due to cancellation of errors.

  2. Catalytic Distillation

    E-Print Network [OSTI]

    Smith, L. A., Jr.; Hearn, D.; Wynegar, D. P.

    1984-01-01T23:59:59.000Z

    Catalytic Distillation' refers to a chemical process which performs both a catalyzed reaction and primary fractionation of the reaction components simultaneously. A structured catalyst which also is an effective distillation component has been...

  3. Practical-scale tests of cryogenic molecular sieve for separating low-concentration hydrogen isotopes from helium

    SciTech Connect (OSTI)

    Willms, R.S.; Taylor, D.J. [Los Alamos National Lab., NM (United States); Enoeda, M. [Japan Atomic Energy Research Inst., Ibaraki-ken (Japan)] [and others

    1994-12-31T23:59:59.000Z

    There are a number of cases in fusion fuel processing where low-concentration hydrogen isotopes need to be separated from helium. Usually the helium is a purge gas used to move hydrogen isotopes from one location to another. One of the most notable applications is associated with removing tritium from a solid ceramic breeder. For some designs which have been considered, helium with about 1 % protium is purged through the ceramic. The protium exchanges with tritium which has been bred in the solid. The resulting gas composed of helium ({approximately}99%), protium ({approximately}1%) and tritium ({approximately}0.01%) flows out of the blanket and, for further processing, requires separation of the hydrogen isotopes and the helium. Earlier bench-scale (about 50 cc of sieve) work at the Tritium Systems Test Assembly (TSTA) at Los Alamos National Laboratory examined a number of adsorbents for their suitability for separating low-concentration hydrogen (no tritium) from helium. One of the effective adsorbents was Linde 5A molecular sieve. The purpose of this paper is to report practical-scale experiments including tritium. These tests used existing cryogenic molecular sieve beds (MSB`S) which each contain about 1.6 kg of Linde 5A molecular sieve.

  4. Molecular Hydrogen Emission from Protoplanetary Disks II. Effects of X-ray Irradiation and Dust Evolution

    E-Print Network [OSTI]

    Nomura, H; Tsujimoto, M; Nakagawa, Y; Millar, T J

    2007-01-01T23:59:59.000Z

    Detailed models for the density and temperature profiles of gas and dust in protoplanetary disks are constructed by taking into account X-ray and ultraviolet (UV) irradiation from a central T Tauri star, as well as dust size growth and settling toward the disk midplane. The spatial and size distributions of dust grains in the disks are numerically computed by solving the coagulation equation for settling dust particles. The level populations and line emission of molecular hydrogen are calculated using the derived physical structure of the disks. X-ray irradiation is the dominant heating source of the gas in the inner disk region and in the surface layer, while the far UV heating dominates otherwise. If the central star has strong X-ray and weak UV radiation, the H2 level populations are controlled by X-ray pumping, and the X-ray induced transition lines could be observable. If the UV irradiation is strong, the level populations are controlled by thermal collisions or UV pumping, depending on the properties of...

  5. Investigation of the effect of intra-molecular interactions on the gas-phase conformation of peptides as probed by ion mobility-mass spectrometry, gas-phase hydrogen/deuterium exchange, and molecular mechanics 

    E-Print Network [OSTI]

    Sawyer, Holly Ann

    2006-04-12T23:59:59.000Z

    Ion mobility-mass spectrometry (IM-MS), gas-phase hydrogen/deuterium (H/D) exchange ion molecule reactions and molecular modeling provide complimentary information and are used here for the characterization of peptide ion structure, including fine...

  6. Investigation of the effect of intra-molecular interactions on the gas-phase conformation of peptides as probed by ion mobility-mass spectrometry, gas-phase hydrogen/deuterium exchange, and molecular mechanics

    E-Print Network [OSTI]

    Sawyer, Holly Ann

    2006-04-12T23:59:59.000Z

    Ion mobility-mass spectrometry (IM-MS), gas-phase hydrogen/deuterium (H/D) exchange ion molecule reactions and molecular modeling provide complimentary information and are used here for the characterization of peptide ion structure, including fine...

  7. Molecular Hydrogen Emission from Protoplanetary Disks II. Effects of X-ray Irradiation and Dust Evolution

    E-Print Network [OSTI]

    H. Nomura; Y. Aikawa; M. Tsujimoto; Y. Nakagawa; T. J. Millar

    2007-02-01T23:59:59.000Z

    Detailed models for the density and temperature profiles of gas and dust in protoplanetary disks are constructed by taking into account X-ray and ultraviolet (UV) irradiation from a central T Tauri star, as well as dust size growth and settling toward the disk midplane. The spatial and size distributions of dust grains in the disks are numerically computed by solving the coagulation equation for settling dust particles. The level populations and line emission of molecular hydrogen are calculated using the derived physical structure of the disks. X-ray irradiation is the dominant heating source of the gas in the inner disk region and in the surface layer, while the far UV heating dominates otherwise. If the central star has strong X-ray and weak UV radiation, the H2 level populations are controlled by X-ray pumping, and the X-ray induced transition lines could be observable. If the UV irradiation is strong, the level populations are controlled by thermal collisions or UV pumping, depending on the properties of the dust grains in the disks. As the dust particles evolve in the disks, the gas temperature at the disk surface drops because the grain photoelectric heating becomes less efficient, while the UV radiation fields become stronger due to the decrease of grain opacity. This makes the H2 level populations change from local thermodynamic equilibrium (LTE) to non-LTE distributions, which results in changes to the line ratios of H2 emission. Our results suggest that dust evolution in protoplanetary disks could be observable through the H2 line ratios. The emission lines are strong from disks irradiated by strong UV and X-rays and possessing small dust grains; such disks will be good targets in which to observe H2 emission.

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

    SciTech Connect (OSTI)

    Borysow, Jacek, E-mail: jborysow@mtu.edu; Rosso, Leonardo del; Celli, Milva; Ulivi, Lorenzo, E-mail: lorenzo.ulivi@isc.cnr.it [Consiglio Nazionale delle Ricerche, Istituto dei Sistemi Complessi, Via Madonna del piano 10, I-50019 Sesto Fiorentino (Italy)] [Consiglio Nazionale delle Ricerche, Istituto dei Sistemi Complessi, Via Madonna del piano 10, I-50019 Sesto Fiorentino (Italy); Moraldi, Massimo [Dipartimento di Fisica e Astronomia, Università degli Studi di Firenze, Via Sansone 1, I-50019 Sesto Fiorentino (Italy)] [Dipartimento di Fisica e Astronomia, Università degli Studi di Firenze, Via Sansone 1, I-50019 Sesto Fiorentino (Italy)

    2014-04-28T23:59:59.000Z

    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.

  9. 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. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, NL-5600 MB Eindhoven (Netherlands)

    2011-03-15T23:59:59.000Z

    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.

  10. HYDROGEN IN GERMANIUM

    E-Print Network [OSTI]

    Haller, E.E.

    2011-01-01T23:59:59.000Z

    •^f-1? c^4--^ LBL-7996 HYDROGEN IN GERMANIUM E. E. HallerW-7405-ENG-48 LBL-7996 HYDROGEN IN GERMANIUM* E. E. Haller48. LBL-7996 Abstract Hydrogen is shown to form molecular

  11. 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. [Department of Physics, Atomic and Molecular Physics Laboratory, University of Ioannina, University Campus, Ioannina GR-45110 (Greece)

    2014-09-14T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Alan C. Cooper

    2012-05-03T23:59:59.000Z

    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.

  13. Molecular simulation studies of metal organic frameworks focusing on hydrogen purification 

    E-Print Network [OSTI]

    Banu, Ana Maria

    2014-06-30T23:59:59.000Z

    The process of purifying hydrogen gas using pressure swing adsorption columns heavily relies on highly efficient adsorbents. Such materials must be able to selectively adsorb a large amount of impurities, and must also ...

  14. CATALYTIC BIOMASS LIQUEFACTION

    E-Print Network [OSTI]

    Ergun, Sabri

    2013-01-01T23:59:59.000Z

    LBL-11 019 UC-61 CATALYTIC BIOMASS LIQUEFACTION Sabri Ergun,Catalytic Liquefaction of Biomass,n M, Seth, R. Djafar, G.of California. CATALYTIC BIOMASS LIQUEFACTION QUARTERLY

  15. Simultaneous photon absorption as a probe of molecular interaction and hydrogen-bond correlation in liquids

    E-Print Network [OSTI]

    Sander Woutersen

    2007-03-06T23:59:59.000Z

    We have investigated the simultaneous absorption of near-infrared photons by pairs of neighboring molecules in liquid methanol. Simultaneous absorption by two OH-stretching modes is found to occur at an energy higher than the sum of the two absorbing modes. This frequency shift arises from interaction between the modes, and its value has been used to determine the average coupling between neighboring methanol molecules. We find a rms coupling strength of 46+/-1 cm-1, much larger than can be explained from transition-dipole coupling, suggesting that hydrogen-bond mediated interactions between neighboring molecules play an important role in liquid methanol. The most important aspect of simultaneous vibrational absorption is that it allows for a quantitative investigation of hydrogen-bond cooperativity. We derive the extent to which the hydrogen-bond strengths of neighboring molecules are correlated by comparing the line shape of the absorption band caused by simultaneous absorption with that of the fundamental transition. Surprisingly, neighboring hydrogen bonds in methanol are found to be strongly correlated, and from the data we obtain a hydrogen-bond correlation coefficient of 0.69+/-0.12.

  16. Catalytic hydrodesulfurization of bitumen

    SciTech Connect (OSTI)

    Sharma, R.K.; Olson, E.S. [Univ. of North Dakota, Grand Forks, ND (United States)

    1995-12-31T23:59:59.000Z

    Investigations of the catalytic hydrodesulfurization of Venezuela bitumen and its water-emulsion (Orimulsion) were carried out. A variety of catalysts were prepared and some impregnated with molybdenum and sulfided. These and two commercial catalysts were tested with Orimulsion, vacuum-dried Orimulsion, and pentane-insoluble and soluble Orimulsion. Hydrotreatment of feed material was done in a 15-mL tube reactor using a variety of catalysts at 390{degrees}C under an initial 1000-psi hydrogen pressure with a reaction time of 1-3 hours. The hydrotreated products were analyzed by total sulfur analysis. Catalytic hydrotreatment removed up to 75% of sulfur from the bitumen. Nickel and/or molybdenum impregnation on various supports promoted sulfur removal from Orimulsion. Hydrodesulfurization was found to be affected by reaction temperature, reaction time, catalyst, and feed material. A moisture-free bitumen and a pentane-soluble bitumen fraction were desulfurized more effectively than Orimulsion. Zeolite-based catalysts gave higher desulfurization than synthetic clay catalysts or commercial AMOCAT and HDN catalysts.

  17. Catalytic Coherence

    E-Print Network [OSTI]

    Johan Aberg

    2014-10-20T23:59:59.000Z

    Due to conservation of energy we cannot directly turn a quantum system with a definite energy into a superposition of different energies. However, if we have access to an additional resource in terms of a system with a high degree of coherence, as for standard models of laser light, we can overcome this limitation. The question is to what extent coherence gets degraded when utilized. Here it is shown that coherence can be turned into a catalyst, meaning that we can use it repeatedly without ever diminishing its power to enable coherent operations. This finding stands in contrast to the degradation of other quantum resources, and has direct consequences for quantum thermodynamics, as it shows that latent energy that may be locked into superpositions of energy eigenstates can be released catalytically.

  18. Catalytic reactor

    DOE Patents [OSTI]

    Aaron, Timothy Mark (East Amherst, NY); Shah, Minish Mahendra (East Amherst, NY); Jibb, Richard John (Amherst, NY)

    2009-03-10T23:59:59.000Z

    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.

  19. Surface Segregation in a PdCu Alloy Hydrogen Separation Membrane

    SciTech Connect (OSTI)

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

    2007-06-01T23:59:59.000Z

    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 palladium’s 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 membrane’s structural characteristics and resistance to poisoning of its catalytic surface [1]. Surface segregation—a composition difference between the bulk material and its surface—is 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.

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

    DOE Patents [OSTI]

    Nizamoff, Alan J. (Convent Station, NJ)

    1980-01-01T23:59:59.000Z

    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.

  1. Formation of negative hydrogen ions in 7-keV OH+ + Ar and OH+ + acetone collisions: a general process for H-bearing molecular species

    E-Print Network [OSTI]

    Juhász, Zoltán; Rangama, Jimmy; Bene, Erika; Sorgunlu-Frankland, Burcu; Frémont, François; Chesnel, Jean-Yves

    2015-01-01T23:59:59.000Z

    We demonstrate that the formation of negative hydrogen ions (H-) occurs in a wide class of atomic and molecular collisions. In our experiments, H- emission from hydroxyl cations and acetone molecules was observed in keV-energy collisions. We show that hydride (H-) anions are formed via direct collisional fragmentation of molecules, followed by electron grabbing by fast hydrogen fragments. Such general mechanism in hydrogen-containing molecules may significantly influence reaction networks in planetary atmospheres and astrophysical media and new reaction pathways may have to be added in radiolysis studies.

  2. International Journal of Mass Spectrometry 248 (2006) 18 Molecular hydrogen ion elimination from alkyl iodides

    E-Print Network [OSTI]

    Strathclyde, University of

    reported on many occasions [1­7]. Recently, we have studied the ionization/dissociation pro- cesses of some 26510 98695. E-mail address: kkosmid@cc.uoi.gr (C. Kosmidis). ethane, propane, etc.) has been studied of propane, Tonokura et al. [13] have shown that the atomic hydrogen elim- ination channel exhibits a site

  3. Dynamic viscosity estimation of hydrogen sulfide using a predictive scheme based on molecular dynamics.

    E-Print Network [OSTI]

    Boyer, Edmond

    natural gases containing hydrogen sulfide H2S and/or carbon dioxide CO2) are often encountered properties are very scarce because of the very high toxicity of H2S which leads to very complicated safety procedures for the experimentalists. This is especially true for the high pressures and temperatures

  4. 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 [Department of Astrophysics, American Museum of Natural History, Central Park West at 79th Street, New York, NY 10024 (United States); Glover, Simon C. O., E-mail: mordecai@amnh.org, E-mail: glover@uni-heidelberg.de [Zentrum der Astrophysik der Universitaet Heidelberg, Institut fuer Theoretische Astrophysik, Albert-Ueberle-Strasse 2, 69120 Heidelberg (Germany)

    2012-02-20T23:59:59.000Z

    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.

  5. POLYCYCLIC AROMATIC HYDROCARBONS, IONIZED GAS, AND MOLECULAR HYDROGEN IN BRIGHTEST CLUSTER GALAXIES OF COOL-CORE CLUSTERS OF GALAXIES

    SciTech Connect (OSTI)

    Donahue, Megan; Mark Voit, G.; Hoffer, Aaron [Physics and Astronomy Department, Michigan State University, East Lansing, MI 48824 (United States); De Messieres, Genevieve E.; O'Connell, Robert W. [Astronomy Department, University of Virginia, Charlottesville, VA (United States); McNamara, Brian R. [Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, ON N2L 3G1 (Canada); Nulsen, Paul E. J., E-mail: donahue@pa.msu.edu, E-mail: voit@pa.msu.edu, E-mail: hofferaa@msu.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2011-05-01T23:59:59.000Z

    We present measurements of 5-25 {mu}m emission features of brightest cluster galaxies (BCGs) with strong optical emission lines in a sample of nine cool-core clusters of galaxies observed with the Infrared Spectrograph on board the Spitzer Space Telescope. These systems provide a view of dusty molecular gas and star formation, surrounded by dense, X-ray-emitting intracluster gas. Past work has shown that BCGs in cool-core clusters may host powerful radio sources, luminous optical emission-line systems, and excess UV, while BCGs in other clusters never show this activity. In this sample, we detect polycyclic aromatic hydrocarbons (PAHs), extremely luminous, rotationally excited molecular hydrogen line emission, forbidden line emission from ionized gas ([Ne II] and [Ne III]), and infrared continuum emission from warm dust and cool stars. We show here that these BCGs exhibit more luminous forbidden neon and H{sub 2} rotational line emission than star-forming galaxies with similar total infrared luminosities, as well as somewhat higher ratios of 70 {mu}m/24 {mu}m luminosities. Our analysis suggests that while star formation processes dominate the heating of the dust and PAHs, a heating process consistent with suprathermal electron heating from the hot gas, distinct from star formation, is heating the molecular gas and contributing to the heating of the ionized gas in the galaxies. The survival of PAHs and dust suggests that dusty gas is somehow shielded from significant interaction with the X-ray gas.

  6. Vibrational and Theoretical Investigations of Molecular Conformations and Intramolecular pi-Type Hydrogen Bonding

    E-Print Network [OSTI]

    Ocola, Esther

    2012-02-14T23:59:59.000Z

    The molecular conformations, potential energy functions and vibrational spectra of several cyclic molecules have been investigated by ab initio and density functional theory calculations and by infrared and Raman spectroscopy. The ab initio...

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

    E-Print Network [OSTI]

    Novikov, S. V.

    2011-01-01T23:59:59.000Z

    photoanode applications in hydrogen production S. V.of sunlight into hydrogen by pho- toelectrochemical ͑PEC͒is crucial for efficient hydrogen production using the PEC

  8. pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts

    SciTech Connect (OSTI)

    Horvath, Samantha; Fernandez, Laura; Appel, Aaron M.; Hammes-Schiffer, Sharon

    2013-04-01T23:59:59.000Z

    The nickel-based Ph Bz 2 2 P N electrocatalysts, which are comprised of a nickel atom and two 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane ligands, have been shown to effectively catalyze H2 production in acetonitrile. Recent electrochemical experiments revealed a linear dependence of the NiII/I reduction potential on pH, suggesting a proton-coupled electron transfer (PCET) reaction. In the proposed mechanism, the catalytic cycle begins with a PCET process involving electrochemical electron transfer to the nickel center and intermolecular proton transfer from an acid to the pendant amine ligand. This paper presents quantum mechanical calculations of this PCET process to examine the thermodynamics of the sequential mechanisms, in which either the electron or the proton transfers first (ET–PT and PT–ET, respectively), and the concerted mechanism (EPT). The favored mechanism depends on a balance among many factors, including the acid strength, association free energy for the acid–catalyst complex, PT free energy barrier, and ET reduction potential. The ET reduction potential is less negative after PT, favoring the PT–ET mechanism, and the association free energy is less positive after reduction, favoring the ET–PT mechanism. The calculations, along with analysis of the experimental data, indicate that the sequential ET–PT mechanism is favored for weak acids because of the substantial decrease in the association free energy after reduction. For strong acids, however, the PT–ET mechanism may be favored because the association free energy is somewhat smaller and PT is more thermodynamically favorable. The concerted mechanism could also occur, particularly for intermediate acid strengths. In the context of the entire catalytic cycle for H2 production, the initial PCET process involving intermolecular PT has a more negative reduction potential than the subsequent PCET process involving intramolecular PT. As a result, the second PCET should occur spontaneously, which is consistent with cyclic voltammogram experiments. 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. Transparent and Catalytic Carbon Nanotube Films

    E-Print Network [OSTI]

    Hone, James

    for the dye-sensitized solar cell. Other possible applications include batteries, fuel cells and intercalation in hydrogen fuel cells and lithium ion batteries.1,10,12,14 However, the electrochemical activity to optimize performance through processing. In this study, we quantify the catalytic activity of single

  10. Simultaneous probing of bulk liquid phase and catalytic gas-liquid-solid interface under working conditions using attenuated total reflection infrared spectroscopy

    SciTech Connect (OSTI)

    Meemken, Fabian; Müller, Philipp; Hungerbühler, Konrad; Baiker, Alfons, E-mail: baiker@chem.ethz.ch [Department of Chemistry and Applied Biosciences, Institute for Chemical and Bioengineering, ETH Zürich, Hönggerberg, HCI, CH-8093 Zürich (Switzerland)

    2014-08-15T23:59:59.000Z

    Design and performance of a reactor set-up for attenuated total reflection infrared (ATR-IR) spectroscopy suitable for simultaneous reaction monitoring of bulk liquid and catalytic solid-liquid-gas interfaces under working conditions are presented. As advancement of in situ spectroscopy an operando methodology for gas-liquid-solid reaction monitoring was developed that simultaneously combines catalytic activity and molecular level detection at the catalytically active site of the same sample. Semi-batch reactor conditions are achieved with the analytical set-up by implementing the ATR-IR flow-through cell in a recycle reactor system and integrating a specifically designed gas feeding system coupled with a bubble trap. By the use of only one spectrometer the design of the new ATR-IR reactor cell allows for simultaneous detection of the bulk liquid and the catalytic interface during the working reaction. Holding two internal reflection elements (IRE) the sample compartments of the horizontally movable cell are consecutively flushed with reaction solution and pneumatically actuated, rapid switching of the cell (<1 s) enables to quasi simultaneously follow the heterogeneously catalysed reaction at the catalytic interface on a catalyst-coated IRE and in the bulk liquid on a blank IRE. For a complex heterogeneous reaction, the asymmetric hydrogenation of 2,2,2-trifluoroacetophenone on chirally modified Pt catalyst the elucidation of catalytic activity/enantioselectivity coupled with simultaneous monitoring of the catalytic solid-liquid-gas interface is shown. Both catalytic activity and enantioselectivity are strongly dependent on the experimental conditions. The opportunity to gain improved understanding by coupling measurements of catalytic performance and spectroscopic detection is presented. In addition, the applicability of modulation excitation spectroscopy and phase-sensitive detection are demonstrated.

  11. Monte Carlo simulation to investigate the formation of molecular hydrogen and its deuterated forms

    E-Print Network [OSTI]

    Sahu, DIpen; Majumdar, Liton; Chakrabarti, Sandip K

    2015-01-01T23:59:59.000Z

    $H_2$ is the most abundant interstellar species. Its deuterated forms ($HD$ and $D_2$) are also significantly abundant. Huge abundances of these molecules could be explained by considering the chemistry occurring on the interstellar dust. Because of its simplicity, Rate equation method is widely used to study the formation of grain-surface species. However, since recombination efficiency of formation of any surface species are heavily dependent on various physical and chemical parameters, Monte Carlo method would be best method suited to take care of randomness of the processes. We perform Monte Carlo simulation to study the formation of $H_2$, $HD$ and $D_2$ on interstellar ices. Adsorption energies of surface species are the key inputs for the formation of any species on interstellar dusts but binding energies of deuterated species are yet to known with certainty. A zero point energy correction exists between hydrogenated and deuterated species which should be considered while modeling the chemistry on the ...

  12. Hydrogen Permeation Barrier Coatings

    SciTech Connect (OSTI)

    Henager, Charles H.

    2008-01-01T23:59:59.000Z

    Gaseous hydrogen, H2, has many physical properties that allow it to move rapidly into and through materials, which causes problems in keeping hydrogen from materials that are sensitive to hydrogen-induced degradation. Hydrogen molecules are the smallest diatomic molecules, with a molecular radius of about 37 x 10-12 m and the hydrogen atom is smaller still. Since it is small and light it is easily transported within materials by diffusion processes. The process of hydrogen entering and transporting through a materials is generally known as permeation and this section reviews the development of hydrogen permeation barriers and barrier coatings for the upcoming hydrogen economy.

  13. CATALYTIC LIQUEFACTION OF BIOMASS

    E-Print Network [OSTI]

    Seth, Manu

    2012-01-01T23:59:59.000Z

    liquid Fuels from Biomass: "Catalyst Screening and KineticUC-61 (l, RCO osn CDL or BIOMASS CATALYTIC LIQUEFACTION ManuCATALYTIC LIQUEFACTION OF BIOMASS Manu Seth, Roger Djafar,

  14. CATALYTIC BIOMASS LIQUEFACTION

    E-Print Network [OSTI]

    Ergun, Sabri

    2013-01-01T23:59:59.000Z

    Solvent Systems Catalystic Biomass Liquefaction Investigatereactor Product collection Biomass liquefaction process12-13, 1980 CATALYTIC BIOMASS LIQUEFACTION Sabri Ergun,

  15. ON THE FORMATION OF INTERSTELLAR WATER ICE: CONSTRAINTS FROM A SEARCH FOR HYDROGEN PEROXIDE ICE IN MOLECULAR CLOUDS

    SciTech Connect (OSTI)

    Smith, R. G.; Wright, C. M.; Robinson, G. [School of Physical, Environmental and Mathematical Sciences, University of New South Wales, Australian Defence Force Academy, Canberra, ACT 2600 (Australia); Charnley, S. B. [Astrochemistry Laboratory, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Pendleton, Y. J. [NASA Lunar Science Institute, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Maldoni, M. M., E-mail: r.smith@adfa.edu.au, E-mail: c.wright@adfa.edu.au, E-mail: g.robinson@adfa.edu.au, E-mail: Steven.B.Charnley@nasa.gov, E-mail: yvonne.pendleton@nasa.gov [Geoscience Australia, Canberra, ACT 2601 (Australia)

    2011-12-20T23:59:59.000Z

    Recent surface chemistry experiments have shown that the hydrogenation of molecular oxygen on interstellar dust grains is a plausible formation mechanism, via hydrogen peroxide (H{sub 2}O{sub 2}), for the production of water (H{sub 2}O) ice mantles in the dense interstellar medium. Theoretical chemistry models also predict the formation of a significant abundance of H{sub 2}O{sub 2} ice in grain mantles by this route. At their upper limits, the predicted and experimental abundances are sufficiently high that H{sub 2}O{sub 2} should be detectable in molecular cloud ice spectra. To investigate this further, laboratory spectra have been obtained for H{sub 2}O{sub 2}/H{sub 2}O ice films between 2.5 and 200 {mu}m, from 10 to 180 K, containing 3%, 30%, and 97% H{sub 2}O{sub 2} ice. Integrated absorbances for all the absorption features in low-temperature H{sub 2}O{sub 2} ice have been derived from these spectra. For identifying H{sub 2}O{sub 2} ice, the key results are the presence of unique features near 3.5, 7.0, and 11.3 {mu}m. Comparing the laboratory spectra with the spectra of a group of 24 protostars and field stars, all of which have strong H{sub 2}O ice absorption bands, no absorption features are found that can definitely be identified with H{sub 2}O{sub 2} ice. In the absence of definite H{sub 2}O{sub 2} features, the H{sub 2}O{sub 2} abundance is constrained by its possible contribution to the weak absorption feature near 3.47 {mu}m found on the long-wavelength wing of the 3 {mu}m H{sub 2}O ice band. This gives an average upper limit for H{sub 2}O{sub 2}, as a percentage of H{sub 2}O, of 9% {+-} 4%. This is a strong constraint on parameters for surface chemistry experiments and dense cloud chemistry models.

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

    SciTech Connect (OSTI)

    Somorjai, G.A.

    2009-09-14T23:59:59.000Z

    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.

  17. Genetics and Molecular Biology of Hydrogen Metabolism in Sulfate-Reducing Bacteria

    SciTech Connect (OSTI)

    Wall, Judy D. [University of Missouri-Columbia

    2014-12-23T23:59:59.000Z

    The degradation of our environment and the depletion of fossil fuels make the exploration of alternative fuels evermore imperative. Among the alternatives is biohydrogen which has high energy content by weight and produces only water when combusted. Considerable effort is being expended to develop photosynthetic systems -- algae, cyanobacteria, and anaerobic phototrophs -- for sustainable H2 production. While promising, this approach also has hurdles such as the harvesting of light in densely pigmented cultures that requires costly constant mixing and large areas for exposure to sunlight. Little attention is given to fermentative H2 generation. Thus understanding the microbial pathways to H2 evolution and metabolic processes competing for electrons is an essential foundation that may expand the variety of fuels that can be generated or provide alternative substrates for fine chemical production. We studied a widely found soil anaerobe of the class Deltaproteobacteria, a sulfate-reducing bacterium to determine the electron pathways used during the oxidation of substrates and the potential for hydrogen production.

  18. "Seeing" hydrogen atoms to unveil enzyme catalysis | ornl.gov

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

    "Seeing" hydrogen atoms to unveil enzyme catalysis Image shows nuclear density maps in the active site of DHFR where the catalytic group Asp27 and substrate folate have...

  19. Dynamical Formation of the Dark Molecular Hydrogen Clouds around Diffuse HII Regions

    E-Print Network [OSTI]

    Takashi Hosokawa; Shu-ichiro Inutsuka

    2007-04-05T23:59:59.000Z

    We examine the triggering process of molecular cloud formation around diffuse HII regions. We calculate the time evolution of the shell as well as of the HII region in a two-phase neutral medium, solving the UV and FUV radiative transfer, the thermal and chemical processes in the time-dependent hydrodynamics code. In the cold neutral medium, the ambient gas is swept up in the cold (T \\sim 30-40K) and dense (n \\sim 10^3 cm^-3) shell around the HII region. In the shell, H_2 molecules are formed from the swept-up HI gas, but CO molecules are hardly formed. The reformation of H_2 molecules is more efficient with a higher-mass central star. The physical and chemical properties of gas in the shell are just intermediate between those of the neutral medium and molecular clouds observed by the CO emission. The dense shell with cold HI/H_2 gas easily becomes gravitationally unstable, and breaks up into small clouds. The cooling layer just behind the shock front also suffers from thermal instability, and will fragment into cloudlets with some translational motions. We suggest that the predicted cold ``dark'' HI/H_2 gas should be detected as the HI self-absorption (HISA) feature. We have sought such features in recent observational data, and found shell-like HISA features around the giant HII regions, W4 and W5. The shell-like HISA feature shows good spatial correlation with dust emission, but poor correlation with CO emission. Our quantitative analysis shows that the HISA cloud can be as cold as T \\sim a few x 10K. (abridged)

  20. HYDROGEN AND DEUTERIUM NMR OF SOLIDS BY MAGIC ANGLE SPINNING

    E-Print Network [OSTI]

    Eckman, R.R.

    2010-01-01T23:59:59.000Z

    Reduced H~S for Hydrogen ••..•. Observation ofb. Dilution of Hydrogen: Appraoch to High Resolution ProtonMolecular Research ,Division HYDROGEN AND DEUTERIUM NMR OF

  1. Analysis of hydrogen isotope mixtures

    DOE Patents [OSTI]

    Villa-Aleman, Eliel (Aiken, SC)

    1994-01-01T23:59:59.000Z

    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.

  2. Molecular oxygen adsorbates at a Au/Ni(111) surface alloy and their role in catalytic CO oxidation at 70 - 250 K

    E-Print Network [OSTI]

    Lahr, David Louis

    2006-01-01T23:59:59.000Z

    Oxygen is observed to adsorb molecularly on 0.13 - 0.27 ML Au/Ni(1 111) surface alloys at 77 K, in stark contrast to dissociative adsorption on Ni and no adsorption on Au surfaces. Molecular 02 adsorbates on the Au/Ni(111) ...

  3. Catalytic studies of supported Pd-Au catalysts 

    E-Print Network [OSTI]

    Boopalachandran, Praveenkumar

    2006-08-16T23:59:59.000Z

    Although Pd-Au high-surface area catalysts are used in industry to improve activity and selectivity, a thorough understanding of the nature of these enhancements is lacking. A molecular-level understanding of catalytic ...

  4. 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

    2010-01-01T23:59:59.000Z

    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.

  5. Rich catalytic injection

    DOE Patents [OSTI]

    Veninger, Albert (Coventry, CT)

    2008-12-30T23:59:59.000Z

    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.

  6. Hydrogen and sulfur recovery from hydrogen sulfide wastes

    DOE Patents [OSTI]

    Harkness, John B. L. (Naperville, IL); Gorski, Anthony J. (Woodridge, IL); Daniels, Edward J. (Oak Lawn, IL)

    1993-01-01T23:59:59.000Z

    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.

  7. Hydrogen and sulfur recovery from hydrogen sulfide wastes

    DOE Patents [OSTI]

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

    1993-05-18T23:59:59.000Z

    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.

  8. Near-Infrared Spectroscopy of Molecular Hydrogen Emission in Four Reflection Nebulae: NGC 1333, NGC 2023, NGC 2068, and NGC 7023

    E-Print Network [OSTI]

    Paul Martini; K. Sellgren; D. L. DePoy

    1999-05-05T23:59:59.000Z

    We present near-infrared spectroscopy of fluorescent molecular hydrogen (H_2) emission from NGC 1333, NGC 2023, NGC 2068, and NGC 7023 and derive the physical properties of the molecular material in these reflection nebulae. Our observations of NGC 2023 and NGC 7023 and the physical parameters we derive for these nebulae are in good agreement with previous studies. Both NGC 1333 and NGC 2068 have no previously-published analysis of near-infrared spectra. Our study reveals that the rotational-vibrational states of molecular hydrogen in NGC 1333 are populated quite differently from NGC 2023 and NGC 7023. We determine that the relatively weak UV field illuminating NGC 1333 is the primary cause of the difference. Further, we find that the density of the emitting material in NGC 1333 is of much lower density, with n ~ 10^2 - 10^4 cm^-3. NGC 2068 has molecular hydrogen line ratios more similar to those of NGC 7023 and NGC 2023. Our model fits to this nebula show that the bright, H_2-emitting material may have a density as high as n ~ 10^5 cm^-3, similar to what we find for NGC 2023 and NGC 7023. Our spectra of NGC 2023 and NGC 7023 show significant changes in both the near-infrared continuum and H_2 intensity along the slit and offsets between the peaks of the H_2 and continuum emission. We find that these brightness changes may correspond to real changes in the density and temperatures of the emitting region, although uncertainties in the total column of emitting material along a given line of sight complicates the interpretation. The spatial difference in the peak of the H_2 and near-infrared continuum peaks in NGC 2023 and NGC 7023 shows that the near-infrared continuum is due to a material which can survive closer to the star than H_2 can.

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

    DOE Patents [OSTI]

    Rollins, Harry W. (Idaho Falls, ID); Petkovic, Lucia M. (Idaho Falls, ID); Ginosar, Daniel M. (Idaho Falls, ID)

    2011-02-01T23:59:59.000Z

    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.

  10. Vacuum-insulated catalytic converter

    DOE Patents [OSTI]

    Benson, David K. (Golden, CO)

    2001-01-01T23:59:59.000Z

    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.

  11. Catalytic distillation structure

    DOE Patents [OSTI]

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

    1984-01-01T23:59:59.000Z

    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.

  12. A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation

    SciTech Connect (OSTI)

    Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.

    2014-10-03T23:59:59.000Z

    The complex Co(dmpe)?H catalyzes the hydrogenation of CO? at one atm and 21 ºC with significant improvement in turnover frequency relative to previously reported second and third row transition metal complexes. New studies are presented to elucidate the catalytic mechanism as well as pathways for catalyst deactivation. The catalytic rate was optimized through the choice of the base to match the pKa of the [Co(dmpe)?(H)?]? intermediate. By using a strong enough base, the catalytic rate has a zero order dependence on the concentration of base and pressure of hydrogen, and a first order dependence on the pressure of CO?. However, upon exceeding CO?:H? ratios of greater than one, the catalytically inactive species [(?-dmpe)(Co(dmpe)?)?]²? and [Co(dmpe)?CO]? are observed. Research by M.S.J., M.T.M., A.M.A., and J.C.L. was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Research by M.L.H. and E.B.H. 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. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for the DOE by Battelle.

  13. Autothermal hydrogen storage and delivery systems

    DOE Patents [OSTI]

    Pez, Guido Peter (Allentown, PA); Cooper, Alan Charles (Macungie, PA); Scott, Aaron Raymond (Allentown, PA)

    2011-08-23T23:59:59.000Z

    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. "Kohn-Shamification" of the classical density-functional theory of inhomogeneous polar molecular liquids with application to liquid hydrogen chloride

    E-Print Network [OSTI]

    Johannes Lischner; T. A. Arias

    2008-06-27T23:59:59.000Z

    The Gordian knot of density-functional theories for classical molecular liquids remains finding an accurate free-energy functional in terms of the densities of the atomic sites of the molecules. Following Kohn and Sham, we show how to solve this problem by considering noninteracting molecules in a set of effective potentials. This shift in perspective leads to an accurate and computationally tractable description in terms of simple three-dimensional functions. We also treat both the linear- and saturation- dielectric responses of polar systems, presenting liquid hydrogen chloride as a case study.

  15. Catalytic distillation process

    DOE Patents [OSTI]

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

    1982-01-01T23:59:59.000Z

    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 process

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1982-06-22T23:59:59.000Z

    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.

  17. Catalytic distillation structure

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1984-04-17T23:59:59.000Z

    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.

  18. Recent trends in refinery hydrogen production

    SciTech Connect (OSTI)

    Aitani, A.M.; Siddiqui, M.A.B. [King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)

    1996-12-31T23:59:59.000Z

    Refiners are experiencing a rise in hydrogen requirements to improve product quality and process heavy sour crudes. Fuel reformulation has disrupted refinery hydrogen balance in two ways: more hydrogen is needed for hydroprocessing and less hydrogen is coproduced from catalytic naphtha reforming. The purpose of this paper is to review trends in maximizing refinery hydrogen production by modifications and alternatives to the conventional steam methane reforming, recovery from refinery off gases and {open_quote}across-the-fence{close_quote} hydrogen supply. 11 refs., 2 tabs.

  19. A bio-inspired molecular water oxidation catalyst for renewable hydrogen generation: An examination of salt effects

    E-Print Network [OSTI]

    Lawson, Catherine L.

    , purification, and/or burning processes. The generation of hydrogen using solar energy to split water, ideally. Swiegersc , Leone Spicciaa * a School of Chemistry, Monash University, Clayton, Victoria 3800, Australia b, University of Wollongong, Wollongong, NSW 2522, Australia ABSTRACT Most transport fuels are derived from

  20. Catalytic nanoporous membranes

    DOE Patents [OSTI]

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

    2013-08-27T23:59:59.000Z

    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.

  1. Steam reformer with catalytic combustor

    DOE Patents [OSTI]

    Voecks, Gerald E. (La Crescenta, CA)

    1990-03-20T23:59:59.000Z

    A steam reformer is disclosed having an annular steam reforming catalyst bed formed by concentric cylinders and having a catalytic combustor located at the center of the innermost cylinder. Fuel is fed into the interior of the catalytic combustor and air is directed at the top of the combustor, creating a catalytic reaction which provides sufficient heat so as to maintain the catalytic reaction in the steam reforming catalyst bed. Alternatively, air is fed into the interior of the catalytic combustor and a fuel mixture is directed at the top. The catalytic combustor provides enhanced radiant and convective heat transfer to the reformer catalyst bed.

  2. Catalytic multi-stage liquefaction (CMSL)

    SciTech Connect (OSTI)

    Comolli, A.G.; Ganguli, P.; Karolkiewicz, W.F.; Lee, T.L.K.; Pradhan, V.R.; Popper, G.A.; Smith, T.; Stalzer, R.

    1996-11-01T23:59:59.000Z

    Under contract with the U.S. Department of Energy, Hydrocarbon Technologies, Inc. has conducted a series of eleven catalytic, multi-stage, liquefaction (CMSL) bench scale runs between February, 1991, and September, 1995. The purpose of these runs was to investigate novel approaches to liquefaction relating to feedstocks, hydrogen source, improved catalysts as well as processing variables, all of which are designed to lower the cost of producing coal-derived liquid products. This report summarizes the technical assessment of these runs, and in particular the evaluation of the economic impact of the results.

  3. 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. [IPAC, California Institute of Technology, Mail Code 220-6, Pasadena, CA 91125 (United States); Appleton, P. N. [NHSC, California Institute of Technology, Mail Code 220-6, Pasadena, CA 91125 (United States); Bertincourt, B. [Department of Astronomy, Columbia University, 550 West 120th Street, New York, New York 10027 (United States); Seymour, N., E-mail: ogle@ipac.caltech.edu [CSIRO Astronomy and Space Science, P.O. Box 76, Epping, NSW 1710 (Australia)

    2012-05-20T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

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

    2014-12-14T23:59:59.000Z

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

  5. Supporting Information for: Exoelectrogenic biofilm as a template for sustainable formation of a catalytic

    E-Print Network [OSTI]

    and (B) anode potential (vs. SHE) of electrodes operated in a hydrogen fuel cell without potentiostatic that were pyrolyzed, but did not undergo the subsequent oxidation step generated with an RDE at 1000 rpm were alternately sparged with nitrogen and hydrogen to show the catalytic response of the reactors

  6. Visualizing and Quantifying Molecular Goodness-of-Fit: Small-probe Contact Dots with Explicit Hydrogen Atoms

    E-Print Network [OSTI]

    Richardson, David

    Visualizing and Quantifying Molecular Goodness-of-Fit: Small-probe Contact Dots with Explicit) for analyzing interaction patterns in the molecules themselves. # 1999 Academic Press Keywords: protein internal, 1711±1733 0022-2836/99/041711±23 $30.00/0 # 1999 Academic Press #12;Introduction Remarkably ordered

  7. Chemical Sputtering and Surface Damage of Graphite by Low Energy Atomic and Molecular Hydrogen and Deuterium Projectiles

    SciTech Connect (OSTI)

    Meyer, Fred W [ORNL; Zhang, Hengda [ORNL; Lance, Michael J [ORNL; Krause, Herbert F [ORNL

    2008-01-01T23:59:59.000Z

    We present experimental methane production yields for H+, H2+, and H3+ ions incident on ATJ graphite in the energy range 10-250 eV/H. Below about 60 eV/H, the molecular H species give higher methane yields/H when compared with isovelocity H+. The results are interpreted by considering the differences of the maximum binary collision energy transfer in the ejection of chemical sputtering products associated with undissociated molecules and incident atomic ions, using the same analysis as developed by Yao et al. (PRL 81, 550(1998)) in comparing sputtering of Au by isovelocity N+ and N2+ ions. For both D and H atomic and molecular projectiles, the yields/atom coalesce onto a single curve below projectile energies of approximately 60 eV/atom, when plotted as function of maximum energy transfer, under the assumption that the incident molecular species are undissociated when ejecting the hydrocarbon chemical sputtering product. Raman spectroscopy of a graphite sample exposed to high fluences of D+ and D3+ beams at high and low energies, confirmed the expectation that, according to this argument, there should also be more surface damage by incident molecular species than by isovelocity atomic ions. The two high-energy beam-exposed spots showed similar damage, while the low-energy molecular-beam- exposed spot showed slightly more damage than the corresponding D+ beam exposed spot.

  8. Catalytic thermal barrier coatings

    DOE Patents [OSTI]

    Kulkarni, Anand A. (Orlando, FL); Campbell, Christian X. (Orlando, FL); Subramanian, Ramesh (Oviedo, FL)

    2009-06-02T23:59:59.000Z

    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.

  9. Concentric catalytic combustor

    DOE Patents [OSTI]

    Bruck, Gerald J. (Oviedo, FL); Laster, Walter R. (Oviedo, FL)

    2009-03-24T23:59:59.000Z

    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.

  10. Catalytic hydrodesulfurization of bitumen

    SciTech Connect (OSTI)

    Sharma, R.K.; Olson, E.S. [Univ. of North Dakota, Grand Forks, ND (United States)

    1995-12-31T23:59:59.000Z

    Investigations of the catalytic hydrodesulfurization of Venezuela bitumen and its water emulsion (Orimulsion) were carried out. This material contained a large amount of sulfur and organometallics, such as vanadium and nickel compounds. A variety of nickel and molybdenum catalysts were prepared. These, as well as two commercial catalysts, were tested with Orimulsion and vacuum-dried, pentane-insoluble and soluble bitumen. Catalytic hydrotreatment removed up to 75% of sulfur from the bitumen. Hydrodesulfurization was found to be affected by reaction temperature, reaction time, catalyst, and feed material. Moisture-free bitumen and a pentane-soluble bitumen fraction were desulfurized more effectively than Orimulsion. Zeolite-based catalysts gave higher desulfurization than synthetic clay catalysts.

  11. Catalytic reforming catalyst

    SciTech Connect (OSTI)

    Buss, W.C.; Kluksdahl, H.E.

    1980-12-09T23:59:59.000Z

    An improved catalyst, having a reduced fouling rate when used in a catalytic reforming process, said catalyst comprising platinum disposed on an alumina support wherein the alumina support is obtained by removing water from aluminum hydroxide produced as a by-product from a ziegler higher alcohol synthesis reaction, and wherein the alumina is calcined at a temperature of 1100-1400/sup 0/F so as to have a surface area of 165 to 215 square meters per gram.

  12. Photolysis of (cyclopentadienyl)- and (Pentamethylcyclopentadienyl)tricarbonylhydridometal complexes of tungsten and molybdenum in dihydrogen-containing matrices: evidence of adducts of molecular hydrogen

    SciTech Connect (OSTI)

    Sweany, R.L.

    1986-10-29T23:59:59.000Z

    When HMCp(CO)/sub 3/ and HMPc'(CO)/sub 3/ (M = Mo and W; Cp = eta/sup 5/-C/sub 5/H/sub 5/; and Cp' = eta/sup 5/-C/sub 5/(CH/sub 3/)/sub 5/) are photolyzed with a low-pressure mercury lamp in dihydrogen-containing matrices, new bands appear in the carbonyl region of the infrared spectrum which are assignable to simple adducts of molecular hydrogen. These bands have been assigned to cisoid and transoid isomers of HM(H/sub 2/)Cp(CO)/sub 2/ and HM(H/sub 2/)Cp'(CO)/sub 2/. The molybdenum complexes can be shown to form from HMoCp(CO)/sub 2/ or HMoCp'(CO)/sub 2/ with radiation of ..gamma.. > 400 nm. The dihydrogen complex is destroyed by using radiation of ..gamma.. < 400 nm. The principal product of this latter process is HMoCp(CO)/sub 2/ or MoCp'(CO)/sub 2/. Thus, all the steps leading to the formation of the adducts from the parent HMoCp(CO)/sub 2/ are reversible. The tungsten dihydrogen adducts form from HWCp(CO)/sub 3/ in an analogous fashion via the intermediacy of HWCp(CO)/sub 2/. However, the two isomers of HW(H/sub 2/)Cp(CO)/sub 2/ do not form HWCp(CO)/sub 2/ upon subsequent photolysis. Rather, a new species is formed which gives spectral data consistent with H/sub 3/WCpCO, in which the hydrogen is oxidatively added.

  13. Ultra Low NOx Catalytic Combustion for IGCC Power Plants

    SciTech Connect (OSTI)

    Shahrokh Etemad; Benjamin Baird; Sandeep Alavandi; William Pfefferle

    2008-03-31T23:59:59.000Z

    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.

  14. Florida Hydrogen Initiative

    SciTech Connect (OSTI)

    Block, David L

    2013-06-30T23:59:59.000Z

    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 cel

  15. Catalytic reforming methods

    DOE Patents [OSTI]

    Tadd, Andrew R; Schwank, Johannes

    2013-05-14T23:59:59.000Z

    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.

  16. Hydrogen Cryomagnetics

    E-Print Network [OSTI]

    Glowacki, B. A.; Hanely, E.; Nuttall, W. J.

    2014-01-01T23:59:59.000Z

    in our current approach. The liquefaction of hydrogen allows also for its use in transport applications for example BMW developed a car that utilises liquid hydrogen instead of compressed gas hydrogen making the use of cryogenic hydrogen even more... efficient. 11     Figure 13. Decentralised production of hydrogen pathways for Energy and Hydrogen Cryomagnetic solutions for a hospital environment. The shaded region in the figure represents the decentralised production of hydrogen using renewable...

  17. The Role of Pendant Amines in the Breaking and Forming of Molecular...

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

    Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes. The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen...

  18. Purdue Hydrogen Systems Laboratory

    SciTech Connect (OSTI)

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

    2011-12-28T23:59:59.000Z

    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.

  19. Novel Catalytic Membrane Reactors

    SciTech Connect (OSTI)

    Stuart Nemser, PhD

    2010-10-01T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Comolli, Alfred G. (Yardley, PA); Lee, Lap-Keung (Cranbury, NJ)

    2001-01-01T23:59:59.000Z

    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.

  1. 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.

    2009-10-06T23:59:59.000Z

    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

  2. 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...

  3. Methods and apparatus for catalytic hydrothermal gasification...

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

    Methods and apparatus for catalytic hydrothermal gasification of biomass Re-direct Destination: Continuous processing of wet biomass feedstock by catalytic hydrothermal...

  4. Synthesis, Characterization, and Catalytic Function of Novel...

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

    Characterization, and Catalytic Function of Novel Highly Dispersed Tungsten Oxide Catalysts on Mesoporous Silica . Synthesis, Characterization, and Catalytic Function of Novel...

  5. Preparation, Characterization, and Catalytic Properties of Tungsten...

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

    Preparation, Characterization, and Catalytic Properties of Tungsten Trioxide Cyclic Trimers on FeO(111)Pt(111). Preparation, Characterization, and Catalytic Properties of Tungsten...

  6. The Role of a Dipeptide Outer-Coordination Sphere on H2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer

    SciTech Connect (OSTI)

    Reback, Matthew L.; Ginovska-Pangovska, Bojana; Ho, Ming-Hsun; Jain, Avijita; Squier, Thomas C.; Raugei, Simone; Roberts, John A.; Shaw, Wendy J.

    2013-02-04T23:59:59.000Z

    The outer-coordination sphere of enzymes acts to fine-tune the active site reactivity and control catalytic rates, suggesting that incorporation of analogous structural elements into molecular catalysts may be necessary to achieve rates comparable to those observed in enzyme systems at low overpotentials. In this work, we evaluate the effect of an amino acid and dipeptide outer-coordination sphere on [Ni(PPh2NPh-R2)2]2+ hydrogen production catalysts. A series of 12 new complexes containing non-natural amino acids or dipeptides were prepared to test the effects of positioning, size, polarity and aromaticity on catalytic activity. The non-natural amino acid was either 3-(meta- or para-aminophenyl)propionic acid terminated as an acid, an ester or an amide. Dipeptides consisted of one of the non-natural amino acids coupled to one of four amino acid esters: alanine, serine, phenylalanine or tyrosine. All of the catalysts are active for hydrogen production, with rates averaging ~1000 s-1, 40% faster than the unmodified catalyst. Structure and polarity of the aliphatic or aromatic side chains of the C-terminal peptide do not strongly influence rates. However, the presence of an amide bond increases rates, suggesting a role for the amide in assisting catalysis. Overpotentials were lower with substituents at the N-phenyl meta position. This is consistent with slower electron transfer in the less compact, para-substituted complexes, as shown in digital simulations of catalyst cyclic voltammograms and computational modeling of the complexes. Combining the current results with insights from previous results, we propose a mechanism for the role of the amino acid and dipeptide based outer-coordination sphere in molecular hydrogen production catalysts.

  7. Catalytic cartridge SO/sub 3/ decomposer

    DOE Patents [OSTI]

    Galloway, T.R.

    1980-11-18T23:59:59.000Z

    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.

  8. Geothermal hydrogen sulfide removal

    SciTech Connect (OSTI)

    Urban, P.

    1981-04-01T23:59:59.000Z

    UOP Sulfox technology successfully removed 500 ppM hydrogen sulfide from simulated mixed phase geothermal waters. The Sulfox process involves air oxidation of hydrogen sulfide using a fixed catalyst bed. The catalyst activity remained stable throughout the life of the program. The product stream composition was selected by controlling pH; low pH favored elemental sulfur, while high pH favored water soluble sulfate and thiosulfate. Operation with liquid water present assured full catalytic activity. Dissolved salts reduced catalyst activity somewhat. Application of Sulfox technology to geothermal waters resulted in a straightforward process. There were no requirements for auxiliary processes such as a chemical plant. Application of the process to various types of geothermal waters is discussed and plans for a field test pilot plant and a schedule for commercialization are outlined.

  9. Quantum Confinement in Hydrogen Bond

    E-Print Network [OSTI]

    Santos, Carlos da Silva dos; Ricotta, Regina Maria

    2015-01-01T23:59:59.000Z

    In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and non-confinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from Supersymmetric Quantum Mechanics (SQM) formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy.

  10. Hydrogen sensor

    DOE Patents [OSTI]

    Duan, Yixiang (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM); Cao, Wenqing (Katy, TX)

    2010-11-23T23:59:59.000Z

    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.

  11. Oxidation of hydrogen halides to elemental halogens

    DOE Patents [OSTI]

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

    1985-01-01T23:59:59.000Z

    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.

  12. Correlations between surface structure and catalytic activity/selectivity

    SciTech Connect (OSTI)

    Goodman, D.W.

    1992-10-01T23:59:59.000Z

    Objective is to address the keys to understanding the relation between surface structure and catalytic activity/selectivity. Of concern are questions related to enhanced catalytic properties of mixed-metal catalysts and critical active site requirements for molecular synthesis and rearrangement. The experimental approach utilizes a microcatalytic reactor contiguous to a surface analysis system, an arrangement which allows in vacuo transfer of the catalyst from one chamber to the other. Surface techniques being used include Auger (AES), UV and X-ray photoemission spectroscopy (UPS and XPS), temperature programmed desorption (TPD), low energy electron diffraction (LEED), high resolution electron energy loss spectroscopy (HREELS) and infrared reflection-absorption spectroscopy (IRAS). Our research program builds upon our previous experience relating the results of single crystal kinetic measurements with the results obtained with supported analogs. As well we are exploiting our recent work on the preparation, the characterization, and the determination of the catalytic properties of ultra-thin metal and metal oxide films. The program is proceeding toward the study of the unique catalytic properties of ultrathin metal films; the investigation of the critical ensemble size requirements for principal catalytic reaction types; and the modelling of supported catalysts using ultra-thin planar oxide surfaces.

  13. Studies of coupled chemical and catalytic coal conversion methods

    SciTech Connect (OSTI)

    Stock, L.M.; Chatterjee, K.; Cheng, C.; Ettinger, M.; Flores, F.; Jiralerspong, S.; Miyake, M.; Muntean, J.

    1991-12-01T23:59:59.000Z

    The objective of this research was to convert coal into a soluble substance under mild conditions. The strategy involved two steps, first to breakdown the macromolecular network of coal, and second to add hydrogen catalytically. We investigated different basic reagents that could, in priciple, break down coal's structure and alkylation strategies that might enhance its solubility. We examined O- and C-alkylation, the importance of the strength of the base, the character of the added alkyl groups and other reaction parameters. This work provided new information concerning the way in which hydrogen bonding, polarization interactions between aromatic structures and covalent bonding could be disrupted and solubility enhanced. The objective of our research was to explore new organochromium chemistry that might be feasible for the hydrogenation of coal under mild conditions.

  14. Studies of coupled chemical and catalytic coal conversion methods

    SciTech Connect (OSTI)

    Stock, L.M.; Chatterjee, K.; Cheng, C.; Ettinger, M.; Flores, F.; Jiralerspong, S.; Miyake, M.; Muntean, J.

    1991-12-01T23:59:59.000Z

    The objective of this research was to convert coal into a soluble substance under mild conditions. The strategy involved two steps, first to breakdown the macromolecular network of coal, and second to add hydrogen catalytically. We investigated different basic reagents that could, in priciple, break down coal`s structure and alkylation strategies that might enhance its solubility. We examined O- and C-alkylation, the importance of the strength of the base, the character of the added alkyl groups and other reaction parameters. This work provided new information concerning the way in which hydrogen bonding, polarization interactions between aromatic structures and covalent bonding could be disrupted and solubility enhanced. The objective of our research was to explore new organochromium chemistry that might be feasible for the hydrogenation of coal under mild conditions.

  15. The catalytic oxidation of propane 

    E-Print Network [OSTI]

    Sanderson, Charles Frederick

    1949-01-01T23:59:59.000Z

    THE CATALYTIC OXIDATION OP PROPANE A Thesis By Charles Frederick Sandersont * * June 1949 Approval as to style and content recommended: Head of the Department of Chemical Engineering THE CATALYTICi OXIDATTON OF PROPANE A Thesis By Charles... Frederick ;Sandersonit * June 1949 THE CATALYTIC OXIDATION OP PROPANE A Thesis Submitted to the Faculty of the Agricultural and Mechanical College of Texas in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy Major...

  16. The catalytic oxidation of propane

    E-Print Network [OSTI]

    Sanderson, Charles Frederick

    1949-01-01T23:59:59.000Z

    THE CATALYTIC OXIDATION OP PROPANE A Thesis By Charles Frederick Sandersont * * June 1949 Approval as to style and content recommended: Head of the Department of Chemical Engineering THE CATALYTICi OXIDATTON OF PROPANE A Thesis By Charles... Frederick ;Sandersonit * June 1949 THE CATALYTIC OXIDATION OP PROPANE A Thesis Submitted to the Faculty of the Agricultural and Mechanical College of Texas in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy Major...

  17. Code for Hydrogen Hydrogen Pipeline

    E-Print Network [OSTI]

    #12;2 Code for Hydrogen Pipelines Hydrogen Pipeline Working Group Workshop Augusta, Georgia August development · Charge from BPTCS to B31 Standards Committee for Hydrogen Piping/Pipeline code development · B31.12 Status & Structure · Hydrogen Pipeline issues · Research Needs · Where Do We Go From Here? #12;4 Code

  18. Liquid Hydrogen Delivery - Strategic Directions for Hydrogen...

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

    Liquid Hydrogen Delivery - Strategic Directions for Hydrogen Delivery Workshop Liquid Hydrogen Delivery - Strategic Directions for Hydrogen Delivery Workshop Targets, barriers and...

  19. Novel Catalytic Fuel Reforming Using Micro-Technology with Advanced Separations Technology

    E-Print Network [OSTI]

    Novel Catalytic Fuel Reforming Using Micro-Technology with Advanced Separations Technology Patricia by the combustion of membrane raffinate for the production of clean hydrogen by steam reforming natural gas. Advanced membrane technology is being used to remove CO and CO2 from the reformate. The fuel processor

  20. 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

    2014-01-07T23:59:59.000Z

    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.

  1. Catalytic destruction of groundwater contaminants in reactive extraction wells

    DOE Patents [OSTI]

    McNab, Jr., Walt W. (Concord, CA); Reinhard, Martin (Stanford, CA)

    2002-01-01T23:59:59.000Z

    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.

  2. Evidence for molecular activated recombination of He single ions from particle balance measurements in helium and hydrogen mixture plasmas in PISCES A

    E-Print Network [OSTI]

    Cai, Laizhong

    2008-01-01T23:59:59.000Z

    order to observe the Doppler effect, two mirrors are mountedof Zeeman effect and Doppler effect for hydrogen-like spec-including Zeeman, Doppler, and Stark effects. Due to the

  3. Enhanced Hydrogen Dipole Physisorption, Final Report

    SciTech Connect (OSTI)

    Ahn, Channing

    2014-01-03T23:59:59.000Z

    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.

  4. 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

  5. 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.

  6. Hydrogen Analysis

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

    A H2A: Hydrogen Analysis Margaret K. Mann DOE Hydrogen, Fuel Cells, and Infrastructure Technologies Program Systems Analysis Workshop July 28-29, 2004 Washington, D.C. H2A Charter...

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

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

    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...

  8. Catalytic hydrogenation of an aromatic sulfonyl chloride into thiophenol

    E-Print Network [OSTI]

    Rouckout, Nicolas Julien

    2009-05-15T23:59:59.000Z

    to the facile oxidation by air into disulfides [3]. Many aliphatic thiols are important starting materials for the synthesis of crop- protection agents, pharmaceuticals, agrochemicals and polysulfides. They are also widely used as polymerization regulators... for the preparation of pharmaceuticals, agrochemicals, dyes, pigments, rubber, plastics and metal finishing [3]. The current market volume for aromatic thiols was determined to be more than 10 million pounds per year [4]. Aromatic thiols are commonly synthesized...

  9. Catalytic Membrane Reactor for Extraction of Hydrogen from Bioethanol Reforming 

    E-Print Network [OSTI]

    Kuncharam, Bhanu Vardhan

    2013-11-26T23:59:59.000Z

    Carbonate Fuel Cell (MCFC) . . . . . . . . . . . . . . . . 16 1.3.5 Direct Methanol Fuel Cell (DMFC) . . . . . . . . . . . . . . . . 17 1.3.6 Solid Oxide Fuel Cell (SOFC) . . . . . . . . . . . . . . . . . . . 18 1.3.7 Polymer Electrolyte Membrane Fuel Cells... fuel cell. . . . . . . . . . . . . . 17 1.6 Schematic of a typical direct methanol fuel cell. . . . . . . . . . . . . . . 18 1.7 Schematic of a typical solid oxide fuel cell. . . . . . . . . . . . . . . . . 19 1.8 Schematic of a typical polymer...

  10. Hydrogen from Biomass Catalytic Reforming of Pyrolysis Vapors

    E-Print Network [OSTI]

    kg H2/day) with catalyst attrition rates Biomass Feedstocks 6 CO2 +6 H2O C6 waste Issues: Biomass Availability and Costs Georgia Biomass Feedstock Supply 0 3 6 9 12 2000 2010 2020

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch >InternshipDepartmentNeutrino-Induced Charged-CurrentN N U A LThe ...|

  12. Recent Advances in Catalytic Conversion of Ethanol to Chemicals

    SciTech Connect (OSTI)

    Sun, Junming; Wang, Yong

    2014-04-30T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Comolli, Alfred G. (Yardley, PA)

    1991-01-01T23:59:59.000Z

    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.

  14. Hydrogen Storage Technologies Hydrogen Delivery

    E-Print Network [OSTI]

    Hydrogen Storage Technologies Roadmap Hydrogen Delivery Technical Team Roadmap June 2013 #12;This). The Hydrogen Delivery Technical Team is one of 12 U.S. DRIVE technical teams ("tech teams") whose mission and clean advanced lightduty vehicles, as well as related energy infrastructure. For more information about

  15. INTEGRAL CATALYTIC COMBUSTION/FUEL REFORMING

    E-Print Network [OSTI]

    INTEGRAL CATALYTIC COMBUSTION/FUEL REFORMING FOR GAS TURBINE Prepared For: California Energy REPORT (FAR) INTEGRAL CATALYTIC COMBUSTION/FUEL REFORMING FOR GAS TURBINE CYCLES EISG AWARDEE University://www.energy.ca.gov/research/index.html. #12;Page 1 Integral Catalytic Combustion/Fuel Reforming for Gas Turbine Cycles EISG Grant # 99

  16. Catalytic decomposition of alcohols over size-selected Pt nanoparticles supported on ZrO2: A study of activity, selectivity, and stability

    E-Print Network [OSTI]

    Kik, Pieter

    ,17]. Catalytic reforming of gasoline additives, e.g. methanol, ethanol, and potentially butanol, may serve. Recent studies have focused on the feasibility of obtaining hydrogen (via steam reforming) from 2 hydrogen generation from alcohols (i.e. methanol, ethanol, propanol, butanol) can promote the use of fuel

  17. On the role of interfacial hydrogen bonds in "on-water" catalysis

    E-Print Network [OSTI]

    Kristof Karhan; Rustam Z. Khaliullin; Thomas D. Kühne

    2014-08-21T23:59:59.000Z

    Numerous experiments have demonstrated that many classes of organic reactions exhibit increased reaction rates when performed in heterogeneous water emulsions. Despite enormous practical importance of the observed "on-water" catalytic effect and several mechanistic studies, its microscopic origins remains unclear. In this work, the second generation Car-Parrinello molecular dynamics method is extended to self-consistent charge density-functional based tight-binding in order to study "on-water" catalysis of the Diels-Alder reaction between dimethyl azodicarboxylate and quadricyclane. We find that the stabilization of the transition state by dangling hydrogen bonds exposed at the aqueous interfaces plays a significantly smaller role in "on-water" catalysis than has been suggested previously.

  18. Sandia National Laboratories: Hydrogen

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

    in Materials & Components Compatibility Hydrogen Behavior Quantitative Risk Assessment Hydrogen Infrastructure Solar Thermochemical Hydrogen Production Market Transformation...

  19. 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.

    2004-03-25T23:59:59.000Z

    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

  20. DOE Hydrogen Program Overview

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

    Hydrogen Program A Prospectus for Biological H 2 Production The Hydrogen Economy The hydrogen economy pertains to a world fundamentally different from the one we now know. Hydrogen...

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

    DOE Patents [OSTI]

    Jensen, Craig M. (Kailua, HI); Zidan, Ragaiy A. (Honolulu, HI)

    2002-01-01T23:59:59.000Z

    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.

  2. Hydrogen Storage Materials Workshop Proceedings, August 14th...

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

    molecular sieve MCM-48 impregnated with sucrose and then pyrolyzed. * Silica dioxide aerogels and xerogels have not been explored as hydrogen storage materials. * Other mesoporous...

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

    DOE Patents [OSTI]

    Lueking, Angela (State College, PA); Narayanan, Deepa (Redmond, WA)

    2011-03-08T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Seshadri, Vikram; Kaisare, Niket S. [Department of Chemical Engineering, Indian Institute of Technology - Madras, Chennai 600 036 (India)

    2010-11-15T23:59:59.000Z

    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)

  5. Synthesis and Application of New Ligands Derived from N-Heterocyclic Carbenes, Phosphines and Phosphites for Asymmetric Hydrogenations

    E-Print Network [OSTI]

    Khumsubdee, Sakunchai

    2013-11-05T23:59:59.000Z

    N-Heterocyclic carbene and phosphorus ligands have been synthesized and used for many catalytic reactions including chiral analogs of Crabtree’s catalyst for asymmetric hydrogenation. These catalysts have been studied extensively...

  6. Discovery and High-Throughput Screening of Heteroleptic Iridium Complexes for Photoinduced Hydrogen Production

    E-Print Network [OSTI]

    Bernhard, Stefan

    researchers. Simple solar devices focus or collect sunlight, harnessing radiation in order to heat dwellings December 3, 2004; E-mail: sbernhar@princeton.edu Abstract: The catalytic process of photoinduced hydrogen of the hydrogen evolution process and facilitated mechanistic studies. All six compounds investigated produced

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

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

    Onishi, Naoya [National Inst. of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan); Japan Science and Technology Agency, Kawaguchi, Saitama (Japan); Fujita, Etsuko [Brookhaven National Lab. (BNL), Upton, NY (United States); Xu, Shaoan [National Inst. of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan); Japan Science and Technology Agency, Kawaguchi, Saitama (Japan); Manaka, Yuichi [National Inst. of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan); Suna, Yuki [National Inst. of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan); Wang, Wan-Hui [National Inst. of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan); Muckerman, James T. [Brookhaven National Lab. (BNL), Upton, NY (United States); Himeda, Yuichiro [National Inst. of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan); Japan Science and Technology Agency, Kawaguchi, Saitama (Japan)

    2015-06-01T23:59:59.000Z

    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?.

  8. 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

    2015-06-01T23:59:59.000Z

    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 effectsmore »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?.« less

  9. Hydrogen Fueling Systems and Infrastructure

    E-Print Network [OSTI]

    ;Projects Hydrogen Infrastructure Development · Turnkey Commercial Hydrogen Fueling Station · Autothermal

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

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

    as Reductants Bifunctional Catalysts for the Selective Catalytic Reduction of NO by Hydrocarbons Development of Optimal Catalyst Designs and Operating Strategies for Lean NOx...

  11. Plasma-assisted catalytic reduction system

    DOE Patents [OSTI]

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

    1998-01-27T23:59:59.000Z

    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.

  12. Superconducting Cuprates on Catalytic Substrates - Energy Innovation...

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

    Transmission Electricity Transmission Find More Like This Return to Search Superconducting Cuprates on Catalytic Substrates Brookhaven National Laboratory Contact BNL About...

  13. 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

  14. Catalytic membranes for fuel cells

    DOE Patents [OSTI]

    Liu, Di-Jia (Naperville, IL); Yang, Junbing (Bolingbrook, IL); Wang, Xiaoping (Naperville, IL)

    2011-04-19T23:59:59.000Z

    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.

  15. Catalytic Nanostructures | The Ames Laboratory

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C o . C lKieling ,CatalysisPortalCatalytic

  16. PHOTOELECTROCHEMICAL HYDROGEN PRODUCTION Eric Miller and Richard Rocheleau

    E-Print Network [OSTI]

    (indium-tin-oxide), and polymer-encapsulation films deposited at the University of Hawaii. The a-Si solar these catalytic coatings, solar-to-hydrogen efficiencies of 6% to 8% were expected for the a-Si based-stacks was reduced from 1.8 V to below 1 V, making water-splitting impossible, despite predicted solar

  17. atomic hydrogen generated: Topics by E-print Network

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

    hydrogen generated First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Evidence of Catalytic Production of...

  18. 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.

    2014-07-07T23:59:59.000Z

    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.

  19. 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

    2011-03-28T23:59:59.000Z

    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.

  20. Hydrogen and bioenergetics in the Yellowstone geothermal ecosystem

    E-Print Network [OSTI]

    #12;Hydrogen and bioenergetics in the Yellowstone geothermal ecosystem John R. Spear*, Jeffrey J of organisms of the kinds that derive energy for primary productivity from the oxidation of molecular hydrogen of energy for primary production in the Yellowstone high-temperature ecosys- tem. Hydrogen concentrations

  1. Hydrogen production from methanol decomposition over Pt/Al2O3 and ceria promoted Pt/Al2O3 catalysts

    E-Print Network [OSTI]

    Gulari, Erdogan

    Hydrogen production from methanol decomposition over Pt/Al2O3 and ceria promoted Pt/Al2O3 catalysts-based catalysts in the production of hydrogen from methanol through catalytic decomposition rights reserved. Keywords: Methanol decomposition; Pt/alumina; Ceria; Hydrogen; PEM fuel cell 1

  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

    2013-05-01T23:59:59.000Z

    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 program overview

    SciTech Connect (OSTI)

    Gronich, S. [Dept. of Energy, Washington, DC (United States). Office of Utility Technologies

    1997-12-31T23:59:59.000Z

    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. Effect of temperature on layer separation by plasma hydrogenation

    SciTech Connect (OSTI)

    Di, Z. F.; Wang, Y. Q.; Nastasi, M. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Rossi, F. [Joint Research Centre, European Commission, 21020 Ispra (Italy); Shao, L. [Department of Nuclear Engineering, Texas A and M University, 3133 TAMU, College Station, Texas 77843 (United States); Thompson, P. E. [Code 6812, Naval Research Laboratory, Washington, D.C. 20375-5347 (United States)

    2008-12-22T23:59:59.000Z

    We have studied hydrogen diffusion in plasma hydrogenated Si/SiGe/Si heterostructure at different temperatures. At low temperature, intrinsic point defects in the molecular beam epitaxy grown Si capping layer are found to compete with the buried strain SiGe layer for hydrogen trapping. The interaction of hydrogen with point defects affects the hydrogen long-range diffusion, and restricts the amount of hydrogen available for trapping by the SiGe layer. However, hydrogen trapping by the capping layer is attenuated with increasing hydrogenation temperature allowing more hydrogen to be trapped in the strain SiGe layer with subsequent surface blister formation. A potential temperature window for plasma hydrogenation induced layer separation is identified based on the combined considerations of trap-limited diffusion at low temperature and outdiffusion of H{sub 2} molecule together with the dissociation of Si-H bonds inside of H platelet at high temperature.

  5. Effect of temperature on layer separation by plasma-hydrogenation

    SciTech Connect (OSTI)

    Di, Zengfeng [Los Alamos National Laboratory; Michael, Nastasi A [Los Alamos National Laboratory; Wang, Yongqiang [Los Alamos National Laboratory

    2008-01-01T23:59:59.000Z

    We have studied hydrogen diffusion in plasma hydrogenated Si/SiGe/Si heterostructure at different temperatures. At low temperature, intrinsic point defects in the molecular beam epitaxy grown Si capping layer are found to compete with the buried strain SiGe layer for hydrogen trapping. The interaction of hydrogen with point defects affects the hydrogen long-range diffusion, and restricts the amount of hydrogen available for trapping by the SiGe layer. However, hydrogen trapping by the capping layer is attenuated with increasing hydrogenation temperature allowing more hydrogen to be trapped in the strain SiGe layer with subsequent surface blister formation. A potential temperature window for plasma hydrogenation induced layer separation is identified based on the combined considerations of trap-limited diffusion at low temperature and outdiffusion of H{sub 2} molecule together with the dissociation of Si-H bonds inside of H platelet at high temperature.

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

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

    Publications Bifunctional Catalysts for the Selective Catalytic Reduction of NO by Hydrocarbons Bifunctional Catalysts for the Selective Catalytic Reduction of NO by Hydrocarbons...

  7. Measurement of diesel solid nanoparticle emissions using a catalytic...

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

    diesel solid nanoparticle emissions using a catalytic stripper for comparison with Europe's PMP protocol Measurement of diesel solid nanoparticle emissions using a catalytic...

  8. Atomic-Structural Synergy for Catalytic CO Oxidation over Palladium...

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

    Atomic-Structural Synergy for Catalytic CO Oxidation over Palladium-Nickel Nanoalloys. Atomic-Structural Synergy for Catalytic CO Oxidation over Palladium-Nickel Nanoalloys....

  9. 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)

    2002-01-01T23:59:59.000Z

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

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

    SciTech Connect (OSTI)

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

    2005-09-01T23:59:59.000Z

    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 (15-27°C) 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.

  11. The Hype About Hydrogen

    E-Print Network [OSTI]

    Mirza, Umar Karim

    2006-01-01T23:59:59.000Z

    economy based on the hydrogen fuel cell, but this cannot beus to look toward hydrogen. Fuel cell basics, simplifiedthe path to fuel cell commercialization. Hydrogen production

  12. Hydrogen Technologies Group

    SciTech Connect (OSTI)

    Not Available

    2008-03-01T23:59:59.000Z

    The Hydrogen Technologies Group at the National Renewable Energy Laboratory advances the Hydrogen Technologies and Systems Center's mission by researching a variety of hydrogen technologies.

  13. Hydrogen Transition Infrastructure Analysis

    SciTech Connect (OSTI)

    Melendez, M.; Milbrandt, A.

    2005-05-01T23:59:59.000Z

    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.

  14. Hydrogen Delivery Analysis Models

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

    insert our Research Targets to see the impact List of Delivery Components Compressed Hydrogen Gas Truck (Tube trailer) Compressed Hydrogen Gas Truck Terminal Liquid Hydrogen Truck...

  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. (Idaho Falls, ID)

    2008-07-22T23:59:59.000Z

    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. Catalytic converter with thermoelectric generator

    SciTech Connect (OSTI)

    Parise, R.J.

    1998-07-01T23:59:59.000Z

    The unique design of an electrically heated catalyst (EHC) and the inclusion of an ECO valve in the exhaust of an internal combustion engine will meet the strict new emission requirements, especially at vehicle cold start, adopted by several states in this country as well as in Europe and Japan. The catalytic converter (CC) has been a most useful tool in pollution abatement for the automobile. But the emission requirements are becoming more stringent and, along with other improvements, the CC must be improved to meet these new standards. Coupled with the ECO valve, the EHC can meet these new emission limits. In an internal combustion engine vehicle (ICEV), approximately 80% of the energy consumed leaves the vehicle as waste heat: out the tail pipe, through the radiator, or convected/radiated off the engine. Included with the waste heat out the tail pipe are the products of combustion which must meet strict emission requirements. The design of a new CC is presented here. This is an automobile CC that has the capability of producing electrical power and reducing the quantity of emissions at vehicle cold start, the Thermoelectric Catalytic Power Generator. The CC utilizes the energy of the exothermic reactions that take place in the catalysis substrate to produce electrical energy with a thermoelectric generator. On vehicle cold start, the thermoelectric generator is used as a heat pump to heat the catalyst substrate to reduce the time to catalyst light-off. Thus an electrically heated catalyst (EHC) will be used to augment the abatement of tail pipe emissions. Included with the EHC in the exhaust stream of the automobile is the ECO valve. This valve restricts the flow of pollutants out the tail pipe of the vehicle for a specified amount of time until the EHC comes up to operating temperature. Then the ECO valve opens and allows the full exhaust, now treated by the EHC, to leave the vehicle.

  17. HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM

    E-Print Network [OSTI]

    HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM IN PENNSYLVANIA HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM date ­ November 23, 2004 · Contract end date ­ March 31, 2006 #12;Hydrogen Regional Infrastructure Program in Pennsylvania Hydrogen Regional Infrastructure Program in Pennsylvania · Objectives ­ Capture

  18. The Hydrogen Bonding of Cytosinewith Guanine:Calorimetric and`H-NMR Analysis

    E-Print Network [OSTI]

    Williams, Loren

    The Hydrogen Bonding of Cytosinewith Guanine:Calorimetric and`H-NMR Analysis of the Molecular of hydrogen-bondformation between guanine (G) and cytusine (C) in o-dichloro- benzene and in chloroformat 25°C forming hydrogen bonds. Consequently, hydrogen-bond formation in our system is primarily between the bases

  19. 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.

  20. Hydrogen Analysis Group

    SciTech Connect (OSTI)

    Not Available

    2008-03-01T23:59:59.000Z

    NREL factsheet that describes the general activites of the Hydrogen Analysis Group within NREL's Hydrogen Technologies and Systems Center.

  1. Selective hydrogenation of 1,5,9-cyclododecatriene in up-flow and down-flow fixed bed reactors

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Selective hydrogenation of 1,5,9-cyclododecatriene in up-flow and down-flow fixed bed reactors, trickle-bed, modeling, selective hydrogenation. INTRODUCTION For many years fixed bed reactors with co and flooded bed reactors has been investigated and compared for an exothermic multi- step catalytic reaction

  2. Ideally Glassy Hydrogen Bonded Networks

    E-Print Network [OSTI]

    J. C. Phillips

    2005-08-05T23:59:59.000Z

    The axiomatic theory of ideally glassy networks, which has proved effective in describing phase diagrams and properties of chalcogenide and oxide glasses and their foreign interfaces, is broadened here to include intermolecular interactions in hydrogen-bonded polyalcohols such as glycerol, monosaccharides (glucose), and the optimal bioprotective hydrogen-bonded disaccharide networks formed from trehalose. The methods of Lagrangian mechanics and Maxwellian scaffolds are useful at the molecular level when bonding hierarchies are characterized by constraint counting similar to the chemical methods used by Huckel and Pauling. Whereas Newtonian molecular dynamical methods are useful for simulating large-scale interactions for times of order 10 ps, constraint counting describes network properties on glassy (almost equilibrated) time scales, which may be of cosmological order for oxide glasses, or years for trehalose. The ideally glassy network of trehalose may consist of extensible tandem sandwich arrays.

  3. Advanced Hydrogen Turbine Development

    SciTech Connect (OSTI)

    Joesph Fadok

    2008-01-01T23:59:59.000Z

    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 o

  4. 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...

  5. Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds...

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

    Bonded Arrays: The Power of Multiple Hydrogen Bonds. Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds. Abstract: Hydrogen bond interactions in small covalent model...

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

    Office of Environmental Management (EM)

    CNG, Hydrogen, CNG-Hydrogen Blends - Critical Fuel Properties and Behavior CNG, Hydrogen, CNG-Hydrogen Blends - Critical Fuel Properties and Behavior Presentation given by Jay...

  8. NREL Wind to Hydrogen Project: Renewable Hydrogen Production...

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

    Wind to Hydrogen Project: Renewable Hydrogen Production for Energy Storage & Transportation NREL Wind to Hydrogen Project: Renewable Hydrogen Production for Energy Storage &...

  9. Bulk Hydrogen Storage - Strategic Directions for Hydrogen Delivery...

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

    Bulk Hydrogen Storage - Strategic Directions for Hydrogen Delivery Workshop Bulk Hydrogen Storage - Strategic Directions for Hydrogen Delivery Workshop Targets, barriers and...

  10. Hydrogen dissociation catalyzed by carbon coated nickel nanoparticles: experiment and theory

    E-Print Network [OSTI]

    Yermakov, A Ye; Uimin, M A; Lokteva, E S; Erokhin, A V; Schegoleva, N N

    2012-01-01T23:59:59.000Z

    Based on combination of experimental measurements and first-principles calculations we report a novel carbon-based catalytic material and describe significant acceleration of the hydrogenation of magnesium at room temperature in presence of nickel nanoparticles wrapped in multilayer graphene. Increase of the rate of magnesium hydrogenation in contrast to the mix of graphite and nickel nanoparticles evidences intrinsic catalytic properties of explored nanocomposites. Results of simulations demonstrate that the doping from metal substrate and the presence of Stone-Wales defects turn multilayer graphene from chemically inert to chemically active mode. The role of the size of nanoparticles and temperature are also discussed.

  11. Chemical Kinetic Modeling of Hydrogen Combustion Limits

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K

    2008-04-02T23:59:59.000Z

    A detailed chemical kinetic model is used to explore the flammability and detonability of hydrogen mixtures. In the case of flammability, a detailed chemical kinetic mechanism for hydrogen is coupled to the CHEMKIN Premix code to compute premixed, laminar flame speeds. The detailed chemical kinetic model reproduces flame speeds in the literature over a range of equivalence ratios, pressures and reactant temperatures. A series of calculation were performed to assess the key parameters determining the flammability of hydrogen mixtures. Increased reactant temperature was found to greatly increase the flame speed and the flammability of the mixture. The effect of added diluents was assessed. Addition of water and carbon dioxide were found to reduce the flame speed and thus the flammability of a hydrogen mixture approximately equally well and much more than the addition of nitrogen. The detailed chemical kinetic model was used to explore the detonability of hydrogen mixtures. A Zeldovich-von Neumann-Doring (ZND) detonation model coupled with detailed chemical kinetics was used to model the detonation. The effectiveness on different diluents was assessed in reducing the detonability of a hydrogen mixture. Carbon dioxide was found to be most effective in reducing the detonability followed by water and nitrogen. The chemical action of chemical inhibitors on reducing the flammability of hydrogen mixtures is discussed. Bromine and organophosphorus inhibitors act through catalytic cycles that recombine H and OH radicals in the flame. The reduction in H and OH radicals reduces chain branching in the flame through the H + O{sub 2} = OH + O chain branching reaction. The reduction in chain branching and radical production reduces the flame speed and thus the flammability of the hydrogen mixture.

  12. Selective oxidation of hydrocarbons in a catalytic dense membrane reactor: Catalytic properties of BIMEVOX (Me = Ta)

    E-Print Network [OSTI]

    Boyer, Edmond

    1 Selective oxidation of hydrocarbons in a catalytic dense membrane reactor: Catalytic properties for syngas or H2 production from light hydrocarbons. #12;2 Keywords: Dense membrane reactor, BIMEVOX, BITAVOX to decouple the two steps of the redox mechanism that prevails in selective oxidation of hydrocarbons [1

  13. A crossed molecular beam study of the O(/sup 1/D/sub 2/)+CH/sub 4/ reaction

    SciTech Connect (OSTI)

    Casavecchia, P.; Buss, R.J.; Sibener, S.J.; Lee, Y.T.

    1980-12-15T23:59:59.000Z

    A cross molecular beam experiment was performed to study the O(/sup 1/D/sub 2/)+CH/sub 4/ reaction. The results show that hydrogen atom elimination reaction greatly exceeds molecular hydrogen elimination. (AIP)

  14. VOC Destruction by Catalytic Combustion Microturbine

    SciTech Connect (OSTI)

    Tom Barton

    2009-03-10T23:59:59.000Z

    This project concerned the application of a catalytic combustion system that has been married to a micro-turbine device. The catalytic combustion system decomposes the VOC's and transmits these gases to the gas turbine. The turbine has been altered to operate on very low-level BTU fuels equivalent to 1.5% methane in air. The performance of the micro-turbine for VOC elimination has some flexibility with respect to operating conditions, and the system is adaptable to multiple industrial applications. The VOC source that was been chosen for examination was the emissions from coal upgrading operations. The overall goal of the project was to examine the effectiveness of a catalytic combustion based system for elimination of VOCs while simultaneously producing electrical power for local consumption. Project specific objectives included assessment of the feasibility for using a Flex-Microturbine that generates power from natural gas while it consumes VOCs generated from site operations; development of an engineering plan for installation of the Flex-Microturbine system; operation of the micro-turbine through various changes in site and operation conditions; measurement of the VOC destruction quantitatively; and determination of the required improvements for further studies. The micro-turbine with the catalytic bed worked effectively to produce power on levels of fuel much lower than the original turbine design. The ability of the device to add or subtract supplemental fuel to augment the amount of VOC's in the inlet air flow made the device an effective replacement for a traditional flare. Concerns about particulates in the inlet flow and the presence of high sulfur concentrations with the VOC mixtures was identified as a drawback with the current catalytic design. A new microturbine design was developed based on this research that incorporates a thermal oxidizer in place of the catalytic bed for applications where particulates or contamination would limit the lifetime of the catalytic bed.

  15. Dynamics of a three-phase upflow fixed bed catalytic reactor C. Julcour, F. Stber, J. M. Le Lann, A. M. Wilhelm, H. Delmas*

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Dynamics of a three-phase upflow fixed bed catalytic reactor C. Julcour, F. Stüber, J. M. Le Lann, 31078 Toulouse Cedex, France * Corresponding author Abstract A dynamic model of an upflow fixed bed experimentally observed at very high hydrogen flow rates. Keywords: fixed bed reactor; cocurrent upflow; dynamic

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

    DOE Patents [OSTI]

    Huffman, Gerald P.

    2012-11-13T23:59:59.000Z

    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.

  17. Hydrogen Delivery Mark Paster

    E-Print Network [OSTI]

    Liquids (e.g. ethanol etc.) ­ Truck: HP Gas & Liquid Hydrogen ­ Regional Pipelines ­ Breakthrough Hydrogen;Delivery Key Challenges · Pipelines ­ Retro-fitting existing NG pipeline for hydrogen ­ Utilizing existing NG pipeline for Hythane with cost effective hydrogen separation technology ­ New hydrogen pipeline

  18. Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere

    SciTech Connect (OSTI)

    Yang, Jenny Y.; Smith, Stuart E.; Liu, Tianbiao L.; Dougherty, William G.; Hoffert, Wesley A.; Kassel, W. S.; Rakowski DuBois, Mary; DuBois, Daniel L.; Bullock, R. Morris

    2013-07-03T23:59:59.000Z

    A nickel bis(diphosphine) complex containing pendant amines in the second coordination sphere, [Ni(PCy2Nt-Bu2)2](BF4)2 (PCy2Nt-Bu2 = 1,5-di(tert-butyl)-3,7-dicyclohexyl-1,5-diaza-3,7-diphosphacyclooctane), is an electrocatalyst for hydrogen oxidation. Under 1.0 atm H2 using NEt3 as a base and with added water, a turnover frequency of 45 s-1 is observed at 23 °C; this is the fastest observed for a molecular catalyst. The addition of hydrogen to the NiII complex gives thee isomers of the doubly protonated Ni0 complex [Ni(PCy2HNt-Bu2)2](BF4)2; these complexes have been studied by 1H and 31P NMR spectroscopy, and for one isomer, an X-ray diffraction study. Using the pKa values and NiII/I and NiI/0 redox potentials in a thermochemical cycle, the free energy of hydrogen addition to [Ni(PCy2Nt-Bu2)2]2+ was determined to be -7.9 kcal mol-1. The catalytic rate observed in dry acetonitrile for the oxidation of H2 at the NiII/I couple depends on base size, with larger bases (NEt3, tert-BuNH2) resulting in slower catalysis than n-BuNH2. Addition of water accelerates the rate of catalysis, especially for the larger bases. The results of these studies provide important insights into the design of catalysts for hydrogen oxidation that facilitate proton movement and operate at moderate potentials. 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. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  19. Electron-Stimulated Production of Molecular Oxygen in Amorphous...

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

    Water on Pt(111): Precursor Transport Through the Hydrogen Electron-Stimulated Production of Molecular Oxygen in Amorphous Solid Water on Pt(111): Precursor Transport Through the...

  20. Catalytic Combustor for Fuel-Flexible Turbine

    SciTech Connect (OSTI)

    W. R. Laster; E. Anoshkina; P. Szedlacsek

    2006-03-31T23:59:59.000Z

    Under the sponsorship of the U.S. Department of Energy's National Energy Technology Laboratory, Siemens Westinghouse is conducting 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. The Phase 1 program has been completed. Phase II was initiated in October 2004. 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 (RCL{trademark}) 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 react part of the fuel, increasing the fuel/air mixture temperature. 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 catalytic concept will be demonstrated through subscale testing. Phase III will consist of full-scale combustor basket testing on natural gas and syngas.

  1. Catalytic Combustor for Fuel-Flexible Turbine

    SciTech Connect (OSTI)

    W. R. Laster; E. Anoshkina

    2008-01-31T23:59:59.000Z

    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.

  2. Catalytic Combustor for Fuel-Flexible Turbine

    SciTech Connect (OSTI)

    Laster, W. R.; Anoshkina, E.

    2008-01-31T23:59:59.000Z

    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.

  3. PUBLISHED ONLINE: 7 MARCH 2010 | DOI: 10.1038/NPHYS1605 All-optical preparation of molecular ions in the

    E-Print Network [OSTI]

    Loss, Daniel

    - tionally cooled hydrogen deuteride (HD+ ) molecular ions as a model system, we achieve 78(4)% rovibrational

  4. Hydrogen Fuel Cell Vehicles

    E-Print Network [OSTI]

    Delucchi, Mark

    1992-01-01T23:59:59.000Z

    Hydrogen Fuel Cell Vehicles UCD-ITS-RR-92-14 September bycost than both. Solar-hydrogen fuel- cell vehicles would becost than both. Solar-hydrogen fuel- cell vehicles would be

  5. President's Hydrogen Fuel Initiative

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

    Hydrogen Fuel Initiative Workshop on Manufacturing R&D for the Hydrogen Economy Washington, DC July 13, 2005 JoAnn Milliken DOE Hydrogen Program Planning U.S. Energy Dependence is...

  6. Process and apparatus for coal hydrogenation

    DOE Patents [OSTI]

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

    1991-01-01T23:59:59.000Z

    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.

  7. Sandia Hydrogen Combustion Research

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

    Hydrogen Combustion Research Sandia Hydrogen Combustion Research Sebastian A. Kaiser (PI) Sandia National Laboratories Christopher M. White University of New Hampshire Sponsor: DoE...

  8. Sandia National Laboratories: Hydrogen

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

    Hydrogen Solar Thermochemical Hydrogen Production On June 13, 2014, in SNL maintains the equipment, experts, and partnerships required to develop technology for solar...

  9. 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

  10. Hydrogen | Department of Energy

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

    Sources Hydrogen Hydrogen September 30, 2014 Developed by Sandia National Laboratories and several industry partners, the fuel cell mobile light (H2LT) offers a cleaner, quieter...

  11. Hydrogen | Department of Energy

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

    for clean energy technology manufacturers. March 28, 2014 Sales Tax Exemption for Hydrogen Generation Facilities In North Dakota, the sale of hydrogen used to power an internal...

  12. Hydrogen | Department of Energy

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

    with a catalyst of molybdenum sulfide and exposed to sunlight, these pillars generate hydrogen gas from the hydrogen ions liberated by splitting water. Each pillar is approximately...

  13. Hydrogen Sorption Center of Excellence (HSCoE) Final Report

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

    Zhechkov, L.; Heine, T.; Seifert, G. (2005). "Graphene Nanostructures as Tunable Storage Media for Molecular Hydrogen." Proc. Natl. Acad. Sci.USA (102:30) pp. 10439-10444. http:...

  14. Why Hydrogen? Hydrogen from Diverse Domestic Resources

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

    Gas Pipelines * Nuclear Energy * Office of Science Extending Collaborations * Other Federal Agencies - DOT, EPA, Others * International Collaborations Hydrogen from Diverse...

  15. 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.

    2014-09-05T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Sobolevskiy, Anatoly; Rossin, Joseph A.

    2010-06-29T23:59:59.000Z

    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 (ZrO2)SO4, 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.

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

    DOE Patents [OSTI]

    White, James H. (Boulder, CO); Schwartz, Michael (Boulder, CO); Sammells, Anthony F. (Boulder, CO)

    2000-01-01T23:59:59.000Z

    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

  18. 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.

    2008-12-17T23:59:59.000Z

    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.

  19. Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines

    SciTech Connect (OSTI)

    Weiss, Charles J.; Das, Partha Pratim; Higgins, Deanna LM; Helm, Monte L.; Appel, Aaron M.

    2014-09-05T23:59:59.000Z

    Nickel complexes were prepared with diphosphine ligands that contain pendant amines, and these complexes catalytically oxidize primary and secondary alcohols to their respective aldehydes and ketones. Kinetic and mechanistic studies of these prospective electrocatalysts were performed to understand what influences the catalytic activity. For the oxidation of diphenylmethanol, the catalytic rates were determined to be dependent on the concentration of both the catalyst and the alcohol. The catalytic rates were found to be independent of the concentration of base and oxidant. The incorporation of pendant amines to the phosphine ligand results in substantial increases in the rate of alcohol oxidation with more electron-donating substituents on the pendant amine exhibiting the fastest rates. We thank Dr. John C. Linehan, Dr. Elliott B. Hulley, Dr. Jonathan M. Darmon, and Dr. Elizabeth L. Tyson for helpful discussions. Research by CJW, PD, DLM, and AMA was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Research by MLH 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, Basic Energy Sciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

  20. Electro Catalytic Oxidation (ECO) Operation

    SciTech Connect (OSTI)

    Morgan Jones

    2011-03-31T23:59:59.000Z

    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.

  1. The market viability of nuclear hydrogen technologies.

    SciTech Connect (OSTI)

    Botterud, A.; Conzelmann, G.; Petri, M. C.; Yildiz, B.

    2007-04-06T23:59:59.000Z

    The Department of Energy Office of Nuclear Energy is supporting system studies to gain a better understanding of nuclear power's potential role in a hydrogen economy and what hydrogen production technologies show the most promise. This assessment includes identifying commercial hydrogen applications and their requirements, comparing the characteristics of nuclear hydrogen systems to those market requirements, evaluating nuclear hydrogen configuration options within a given market, and identifying the key drivers and thresholds for market viability of nuclear hydrogen options. One of the objectives of the current analysis phase is to determine how nuclear hydrogen technologies could evolve under a number of different futures. The outputs of our work will eventually be used in a larger hydrogen infrastructure and market analysis conducted for DOE-EE using a system-level market simulation tool now underway. This report expands on our previous work by moving beyond simple levelized cost calculations and looking at profitability, risk, and uncertainty from an investor's perspective. We analyze a number of technologies and quantify the value of certain technology and operating characteristics. Our model to assess the profitability of the above technologies is based on Real Options Theory and calculates the discounted profits from investing in each of the production facilities. We use Monte-Carlo simulations to represent the uncertainty in hydrogen and electricity prices. The model computes both the expected value and the distribution of discounted profits from a production plant. We also quantify the value of the option to switch between hydrogen and electricity production in order to maximize investor profits. Uncertainty in electricity and hydrogen prices can be represented with two different stochastic processes: Geometric Brownian Motion (GBM) and Mean Reversion (MR). Our analysis finds that the flexibility to switch between hydrogen and electricity leads to significantly different results in regards to the relative profitability of the different technologies and configurations. This is the case both with a deterministic and a stochastic analysis, as shown in the tables below. The flexibility in output products clearly adds substantial value to the HPE-ALWR and HTE-HTGR plants. In fact, under the GBM assumption for prices, the HTE-HTGR plant becomes more profitable than the SI-HTGR configuration, although SI-HTGR has a much lower levelized cost. For the HTE-HTGR plant it is also profitable to invest in additional electric turbine capacity (Case b) in order to fully utilize the heat from the nuclear reactor for electricity production when this is more profitable than producing hydrogen. The technologies are all at the research and development stage, so there are significant uncertainties regarding the technology cost and performance assumptions used in this analysis. As the technologies advance, the designers need to refine the cost and performance evaluation to provide a more reliable set of input for a more rigorous analysis. In addition, the durability of the catalytic activity of the materials at the hydrogen plant during repetitive price cycling is of prime importance concerning the flexibility of switching from hydrogen to electricity production. However, given the potential significant economic benefit that can be brought from cogeneration with the flexibility to quickly react to market signals, DOE should consider R&D efforts towards developing durable materials and processes that can enable this type of operation. Our future work will focus on analyzing a range of hydrogen production technologies associated with an extension of the financial analysis framework presented here. We are planning to address a variety of additional risks and options, such as the value of modular expansion in addition to the co-generation capability (i.e., a modular increase in the hydrogen production capacity of a plant in a given market with rising hydrogen demand), and contrast that with economies-of-scale of large-unit designs.

  2. Porous Core-Shell Nanostructures for Catalytic Applications

    E-Print Network [OSTI]

    Ewers, Trevor David

    2012-01-01T23:59:59.000Z

    C.Y Mou. Catalytic nano-rattle of Au@ hollow silica: towardshollow nanostructures induced by the Kirkendall effect: The basic concept. NanoHollow mesoporous aluminosilica spheres with perpendicular pore channels as catalytic nanoreactors. ACS Nano,

  3. Structural Insight into the Mechanism of Substrate Specificity and Catalytic Activity of an HD-Domain Phosphohydrolase: The 5;#8242;-Deoxyribonucleotidase YfbR from Escherichia coli

    SciTech Connect (OSTI)

    Zimmerman, Matthew D.; Proudfoot, Michael; Yakunin, Alexander; Minor, Wladek (Toronto); (UV)

    2011-08-16T23:59:59.000Z

    HD-domain phosphohydrolases have nucleotidase and phosphodiesterase activities and play important roles in the metabolism of nucleotides and in signaling. We present three 2.1-{angstrom}-resolution crystal structures (one in the free state and two complexed with natural substrates) of an HD-domain phosphohydrolase, the Escherichia coli 5'-nucleotidase YfbR. The free-state structure of YfbR contains a large cavity accommodating the metal-coordinating HD motif (H33, H68, D69, and D137) and other conserved residues (R18, E72, and D77). Alanine scanning mutagenesis confirms that these residues are important for activity. Two structures of the catalytically inactive mutant E72A complexed with Co{sup 2+} and either thymidine-5'-monophosphate or 2'-deoxyriboadenosine-5'-monophosphate disclose the novel binding mode of deoxyribonucleotides in the active site. Residue R18 stabilizes the phosphate on the Co{sup 2+}, and residue D77 forms a strong hydrogen bond critical for binding the ribose. The indole side chain of W19 is located close to the 2'-carbon atom of the deoxyribose moiety and is proposed to act as the selectivity switch for deoxyribonucleotide, which is supported by comparison to YfdR, another 5'-nucleotidase in E. coli. The nucleotide bases of both deoxyriboadenosine-5'-monophosphate and thymidine-5'-monophosphate make no specific hydrogen bonds with the protein, explaining the lack of nucleotide base selectivity. The YfbR E72A substrate complex structures also suggest a plausible single-step nucleophilic substitution mechanism. This is the first proposed molecular mechanism for an HD-domain phosphohydrolase based directly on substrate-bound crystal structures.

  4. Carbon Aerogels for Hydrogen Storage

    SciTech Connect (OSTI)

    Baumann, T F; Worsley, M; Satcher, J H

    2008-08-11T23:59:59.000Z

    This effort is focused on the design of new nanostructured carbon-based materials that meet the DOE 2010 targets for on-board vehicle hydrogen storage. Carbon aerogels (CAs) are a unique class of porous materials that possess a number of desirable structural features for the storage of hydrogen, including high surface areas (over 3000 m{sup 2}/g), continuous and tunable porosities, and variable densities. In addition, the flexibility associated with CA synthesis allows for the incorporation of modifiers or catalysts into the carbon matrix in order to alter hydrogen sorption enthalpies in these materials. Since the properties of the doped CAs can be systematically modified (i.e. amount/type of dopant, surface area, porosity), novel materials can be fabricated that exhibit enhanced hydrogen storage properties. We are using this approach to design new H{sub 2} sorbent materials that can storage appreciable amounts of hydrogen at room temperature through a process known as hydrogen spillover. The spillover process involves the dissociative chemisorption of molecular hydrogen on a supported metal catalyst surface (e.g. platinum or nickel), followed by the diffusion of atomic hydrogen onto the surface of the support material. Due to the enhanced interaction between atomic hydrogen and the carbon support, hydrogen can be stored in the support material at more reasonable operating temperatures. While the spillover process has been shown to increase the reversible hydrogen storage capacities at room temperature in metal-loaded carbon nanostructures, a number of issues still exist with this approach, including slow kinetics of H{sub 2} uptake and capacities ({approx} 1.2 wt% on carbon) below the DOE targets. The ability to tailor different structural aspects of the spillover system (i.e. the size/shape of the catalyst particle, the catalyst-support interface and the support morphology) should provide valuable mechanistic information regarding the critical aspects of the spillover process (i.e. kinetics of hydrogen dissociation, diffusion and recombination) and allow for optimization of these materials to meet the DOE targets for hydrogen storage. In a parallel effort, we are also designing CA materials as nanoporous scaffolds for metal hydride systems. Recent work by others has demonstrated that nanostructured metal hydrides show enhanced kinetics for reversible hydrogen storage relative to the bulk materials. This effect is diminished, however, after several hydriding/dehydriding cycles, as the material structure coarsens. Incorporation of the metal hydride into a porous scaffolding material can potentially limit coarsening and, therefore, preserve the enhanced kinetics and improved cycling behavior of the nanostructured metal hydride. Success implementation of this approach, however, requires the design of nanoporous solids with large accessible pore volumes (> 4 cm{sup 3}/g) to minimize the gravimetric and volumetric capacity penalties associated with the use of the scaffold. In addition, these scaffold materials should be capable of managing thermal changes associated with the cycling of the incorporated metal hydride. CAs are promising candidates for the design of such porous scaffolds due to the large pore volumes and tunable porosity of aerogel framework. This research is a joint effort with HRL Laboratories, a member of the DOE Metal Hydride Center of Excellence. LLNL's efforts have focused on the design of new CA materials that can meet the scaffolding requirements, while metal hydride incorporation into the scaffold and evaluation of the kinetics and cycling performance of these composites is performed at HRL.

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

    SciTech Connect (OSTI)

    Greenbaum, E.; Lee, J.W. [Oak Ridge National Lab., TN (United States). Chemical Technology Div.

    1997-12-31T23:59:59.000Z

    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%.

  6. 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 ace027peden2011...

  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 ace027peden2012...

  8. 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. ace027peden2010o...

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

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

    09 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. acep02peden...

  10. Gaseous Hydrogen Delivery Breakout - Strategic Directions for...

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

    Gaseous Hydrogen Delivery Breakout - Strategic Directions for Hydrogen Delivery Workshop Gaseous Hydrogen Delivery Breakout - Strategic Directions for Hydrogen Delivery Workshop...

  11. NATIONAL HYDROGEN ENERGY ROADMAP

    E-Print Network [OSTI]

    NATIONAL HYDROGEN ENERGY ROADMAP NATIONAL HYDROGEN ENERGY ROADMAP . . Toward a More Secure and Cleaner Energy Future for America Based on the results of the National Hydrogen Energy Roadmap Workshop to make it a reality. This Roadmap provides a framework that can make a hydrogen economy a reality

  12. Safetygram #9- Liquid Hydrogen

    Broader source: Energy.gov [DOE]

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

  13. Hydrogen, Fuel Cells, and Infrastructure Technologies FY 2003 Progress Report Acronyms and Abbreviations

    E-Print Network [OSTI]

    Expander Motor/ Continuous Emissions Monitoring CERMET Ceramic and Metal CESI Catalytic Energy Systems Inc America, Inc., covers GDLs and GDEs EMF Electromagnetic Field EMI Electromagnetic Interference EMPA of Rubrivivax Gelatinosus CCH Complex Compound Hydride CCHS Complex Compound Hydrogen Storage System CCM

  14. Formation of Hydrogen, Oxygen, and Hydrogen Peroxide in Electron Irradiated Crystalline Water Ice

    E-Print Network [OSTI]

    Weijun Zheng; David Jewitt; Ralf I. Kaiser

    2005-11-18T23:59:59.000Z

    Water ice is abundant both astrophysically, for example in molecular clouds, and in planetary systems. The Kuiper belt objects, many satellites of the outer solar system, the nuclei of comets and some planetary rings are all known to be water-rich. Processing of water ice by energetic particles and ultraviolet photons plays an important role in astrochemistry. To explore the detailed nature of this processing, we have conducted a systematic laboratory study of the irradiation of crystalline water ice in an ultrahigh vacuum setup by energetic electrons holding a linear energy transfer of 4.3 +/- 0.1 keV mm-1. The irradiated samples were monitored during the experiment both on line and in situ via mass spectrometry (gas phase) and Fourier transform infrared spectroscopy (solid state). We observed the production of hydrogen and oxygen, both molecular and atomic, and of hydrogen peroxide. The likely reaction mechanisms responsible for these species are discussed. Additional formation routes were derived from the sublimation profiles of molecular hydrogen (90-140 K), molecular oxygen (147 -151 K) and hydrogen peroxide (170 K). We also present evidence on the involvement of hydroxyl radicals and possibly oxygen atoms as building blocks to yield hydrogen peroxide at low temperatures (12 K) and via a diffusion-controlled mechanism in the warming up phase of the irradiated sample.

  15. Neutron Diffraction and Neutron Vibrational Spectroscopy Studies of Hydrogen Adsorption in the Prussian Blue Analogue

    E-Print Network [OSTI]

    The transition to an energy infrastructure based upon hydrogen as an energy carrier is critically dependent uponNeutron Diffraction and Neutron Vibrational Spectroscopy Studies of Hydrogen Adsorption, Berkeley, California 94720-1460 ReceiVed April 13, 2006 The adsorption of molecular hydrogen

  16. Atomic hydrogen interactions with amorphous carbon thin films Bhavin N. Jariwala,1

    E-Print Network [OSTI]

    Ciobanu, Cristian

    Atomic hydrogen interactions with amorphous carbon thin films Bhavin N. Jariwala,1 Cristian V-scale interactions of H atoms with hydrogenated amorphous carbon a-C:H films were identified using molecular dynamics through a detailed analysis of the MD trajectories. The MD simulations showed that hydrogenation occurs

  17. Atomic-scale investigations of the struct. and dynamics of complex catalytic materials

    SciTech Connect (OSTI)

    Karl Sohlberg, Drexel University

    2007-05-16T23:59:59.000Z

    By some accounts, catalysis impacts ? 30% of GDP in developed countries [Maxwell, I. E. Nature 394, 325-326 (1998)]. Catalysis is the enabling technology for petroleum production, for control of gaseous emissions from petroleum combustion, and for the production of industrial and consumer chemicals. Future applications of catalysis are potentially even more far reaching. There is an ever-growing need to move the economy from a fossil-fuel energy base to cleaner alternatives. Hydrogen-based combustion systems and fuel cells could play a dominant role, given a plentiful and inexpensive source of hydrogen. Photocatalysis is the most promising clean technology for hydrogen production, relying solely on water and sunlight, but performance enhancements in photocatalysis are needed to make this technology economically competitive. Given the enormously wide spread utilization of catalysts, even incremental performance enhancements would have far-reaching benefits for multiple end-use sectors. In the area of fuel and chemical production, such improvements would translate into vast reductions in energy consumption. At the consumption end, improvements in the catalysts involved would yield tremendous reductions in pollution. In the area of photocatalysis, such efficiency improvements could finally render hydrogen an economically viable fuel. Prerequisite to the non-empirical design and refinement of improved catalysts is the identification of the atomic-scale structure and properties of the catalytically active sites. This has become a major industrial research priority. The focus of this research program was to combine atomic-resolution Z-contrast electron microscopy with first-principles density functional theory calculations to deliver an atomic-scale description of heterogeneous catalytic systems that could form the basis for non-empirical design of improved catalysts with greater energy efficiency.

  18. Method and apparatus for a catalytic firebox reactor

    DOE Patents [OSTI]

    Smith, Lance L. (North Haven, CT); Etemad, Shahrokh (Trumbull, CT); Ulkarim, Hasan (Hamden, CT); Castaldi, Marco J. (Bridgeport, CT); Pfefferle, William C. (Madison, CT)

    2001-01-01T23:59:59.000Z

    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.

  19. 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...

  20. 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.

  1. 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...

  2. DOE Hydrogen and Fuel Cells Program Record 5037: Hydrogen Storage...

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

    5037: Hydrogen Storage Materials - 2004 vs. 2006 DOE Hydrogen and Fuel Cells Program Record 5037: Hydrogen Storage Materials - 2004 vs. 2006 This program record from the Department...

  3. Hydrogen Supply: Cost Estimate for Hydrogen Pathways-Scoping...

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

    Supply: Cost Estimate for Hydrogen Pathways-Scoping Analysis. January 22, 2002-July 22, 2002 Hydrogen Supply: Cost Estimate for Hydrogen Pathways-Scoping Analysis. January 22,...

  4. Improved Hydrogen Storage Performance of MgH2-LiAlH4 Composite by Addition of MnFe2O4

    E-Print Network [OSTI]

    Volinsky, Alex A.

    Improved Hydrogen Storage Performance of MgH2-LiAlH4 Composite by Addition of MnFe2O4 Qi Wan, Ping States *S Supporting Information ABSTRACT: The catalytic effects of MnFe2O4 nanoparticles on the hydrogen storage properties of MgH2-LiAlH4, prepared by ball milling, are studied for the first time. The hydrogen

  5. Correlations between surface structure and catalytic activity/selectivity. Progress report, January 1, 1992--December 31, 1992

    SciTech Connect (OSTI)

    Goodman, D.W.

    1992-10-01T23:59:59.000Z

    Objective is to address the keys to understanding the relation between surface structure and catalytic activity/selectivity. Of concern are questions related to enhanced catalytic properties of mixed-metal catalysts and critical active site requirements for molecular synthesis and rearrangement. The experimental approach utilizes a microcatalytic reactor contiguous to a surface analysis system, an arrangement which allows in vacuo transfer of the catalyst from one chamber to the other. Surface techniques being used include Auger (AES), UV and X-ray photoemission spectroscopy (UPS and XPS), temperature programmed desorption (TPD), low energy electron diffraction (LEED), high resolution electron energy loss spectroscopy (HREELS) and infrared reflection-absorption spectroscopy (IRAS). Our research program builds upon our previous experience relating the results of single crystal kinetic measurements with the results obtained with supported analogs. As well we are exploiting our recent work on the preparation, the characterization, and the determination of the catalytic properties of ultra-thin metal and metal oxide films. The program is proceeding toward the study of the unique catalytic properties of ultrathin metal films; the investigation of the critical ensemble size requirements for principal catalytic reaction types; and the modelling of supported catalysts using ultra-thin planar oxide surfaces.

  6. Catalytic co-processing of coal with bitumen and bitumen derived liquids

    SciTech Connect (OSTI)

    Chakma, A.; Zaman, J. [Univ. of Calgary, Alberta (Canada)

    1993-12-31T23:59:59.000Z

    Experimental studies on the co-processing of coal with bitumen and bitumen derived liquids are described. A subbituminous coal was coprocessed with Athabasca bitumen and its various liquid fractions in a batch autoclave under hydrogen pressure at reaction temperatures varying from 400 to 440{degrees}C. Both thermal and catalytic coprocessing experiments were conducted. The catalysts used were molten halide type and included ZnCl{sub 2}, MoCl{sub 5}, KCl, CuCl, and SnCl{sub 2}. Higher reaction temperature resulted in higher conversion of asphaltenes into both maltenes and coke and gases. As a result the H/C atomic ratio of the unconverted asphaltenes decreased with temperature. Higher reaction time on the other hand allowed maltenes to be converted to asphaltenes. While all the catalysts tested had catalytic effects on asphaltene conversion, MoCl{sub 5} was found to provide the highest conversion of asphaltenes due to its ability to hydrogenate the radicals formed due to asphaltene cracking. Processing of coal with bitumen derived liquids provided higher yields than those obtained with virgin bitumen. The H/C ratios were also higher for the products obtained with bitumen derived liquids.

  7. Evidence For The Production Of Slow Antiprotonic Hydrogen In Vacuum

    E-Print Network [OSTI]

    N. Zurlo; M. Amoretti; C. Amsler; G. Bonomi; C. Carraro; C. L. Cesar; M. Charlton; M. Doser; A. Fontana; R. Funakoshi; P. Genova; R. S. Hayano; L. V. Jorgensen; A. Kellerbauer; V. Lagomarsino; R. Landua; E. Lodi Rizzini; M. Macrì; N. Madsen; G. Manuzio; D. Mitchard; P. Montagna; L. G. Posada; H. Pruys; C. Regenfus; A. Rotondi; G. Testera; D. P. Van der Werf; A. Variola; L. Venturelli; Y. Yamazaki

    2007-08-28T23:59:59.000Z

    We present evidence showing how antiprotonic hydrogen, the quasistable antiproton-proton (pbar-p) bound system, has been synthesized following the interaction of antiprotons with the hydrogen molecular ion (H2+) in a nested Penning trap environment. From a careful analysis of the spatial distributions of antiproton annihilation events, evidence is presented for antiprotonic hydrogen production with sub-eV kinetic energies in states around n=70, and with low angular momenta. The slow antiprotonic hydrogen may be studied using laser spectroscopic techniques.

  8. Incorporating Peptides in the Outer Coordination Sphere of Bio-inspired Electrocatalysts for Hydrogen Production

    SciTech Connect (OSTI)

    Jain, Avijita; Lense, Sheri; Linehan, John C.; Raugei, Simone; Cho, Herman M.; DuBois, Daniel L.; Shaw, Wendy J.

    2011-04-01T23:59:59.000Z

    Four new cyclic 1,5-diaza-3,7-diphosphacyclooctane ligands have been prepared and used to synthesize [Ni(PPh2NR2)2]2+ complexes in which R is a mono- or dipeptide. These complexes represent a first step in developing an outer coordination sphere for this class of complexes that can mimic the outer coordination sphere of the active sites of hydrogenase enzymes. Importantly, these complexes retain the electrocatalytic activity of the parent [Ni(PPh2NPh2)2]2+ complex in acetonitrile solution with turnover frequencies (TOF) for hydrogen production ranging from 14 to 25 s-1 in the presence of p-cyanoanilinium trifluoromethanesulphonic acid and 135-1000 s-1 in the presence of triflic acid salt of protonated dimethylformamide, with moderately low overpotentials, ~0.3 V. The addition of small amounts of water result in rate increases of 5-7 times. Unlike the parent complex, these complexes demonstrate dynamic structural transformations in solution whereby the dipeptide tail interacts with the nickel center. These results establish a building block from which larger peptide scaffolding can be added to allow the [Ni(PR2NR’2)2]2+ molecular catalytic core to begin to mimic the multifunctional outer coordination sphere of enzymes. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  9. Hydrogen energy systems studies

    SciTech Connect (OSTI)

    Ogden, J.M.; Kreutz, T.G.; Steinbugler, M. [Princeton Univ., NJ (United States)] [and others

    1996-10-01T23:59:59.000Z

    In this report the authors describe results from technical and economic assessments carried out during the past year with support from the USDOE Hydrogen R&D Program. (1) Assessment of technologies for small scale production of hydrogen from natural gas. Because of the cost and logistics of transporting and storing hydrogen, it may be preferable to produce hydrogen at the point of use from more readily available energy carriers such as natural gas or electricity. In this task the authors assess near term technologies for producing hydrogen from natural gas at small scale including steam reforming, partial oxidation and autothermal reforming. (2) Case study of developing a hydrogen vehicle refueling infrastructure in Southern California. Many analysts suggest that the first widespread use of hydrogen energy is likely to be in zero emission vehicles in Southern California. Several hundred thousand zero emission automobiles are projected for the Los Angeles Basin alone by 2010, if mandated levels are implemented. Assuming that hydrogen vehicles capture a significant fraction of this market, a large demand for hydrogen fuel could evolve over the next few decades. Refueling a large number of hydrogen vehicles poses significant challenges. In this task the authors assess near term options for producing and delivering gaseous hydrogen transportation fuel to users in Southern California including: (1) hydrogen produced from natural gas in a large, centralized steam reforming plant, and delivered to refueling stations via liquid hydrogen truck or small scale hydrogen gas pipeline, (2) hydrogen produced at the refueling station via small scale steam reforming of natural gas, (3) hydrogen produced via small scale electrolysis at the refueling station, and (4) hydrogen from low cost chemical industry sources (e.g. excess capacity in refineries which have recently upgraded their hydrogen production capacity, etc.).

  10. The Bumpy Road to Hydrogen

    E-Print Network [OSTI]

    Sperling, Dan; Ogden, Joan M

    2006-01-01T23:59:59.000Z

    will trump hydrogen and fuel cell vehicles. Advocates ofbenefits sooner than hydrogen and fuel cells ever could.emissions from a hydrogen fuel cell vehicle will be about

  11. Liquid Hydrogen Absorber for MICE

    E-Print Network [OSTI]

    Ishimoto, S.

    2010-01-01T23:59:59.000Z

    REFERENCES Figure 5: Liquid hydrogen absorber and test6: Cooling time of liquid hydrogen absorber. Eight CernoxLIQUID HYDROGEN ABSORBER FOR MICE S. Ishimoto, S. Suzuki, M.

  12. Hydrogen Bus Technology Validation Program

    E-Print Network [OSTI]

    Burke, Andy; McCaffrey, Zach; Miller, Marshall; Collier, Kirk; Mulligan, Neal

    2005-01-01T23:59:59.000Z

    and evaluate hydrogen enriched natural gas (HCNG) enginewas to demonstrate that hydrogen enriched natural gas (HCNG)characteristics of hydrogen enriched natural gas combustion,

  13. Hydrogen in semiconductors and insulators

    E-Print Network [OSTI]

    Van de Walle, Chris G.

    2007-01-01T23:59:59.000Z

    the electronic level of hydrogen (thick red bar) was notdescribing the behavior of hydrogen atoms as impuritiesenergy of interstitial hydrogen as a function of Fermi level

  14. 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)

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

    2014-03-14T23:59:59.000Z

    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.

  15. Catalytic fast pyrolysis of lignocellulosic biomass

    SciTech Connect (OSTI)

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

    2014-11-21T23:59:59.000Z

    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.

  16. Catalytic extraction processing of contaminated scrap metal

    SciTech Connect (OSTI)

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

    1995-12-01T23:59:59.000Z

    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.

  17. Preface: Challenges for Catalytic Exhaust Aftertreatment

    SciTech Connect (OSTI)

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

    2014-03-31T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2003-09-30T23:59:59.000Z

    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.

  19. Hydrogen Delivery Technologies and Pipeline Transmission of Hydrogen

    E-Print Network [OSTI]

    Hydrogen Delivery Technologies and Systems Pipeline Transmission of Hydrogen Strategic Initiatives, and Infrastructure Technologies Program #12;Pipeline Transmission of Hydrogen --- 2 Copyright: Design & Operation development) #12;Pipeline Transmission of Hydrogen --- 3 Copyright: Future H2 Infrastructure Wind Powered

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

    SciTech Connect (OSTI)

    Chen, Jianqing [Hohai University, China; Yang, Donghui [Hohai University, China; Song, Dan [Hohai University, China; Jiang, Jinghua [Hohai University, China; Ma, Aibin [Hohai University, China; Hu, Michael Z. [ORNL; Ni, Chaoying [University of Delaware

    2015-01-01T23:59:59.000Z

    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.

  1. Gaseous Hydrogen Delivery Breakout- Strategic Directions for Hydrogen Delivery Workshop

    Broader source: Energy.gov [DOE]

    Targets, barriers and research and development priorities for gaseous delivery of hydrogen through hydrogen and natural gas pipelines.

  2. Gaseous Hydrogen Delivery Breakout

    E-Print Network [OSTI]

    Gaseous Hydrogen Delivery Breakout Strategic Directions for Hydrogen Delivery Workshop May 7 detection Pipeline Safety: odorants, flame visibility Compression: cost, reliability #12;Breakout Session goal of a realistic, multi-energy distribution network model Pipeline Technology Improved field

  3. Hydrogen transport membranes

    DOE Patents [OSTI]

    Mundschau, Michael V.

    2005-05-31T23:59:59.000Z

    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.

  4. Hydrogen Fuel Quality (Presentation)

    SciTech Connect (OSTI)

    Ohi, J.

    2007-05-17T23:59:59.000Z

    Jim Ohi of NREL's presentation on Hydrogen Fuel Quality at the 2007 DOE Hydrogen Program Annual Merit Review and Peer Evaluation on May 15-18, 2007 in Arlington, Virginia.

  5. Onboard Plasmatron Hydrogen Production for Improved Vehicles

    SciTech Connect (OSTI)

    Daniel R. Cohn; Leslie Bromberg; Kamal Hadidi

    2005-12-31T23:59:59.000Z

    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.

  6. Questions and Issues on Hydrogen Pipeline Transmission of Hydrogen

    E-Print Network [OSTI]

    Questions and Issues on Hydrogen Pipelines Pipeline Transmission of Hydrogen Doe Hydrogen Pipeline Working Group Meeting August 31, 2005 #12;Pipeline Transmission of Hydrogen --- 2 Copyright: Air Liquide Transmission of Hydrogen --- 3 Copyright: #12;Pipeline Transmission of Hydrogen --- 4 Copyright: 3. Special

  7. Webinar: Hydrogen Refueling Protocols

    Broader source: Energy.gov [DOE]

    Video recording and text version of the webinar titled, Hydrogen Refueling Protocols, originally presented on February 22, 2013.

  8. Hydrogen Technologies Safety Guide

    SciTech Connect (OSTI)

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

    2015-01-01T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Suna, Yuki [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Fujita, Etsuko [Brookhaven National Lab. (BNL), Upton, NY (United States); Ertem, Mehmed Z. [Brookhaven National Lab. (BNL), Upton, NY (United States); Wang, Wan-Hui [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Japan Science and Technology Agency, Honcho, Kawaguchi, Saitama (Japan); Univ. of Technology, Panjin (China); Kambayashi, Hide [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Manaka, Yuichi [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Muckerman, James T. [Brookhaven National Lab. (BNL), Upton, NY (United States); Himeda, Yuichiro [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Japan Science and Technology Agency, Honcho, Kawaguchi, Saitama (Japan)

    2014-11-24T23:59:59.000Z

    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 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.

  10. Sensitive hydrogen leak detector

    DOE Patents [OSTI]

    Myneni, Ganapati Rao (Yorktown, VA)

    1999-01-01T23:59:59.000Z

    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.

  11. Hydrogen Delivery Liquefaction and Compression

    Broader source: Energy.gov [DOE]

    Hydrogen Delivery Liquefaction and Compression - Overview of commercial hydrogen liquefaction and compression and opportunities to improve efficiencies and reduce cost.

  12. Catalytic hydrocarbon reactions over supported metal oxides. Progress report, April 1, 1994--January 31, 1995

    SciTech Connect (OSTI)

    Ekerdt, J.G.

    1995-01-31T23:59:59.000Z

    Oxide catalysis plays a central role in hydrocarbon processing and improvements in catalytic activity or selectivity are of great technological importance because these improvements will translate directly into more efficient utilization of hydrocarbon supplies and lower energy consumption in separation processes. An understanding of the relationships between surface structure and catalytic properties is needed to describe and improve oxide catalysts. Our approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. Our current research program is focused on studying the fundamental relationships between structure and reactivity for two important reactions that are present in many oxide-catalyzed processes, partial oxidation and carbon-carbon bond formation. Oxide catalysis can be a complex process with both metal cation and oxygen anions participating in the chemical reactions. From an energy perspective carbon-carbon bond formation is particularly relevant to CO hydrogenation in isosynthesis. Hydrogenolysis and hydrogenation form the basis for heteroatom removal in fuels processing. Understanding the catalysis of these processes (and others) requires isolating reaction steps in the overall cycle and determining how structure and composition influence the individual reaction steps. Specially designed oxides, such as we use, permit one to study some of the steps in oxidation, carbon-carbon coupling and heteroatom removal catalysis. During the course of our studies we have: (1) developed methods to form and stabilize various Mo and W oxide structures on silica; (2) studied C-H abstraction reactions over the fully oxidized cations; (3) studied C-C bond coupling by methathesis and reductive coupling of aldehydes and ketones over reduced cation structures; and (4) initiated a study of hydrogenation and hydrogenolysis over reduced cation structures.

  13. Evidence for an RNA-based catalytic mechanism in eukaryotic nuclear ribonuclease P.

    E-Print Network [OSTI]

    Thoms, Brian C; Chamberlain, Joel; Engelke, David R; Gegenheimer, Peter Albert

    2000-01-01T23:59:59.000Z

    neighbor is itali- cized+) Inspection of Figure 4 shows that these oligo- nucleotides could result only from cleavage at the normal RNase P site, –ApUp21Afp11GpC– for pre-G1Phe and –ApUp 21Afp11ApC– for pre-A1Phe+ In contrast, RNase P treatment...Evidence for an RNA-based catalytic mechanism in eukaryotic nuclear ribonuclease P BRIAN C. THOMAS,1,2,5 JOEL CHAMBERLAIN,3,6 DAVID R. ENGELKE,3,4 and PETER GEGENHEIMER1,2 1Department of Molecular Biosciences, The University of Kansas, 2045 Haworth...

  14. Anti-Hydrogen Jonny Martinez

    E-Print Network [OSTI]

    Budker, Dmitry

    Anti-Hydrogen Jonny Martinez University of California, Berkeley #12;OUTLINE WHAT IS ANTI-HYDROGEN? HISTORY IMPORTANCE THEORY HOW TO MAKE ANTI-HYDROGEN OTHER ANTI-MATTER EXPERIMENTS CONCLUSION #12;WHAT IS ANTI-HYDROGEN? Anti-hydrogen is composed of a Positron(anti-electron) and anti-Proton. Anti-Hydrogen

  15. Hydrogen separation process

    DOE Patents [OSTI]

    Mundschau, Michael (Longmont, CO); Xie, Xiaobing (Foster City, CA); Evenson, IV, Carl (Lafayette, CO); Grimmer, Paul (Longmont, CO); Wright, Harold (Longmont, CO)

    2011-05-24T23:59:59.000Z

    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.

  16. Piloted rich-catalytic lean-burn hybrid combustor

    DOE Patents [OSTI]

    Newburry, Donald Maurice (Orlando, FL)

    2002-01-01T23:59:59.000Z

    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.

  17. Catalytic Consequences of Acid Strength in the Conversion of...

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

    Consequences of Acid Strength in the Conversion of Methanol to Dimethyl Ether. Catalytic Consequences of Acid Strength in the Conversion of Methanol to Dimethyl Ether. Abstract:...

  18. Catalyst Cartography: 3D Super-Resolution Mapping of Catalytic...

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

    an individual catalytic nanoparticle while reactions are occurring. Catalysts are used in manufacturing everything from stain remover to rocket fuel; they make production more...

  19. Improved Low-Temperature Performance of Catalytic Converters...

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

    Catalytic converters, installed on vehicles with internal combustion and diesel engines, convert the toxic byproducts of combustion to less toxic compounds. In two-way (lean...

  20. 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.

    1999-04-13T23:59:59.000Z

    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.

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

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

    the catalytic conversion of solubilized carbohydrate streams to hydrocarbon biofuels, utilizing data from recent efforts within the National Advanced Biofuels Consortium...

  2. The Effects of Trace Contaminants on Catalytic Processing of...

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

    Processing of Biomass-Derived Feedstocks . Abstract: Trace components in biomass feedstocks are potential catalyst poisons when catalytically processing these materials to...

  3. Method for producing hydrogen

    SciTech Connect (OSTI)

    Preston, J.L.

    1980-02-26T23:59:59.000Z

    In a method for producing high quality hydrogen, the carbon monoxide level of a hydrogen stream which also contains hydrogen sulfide is shifted in a bed of iron oxide shift catalyst to a desired low level of carbon monoxide using less catalyst than the minimum amount of catalyst which would otherwise be required if there were no hydrogen sulfide in the gas stream. Under normal operating conditions the presence of even relatively small amounts of hydrogen sulfide can double the activity of the catalyst such that much less catalyst may be used to do the same job.

  4. Effect of surface structure on catalytic reactions: A sum frequency generation surface vibrational spectroscopy study

    SciTech Connect (OSTI)

    McCrea, Keith R.

    2001-09-07T23:59:59.000Z

    In the results discussed above, it is clear that Sum Frequency Generation (SFG) is a unique tool that allows the detection of vibrational spectra of adsorbed molecules present on single crystal surfaces under catalytic reaction conditions. Not only is it possible to detect active surface intermediates, it is also possible to detect spectator species which are not responsible for the measured turnover rates. By correlating high-pressure SFG spectra under reaction conditions and gas chromatography (GC) kinetic data, it is possible to determine which species are important under reaction intermediates. Because of the flexibility of this technique for studying surface intermediates, it is possible to determine how the structures of single crystal surfaces affect the observed rates of catalytic reactions. As an example of a structure insensitive reaction, ethylene hydrogenation was explored on both Pt(111) and Pt(100). The rates were determined to be essentially the same. It was observed that both ethylidyne and di-{sigma} bonded ethylene were present on the surface under reaction conditions on both crystals, although in different concentrations. This result shows that these two species are not responsible for the measured turnover rate, as it would be expected that one of the two crystals would be more active than the other, since the concentration of the surface intermediate would be different on the two crystals. The most likely active intermediates are weakly adsorbed molecules such as {pi}-bonded ethylene and ethyl. These species are not easily detected because their concentration lies at the detection limit of SFG. The SFG spectra and GC data essentially show that ethylene hydrogenation is structure insensitive for Pt(111) and Pt(100). SFG has proven to be a unique and excellent technique for studying adsorbed species on single crystal surfaces under high-pressure catalytic reactions. Coupled with kinetic data obtained from gas chromatography measurements, it can give much insight into how the structure of a single crystal surface affects the chemistry of a catalytic reaction by detecting surface species under reaction conditions.

  5. Thin film porous membranes for catalytic sensors

    SciTech Connect (OSTI)

    Hughes, R.C.; Boyle, T.J.; Gardner, T.J. [and others

    1997-06-01T23:59:59.000Z

    This paper reports on new and surprising experimental data for catalytic film gas sensing resistors coated with nanoporous sol-gel films to impart selectivity and durability to the sensor structure. This work is the result of attempts to build selectivity and reactivity to the surface of a sensor by modifying it with a series of sol-gel layers. The initial sol-gel SiO{sub 2} layer applied to the sensor surprisingly showed enhanced O{sub 2} interaction with H{sub 2} and reduced susceptibility to poisons such as H{sub 2}S.

  6. Catalytic Solutions Inc CSI | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:EzfeedflagBiomassSustainableCSLInformationMissouri:Catalyst Regeneration MarketCatalytic

  7. BioCatalytics | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnualProperty EditCalifornia: EnergyAvignon,Belcher Homes JumpMaintenance |BigBigLakeBioCatalytics

  8. HYDROGEN USAGE AND STORAGE

    E-Print Network [OSTI]

    It is thought that it will be useful to inform society and people who are interested in hydrogen energy. The study below has been prepared due to this aim can be accepted as an article to exchange of information between people working on this subject. This study has been presented to reader to be utilized as a “technical note”. Main Energy sources coal, petroleum and natural gas are the fossil fuels we use today. They are going to be exhausted since careless usage in last decades through out the world, and human being is going to face the lack of energy sources in the near future. On the other hand as the fossil fuels pollute the environment makes the hydrogen important for an alternative energy source against to the fossil fuels. Due to the slow progress in hydrogen’s production, storage and converting into electrical energy experience, extensive usage of Hydrogen can not find chance for applications in wide technological practices. Hydrogen storage stands on an important point in the development of Hydrogen energy Technologies. Hydrogen is volumetrically low energy concentration fuel. Hydrogen energy, to meet the energy quantity necessary for the nowadays technologies and to be accepted economically and physically against fossil fuels, Hydrogen storage technologies have to be developed in this manner. Today the most common method in hydrogen storage may be accepted as the high pressurized composite tanks. Hydrogen is stored as liquid or gaseous phases. Liquid hydrogen phase can be stored by using composite tanks under very high pressure conditions. High technology composite material products which are durable to high pressures, which should not be affected by hydrogen embrittlement and chemical conditions.[1

  9. Integrating catalytic coal gasifiers with solid oxide fuel cells

    SciTech Connect (OSTI)

    Siefert, N.; Shamsi, A.; Shekhawat, D.; Berry, D.

    2010-01-01T23:59:59.000Z

    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.

  10. Final Report: Investigation of Catalytic Pathways for Lignin Breakdown into Monomers and Fuels

    SciTech Connect (OSTI)

    Gluckstein, Jeffrey A [ORNL; Hu, Michael Z. [ORNL; Kidder, Michelle [ORNL; McFarlane, Joanna [ORNL; Narula, Chaitanya Kumar [ORNL; Sturgeon, Matthew R [ORNL

    2010-12-01T23:59:59.000Z

    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.

  11. PILLARED CLAYS AS SUPERIOR CATALYSTS FOR SELECTIVE CATALYTIC REDUCTION OF NITRIC OXIDE

    SciTech Connect (OSTI)

    R. Q. LONG; R.T. YANG

    1998-09-30T23:59:59.000Z

    Selective catalytic reduction (SCR) of NO{sub x} by hydrocarbons was investigated on Pt doped MCM-41 and copper ion and/or cerium ion-exchanged Al-MCM-41 in the presence of excess oxygen. It was found that Pt/MCM-41 provided the highest specific NO reduction rates as compared with other Pt doped catalysts reported in the literature, such as Pt/Al{sub 2}O{sub 3} and Pt/ZSM-5. For different hydrocarbons, the catalytic activity decreased according to the sequence of C{sub 3}H{sub 6} {approx} C{sub 2}H{sub 4} >> C{sub 3}H{sub 8} > CH{sub 4}. This catalyst was also stable in the presence of H{sub 2}O and SO{sub 2}. Cu exchanged Al-MCM-41 and cerium promoted Cu-Al-MCM-41 (i.e., Ce-Cu-Al-MCM-41) were also found to be active in this reaction. Higher NO{sub x} conversions to N2 were obtained on the Ce-Cu-Al-MCM-41 as compared with Cu-Al-MCM-41. The activity of Ce-Cu-Al-MCM-41 was approximately the same as that of Cu-ZSM-5; but the former had a wider temperature window. TPR results indicated that only isolated Cu{sup 2+} and Cu{sup +} ions were detected in the Cu{sup 2+}-exchanged Al-MCM-41 samples, which may play an important role in the selective catalytic reduction of NO{sub x} to N{sub 2}. After some cerium ions were introduced into Cu-Al-MCM-41, Cu{sup 2+} in the molecular sieve became more easily reducible by H{sub 2}. This may be related to the increase of catalytic activity of NO{sub x} reduction by ethylene.

  12. High methane formation during the temperature-programmed decomposition in flowing hydrogen of supported mononuclear and polynuclear carbonyl complexes

    SciTech Connect (OSTI)

    Hucul, D.A.; Brenner, A.

    1981-01-14T23:59:59.000Z

    This paper presents the first detailed study of the temperature-programmed decomposition (TPDE) in flowing hydrogen of every element which forms a stable carbonyl. The investigation shows that these systems have an unexpectedly high propensity to form methane. The parameters affecting the yield of methane are described and this stoichiometric reaction is compared to catalytic methanation. (AT)

  13. Hydrogen Energy Stations: Poly-Production of Electricity, Hydrogen, and Thermal Energy

    E-Print Network [OSTI]

    Lipman, Timothy; Brooks, Cameron

    2006-01-01T23:59:59.000Z

    psi) High-pressure hydrogen compressor Compressed hydrogen2005 High-pressure hydrogen compressor Compressed hydrogenthe hydrogen, a hydrogen compressor, high-pressure tank

  14. Crystal structure and catalytic properties of three inorganic–organic hybrid constructed from heteropolymolybdate and aminopyridine

    SciTech Connect (OSTI)

    Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru [College of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China); Cai, Tiejun, E-mail: tjcai53@163.com [College of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China)

    2013-04-15T23:59:59.000Z

    Three new organic–inorganic 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 inorganic–organic 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 inorganic–organic 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.

  15. 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

    2010-09-05T23:59:59.000Z

    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.

  16. Optical properties of inhomogeneous metallic hydrogen plasmas

    E-Print Network [OSTI]

    Broeck, N Van den; Tempere, J; Silvera, I F

    2015-01-01T23:59:59.000Z

    We investigate the optical properties of hydrogen as it undergoes a transition from the insulating molecular to the metallic atomic phase, when heated by a pulsed laser at megabar pressures in a diamond anvil cell. Most current experiments attempt to observe this transition by detecting a change in the optical reflectance and/or transmittance. Theoretical models for this change are based on the dielectric function calculated for bulk, homogeneous slabs of material. Experimentally, one expects a hydrogen plasma density that varies on a length scale not substantially smaller than the wave length of the probing light. We show that taking this inhomogeneity into account can lead to significant corrections in the reflectance and transmittance. We present a technique to calculate the optical properties of systems with a smoothly varying density of charge carriers, determine the optical response for metallic hydrogen in the diamond anvil cell experiment and contrast this with the standard results. Analyzing recent e...

  17. 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 [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Fujita, Etsuko [Brookhaven National Lab. (BNL), Upton, NY (United States); Ertem, Mehmed Z. [Brookhaven National Lab. (BNL), Upton, NY (United States); Wang, Wan-Hui [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Japan Science and Technology Agency, Honcho, Kawaguchi, Saitama (Japan); Univ. of Technology, Panjin (China); Kambayashi, Hide [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Manaka, Yuichi [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Muckerman, James T. [Brookhaven National Lab. (BNL), Upton, NY (United States); Himeda, Yuichiro [National Inst. of Advanced Industrial Science and Technology, Higashi, Tsukuba, Ibaraki (Japan); Japan Science and Technology Agency, Honcho, Kawaguchi, Saitama (Japan)

    2014-11-24T23:59:59.000Z

    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 a 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.

  18. 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

    2014-11-24T23:59:59.000Z

    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 more »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.« less

  19. Hydrogen Filling Station

    SciTech Connect (OSTI)

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

    2010-02-24T23:59:59.000Z

    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:

  20. Catalytic reactor for low-Btu fuels

    DOE Patents [OSTI]

    Smith, Lance (North Haven, CT); Etemad, Shahrokh (Trumbull, CT); Karim, Hasan (Simpsonville, SC); Pfefferle, William C. (Madison, CT)

    2009-04-21T23:59:59.000Z

    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.

  1. Mesoporous silica nanoparticles for biomedical and catalytical applications

    SciTech Connect (OSTI)

    Sun, Xiaoxing

    2011-05-15T23:59:59.000Z

    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.

  2. Compact hydrogen/helium isotope mass spectrometer

    DOE Patents [OSTI]

    Funsten, Herbert O. (Los Alamos, NM); McComas, David J. (Los Alamos, NM); Scime, Earl E. (Morgantown, WV)

    1996-01-01T23:59:59.000Z

    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).

  3. cpp header will be provided by the publisher Properties of Dense Fluid Hydrogen and Helium in Giant Gas

    E-Print Network [OSTI]

    Militzer, Burkhard

    cpp header will be provided by the publisher Properties of Dense Fluid Hydrogen and Helium in Giant molecular dynamics, equation of state, giant gas planets, hydrogen-helium mix- tures PACS 61.20.Ja, 61.25.Em, 61.25.Mv, 61.20.-p Equilibrium properties of hydrogen-helium mixtures under thermodynamic conditions

  4. System and method for selective catalytic reduction of nitrogen oxides in combustion exhaust gases

    DOE Patents [OSTI]

    Sobolevskiy, Anatoly; Rossin, Joseph A

    2014-04-08T23:59:59.000Z

    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.

  5. Incorporation of catalytic dehydrogenation into Fischer-Tropsch synthesis to lower carbon dioxide emissions

    DOE Patents [OSTI]

    Huffman, Gerald P

    2012-09-18T23:59:59.000Z

    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.

  6. Ultrafine hydrogen storage powders

    DOE Patents [OSTI]

    Anderson, Iver E. (Ames, IA); Ellis, Timothy W. (Doylestown, PA); Pecharsky, Vitalij K. (Ames, IA); Ting, Jason (Ames, IA); Terpstra, Robert (Ames, IA); Bowman, Robert C. (La Mesa, CA); Witham, Charles K. (Pasadena, CA); Fultz, Brent T. (Pasadena, CA); Bugga, Ratnakumar V. (Arcadia, CA)

    2000-06-13T23:59:59.000Z

    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.

  7. DIRECT DECOMPOSITION OF METHANE TO HYDROGEN ON METAL LOADED ZEOLITE CATALYST

    SciTech Connect (OSTI)

    Lucia M. Petkovic; Daniel M. Ginosar; Kyle C. Burch; Harry W. Rollins

    2005-08-01T23:59:59.000Z

    The manufacture of hydrogen from natural gas is essential for the production of ultra clean transportation fuels. Not only is hydrogen necessary to upgrade low quality crude oils to high-quality, low sulfur ultra clean transportation fuels, hydrogen could eventually replace gasoline and diesel as the ultra clean transportation fuel of the future. Currently, refinery hydrogen is produced through the steam reforming of natural gas. Although efficient, the process is responsible for a significant portion of refinery CO2 emissions. This project is examining the direct catalytic decomposition of methane as an alternative to steam reforming. The energy required to produce one mole of hydrogen is slightly lower and the process does not require water-gas-shift or pressure-swing adsorption units. The decomposition process does not produce CO2 emissions and the product is not contaminated with CO -- a poison for PEM fuel cells. In this work we examined the direct catalytic decomposition of methane over a metal modified zeolite catalyst and the recovery of catalyst activity by calcination. A favorable production of hydrogen was obtained, when compared with previously reported nickel-zeolite supported catalysts. Reaction temperature had a strong influence on catalyst activity and on the type of carbon deposits. The catalyst utilized at 873 and 973 K could be regenerated without any significant loss of activity, however the catalyst utilized at 1073 K showed some loss of activity after regeneration.

  8. Ability of Catalytic Converters to Reduce Air Pollution

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    NOx - 1 Ability of Catalytic Converters to Reduce Air Pollution MEASUREMENT OF SELECTED AIR POLLUTANTS IN CAR EXHAUST Last updated: June 17, 2014 #12;NOx - 2 Ability of Catalytic Converters to Reduce Air Pollution MEASUREMENT OF SELECTED AIR POLLUTANTS IN CAR EXHAUST INTRODUCTION Automobile engines

  9. Amorphous Alloy Membranes for High Temperature Hydrogen Separation

    SciTech Connect (OSTI)

    Coulter, K

    2013-09-30T23:59:59.000Z

    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.

  10. 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.

    1985-02-19T23:59:59.000Z

    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/ .

  11. High Pressure Hydrogen Materials Compatibility of Piezoelectric...

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

    Pressure Hydrogen Materials Compatibility of Piezoelectric Films. High Pressure Hydrogen Materials Compatibility of Piezoelectric Films. Abstract: Abstract: Hydrogen is being...

  12. Sandia National Laboratories: Solar Thermochemical Hydrogen Production

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

    in Materials & Components Compatibility Hydrogen Behavior Quantitative Risk Assessment Hydrogen Infrastructure Solar Thermochemical Hydrogen Production Market Transformation...

  13. Hydrogen Permeation Resistant Coatings

    SciTech Connect (OSTI)

    KORINKO, PAUL; ADAMS, THAD; CREECH, GREGGORY

    2005-06-15T23:59:59.000Z

    As the National Hydrogen Economy continues to develop and evolve the need for structural materials that can resist hydrogen assisted degradation will become critical. To date austenitic stainless steel materials have been shown to be mildly susceptible to hydrogen attack which results in lower mechanical and fracture strengths. As a result, hydrogen permeation barrier coatings may be applied to these ferrous alloys to retard hydrogen ingress. Hydrogen is known to be very mobile in materials of construction. In this study, the permeation resistance of bare stainless steel samples and coated stainless steel samples was tested. The permeation resistance was measured using a modular permeation rig using a pressure rise technique. The coating microstructure and permeation results will be discussed in this document as will some additional testing.

  14. Hydrogen powered bus

    ScienceCinema (OSTI)

    None

    2013-11-22T23:59:59.000Z

    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

  15. Hydrogen energy systems studies

    SciTech Connect (OSTI)

    Ogden, J.M.; Steinbugler, M.; Dennis, E. [Princeton Univ., NJ (United States)] [and others

    1995-09-01T23:59:59.000Z

    For several years, researchers at Princeton University`s Center for Energy and Environmental Studies have carried out technical and economic assessments of hydrogen energy systems. Initially, we focussed on the long term potential of renewable hydrogen. More recently we have explored how a transition to renewable hydrogen might begin. The goal of our current work is to identify promising strategies leading from near term hydrogen markets and technologies toward eventual large scale use of renewable hydrogen as an energy carrier. Our approach has been to assess the entire hydrogen energy system from production through end-use considering technical performance, economics, infrastructure and environmental issues. This work is part of the systems analysis activity of the DOE Hydrogen Program. In this paper we first summarize the results of three tasks which were completed during the past year under NREL Contract No. XR-11265-2: in Task 1, we carried out assessments of near term options for supplying hydrogen transportation fuel from natural gas; in Task 2, we assessed the feasibility of using the existing natural gas system with hydrogen and hydrogen blends; and in Task 3, we carried out a study of PEM fuel cells for residential cogeneration applications, a market which might have less stringent cost requirements than transportation. We then give preliminary results for two other tasks which are ongoing under DOE Contract No. DE-FG04-94AL85803: In Task 1 we are assessing the technical options for low cost small scale production of hydrogen from natural gas, considering (a) steam reforming, (b) partial oxidation and (c) autothermal reforming, and in Task 2 we are assessing potential markets for hydrogen in Southern California.

  16. Preparation and characterization of VOx/TiO2 catalytic coatings on stainless steel plates for structured catalytic reactors.

    E-Print Network [OSTI]

    Boyer, Edmond

    for structured catalytic reactors. Thierry Giornelli, Axel Löfberg* and Elisabeth Bordes-Richard Unité de.Lofberg@univ-lille1.fr Abstract The parameters to be controlled to coat metallic walls by VOx/TiO2 catalysts which) was chosen because of its large application in industrial catalytic reactors. TiO2 films on stainless steel

  17. Hydrogen Delivery - Basics | Department of Energy

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

    Delivery Hydrogen Delivery - Basics Hydrogen Delivery - Basics Photo of light-duty vehicle at hydrogen refueling station. Infrastructure is required to move hydrogen from the...

  18. Department of Energy - Hydrogen

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

    Goes to.... Lighting Up Operations with Hydrogen and Fuel Cell Technology http:energy.goveerearticlesand-oscar-sustainable-mobile-lighting-goes-lighting-operations-hydro...

  19. Hydrogen Industrial Trucks

    Broader source: Energy.gov [DOE]

    Slides from the U.S. Department of Energy Hydrogen Component and System Qualification Workshop held November 4, 2010 in Livermore, CA.

  20. Renewable Hydrogen (Presentation)

    SciTech Connect (OSTI)

    Remick, R. J.

    2009-11-16T23:59:59.000Z

    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.

  1. Hydrogen Storage Related Links

    Broader source: Energy.gov [DOE]

    The following resources provide details about DOE-funded hydrogen storage activities, research plans and roadmaps, models and tools, and additional related links.

  2. Sustainable hydrogen production

    SciTech Connect (OSTI)

    Block, D.L.; Linkous, C.; Muradov, N.

    1996-01-01T23:59:59.000Z

    This report describes the Sustainable Hydrogen Production research conducted at the Florida Solar Energy Center (FSEC) for the past year. The report presents the work done on the following four tasks: Task 1--production of hydrogen by photovoltaic-powered electrolysis; Task 2--solar photocatalytic hydrogen production from water using a dual-bed photosystem; Task 3--development of solid electrolytes for water electrolysis at intermediate temperatures; and Task 4--production of hydrogen by thermocatalytic cracking of natural gas. For each task, this report presents a summary, introduction/description of project, and results.

  3. DOE Hydrogen Program Overview

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

    CO 2 emissions & energy consumption International Partnership for the Hydrogen Economy Norway An IPHE Vision: "... consumers will have the practical option of purchasing a...

  4. 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.

  5. Hydrogen permeation resistant barrier

    DOE Patents [OSTI]

    McGuire, J.C.; Brehm, W.F.

    1980-02-08T23:59:59.000Z

    A hydrogen permeation resistant barrier is formed by diffusing aluminum into an iron or nickel alloy and forming an intermetallic aluminide layer.

  6. Final Report: Catalytic Hydrocarbon Reactions over Supported Metal Oxides, August 1, 1995 - July 31, 1999

    SciTech Connect (OSTI)

    Ekerdt, John G.

    1999-07-31T23:59:59.000Z

    The research program focused on the catalysis of hydrodesulfurization (HDS) over molybdenum-based catalysts and how catalyst composition, redox ability, structure and neighboring sites control the catalytic properties of metal oxides. We sought to understand the catalytic features/sites that control hydrogenation, hydrogenolysis, and isomerization during HDS. Unprompted silica-supported molybdenum oxides and molybdenum sulfides were studied. Model catalyst systems were prepared from organometallic precursors or cluster compounds to generate supported structures that feature Mo(II) and Mo(IV) cations that are isolated or in ensembles and that have either Mo-O or Mo-S bonds. Conventional MOS{sub 2} catalysts, which contain both edge and rim sites, were be studied. Finally, single-layer MOS{sub 2} structures were also prepared from 2H-MoS{sub 2} powder so that the model systems could be compared against a disulfide catalyst that only involves rim sites. Catalytic reactions for thiophene and tetrahydrothione were studied over the various catalysts. Oxidation states were determined using X-ray photoelectron spectroscopy. X-ray crystallography was used to characterize and follow changes in the MOS{sub 2} structures. The program on metal oxides prepared supported oxides that have a specific structure and oxidation state to serve as model templates for the more complex commercial catalysts and then employed these structures in reaction studies. This focus area examined the relationships between structure and cation redox characteristics in oxidation catalysis. Infrared and Raman spectroscopy were used to characterize the cations and reaction intermediates.

  7. Enhancing hydrogen spillover and storage

    DOE Patents [OSTI]

    Yang, Ralph T; Li, Yingwei; Lachawiec, Jr., Anthony J

    2013-02-12T23:59:59.000Z

    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.

  8. Enhancing hydrogen spillover and storage

    DOE Patents [OSTI]

    Yang, Ralph T. (Ann Arbor, MI); Li, Yingwel (Ann Arbor, MI); Lachawiec, Jr., Anthony J. (Ann Arbor, MI)

    2011-05-31T23:59:59.000Z

    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.

  9. Hydrogen Energy Technology Geoff Dutton

    E-Print Network [OSTI]

    Watson, Andrew

    Hydrogen-fuelled internal combustion engines Hydrogen-fuelled turbines Fuel cells Hydrogen systems OverallHydrogen Energy Technology Geoff Dutton April 2002 Tyndall Centre for Climate Change Research Tyndall°Centre for Climate Change Research Working Paper 17 #12;Hydrogen Energy Technology Dr Geoff Dutton

  10. Combination moisture and hydrogen getter

    DOE Patents [OSTI]

    Not Available

    1982-04-29T23:59:59.000Z

    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.

  11. 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.

    2008-01-01T23:59:59.000Z

    Nanomaterials 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. Nanostructured systems including carbon nanotubes, nano-magnesium based hydrides, complex hydride/carbon nanocomposites, boron nitride nanotubes,TiS2/MoS2nanotubes, 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 maymore »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

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

    DOE Patents [OSTI]

    White, James H. (Boulder, CO); Schwartz, Michael (Boulder, CO); Sammells, Anthony F. (Boulder, CO)

    2001-01-01T23:59:59.000Z

    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.

  13. Development of a catalytic partial oxidation ethanol reformer for fuel cell applications

    SciTech Connect (OSTI)

    Mitchell, W.L.; Thijssen, J.H.J.; Bentley, J.M.; Marek, N.J.

    1995-12-31T23:59:59.000Z

    Arthur D. Little in conjunction with the Department of Energy and the Illinois Department of Commerce and Community Affairs are developing an ethanol fuel processor for fuel cell vehicles. Initial studies were carried out on a 25 kWe catalytic partial oxidation (POX) reformer to determine the effect of equivalence ratio, steam to carbon ratio, and residence time on ethanol conversion. Results of the POX experiments show near equilibrium yields of hydrogen and carbon monoxide for an equivalence ratio of 3.0 with a fuel processor efficiency of 80%. The size and weight of the prototype reformer yield power densities of 1.44 l/kW and 1.74 kg/kW at an estimated cost of $20/kW.

  14. Novel Fast Pyrolysis/Catalytic Technology for the Production of Stable Upgraded Liquids

    SciTech Connect (OSTI)

    Ted Oyama, Foster Agblevor, Francine Battaglia, Michael Klein

    2013-01-18T23:59:59.000Z

    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.

  15. Catalytic hydrocarbon reactions over supported metal oxides. Final report, August 1, 1986--July 31, 1995

    SciTech Connect (OSTI)

    Ekerdt, J.G.

    1995-10-20T23:59:59.000Z

    Oxide catalysis plays a central role in hydrocarbon processing and improvements in catalytic activity or selectivity are of great technological importance because these improvements will translate directly into more efficient utilization of hydrocarbon supplies and lower energy consumption in separation processes. An understanding of the relationships between surface structure and catalytic properties is needed to describe and improve oxide catalysts. The approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. The current research program is focused on studying the fundamental relationships between structure and reactivity for two important reactions that are present in many oxide-catalyzed processes, partial oxidation and carbon-carbon bond formation. During the course of these studies the author has: (1) developed methods to form and stabilize various Mo and W oxide structures on silica; (2) studied C-H abstraction reactions over the fully oxidized cations; (3) studied C-C bond coupling by metathesis and reductive coupling of aldehydes and ketones over reduced cation structures; and (4) initiated a study of hydrogenation and hydrogenolysis over reduced cation structures.

  16. Contact structure for use in catalytic distillation

    DOE Patents [OSTI]

    Jones, E.M. Jr.

    1984-03-27T23:59:59.000Z

    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, E.M. Jr.

    1985-08-20T23:59:59.000Z

    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.

  18. Contact structure for use in catalytic distillation

    DOE Patents [OSTI]

    Jones, Jr., Edward M. (Friendswood, TX)

    1984-01-01T23:59:59.000Z

    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.

  19. Contact structure for use in catalytic distillation

    DOE Patents [OSTI]

    Jones, Jr., Edward M. (Friendswood, TX)

    1985-01-01T23:59:59.000Z

    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.

  20. Catalytic cracking of residual petroleum fractions

    SciTech Connect (OSTI)

    Moore, H.F.; Mayo, S.L.; Goolsby, T.L. (Research and Development Dept., Ashland Petroleum Co., Ashland, KY (US))

    1991-01-01T23:59:59.000Z

    This paper reports on Arabian Light crude oil vacuum bottoms fractionated into five high-boiling fractions by wiped film evaporation, and the fractions subjected to catalytic cracking in a fixed-fluidized bed using a commercial equilibrium cracking catalyst. Density, aromaticity, and heteroatom content generally increased with boiling point, as did metals content except for vanadium and iron which demonstrated possible bimodal distributions. The cracking response of these fractions showed increasing yields of dry gas and coke, with decreasing gasoline yields, as a function of increasing apparent boiling point as would normally be expected. Surprisingly, however, local maxima were observed for wet gas yield and total conversion, with local minima for cycle oil and slurry yields, in the region of the 1200-1263{degrees}F (650-680{degrees}C) middle fraction. All fractions showed significant response to cracking, with coke yields generally being the only negative factor observed.

  1. Process for exchanging hydrogen isotopes between gaseous hydrogen and water

    DOE Patents [OSTI]

    Hindin, Saul G. (Mendham, NJ); Roberts, George W. (Westfield, NJ)

    1980-08-12T23:59:59.000Z

    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.

  2. Electrochemical hydrogen Storage Systems

    SciTech Connect (OSTI)

    Dr. Digby Macdonald

    2010-08-09T23:59:59.000Z

    As the global need for energy increases, scientists and engineers have found a possible solution by using hydrogen to power our world. Although hydrogen can be combusted as a fuel, it is considered an energy carrier for use in fuel cells wherein it is consumed (oxidized) without the production of greenhouse gases and produces electrical energy with high efficiency. Chemical storage of hydrogen involves release of hydrogen in a controlled manner from materials in which the hydrogen is covalently bound. Sodium borohydride and aminoborane are two materials given consideration as chemical hydrogen storage materials by the US Department of Energy. A very significant barrier to adoption of these materials as hydrogen carriers is their regeneration from 'spent fuel,' i.e., the material remaining after discharge of hydrogen. The U.S. Department of Energy (DOE) formed a Center of Excellence for Chemical Hydrogen Storage, and this work stems from that project. The DOE has identified boron hydrides as being the main compounds of interest as hydrogen storage materials. The various boron hydrides are then oxidized to release their hydrogen, thereby forming a 'spent fuel' in the form of a lower boron hydride or even a boron oxide. The ultimate goal of this project is to take the oxidized boron hydrides as the spent fuel and hydrogenate them back to their original form so they can be used again as a fuel. Thus this research is essentially a boron hydride recycling project. In this report, research directed at regeneration of sodium borohydride and aminoborane is described. For sodium borohydride, electrochemical reduction of boric acid and sodium metaborate (representing spent fuel) in alkaline, aqueous solution has been investigated. Similarly to literature reports (primarily patents), a variety of cathode materials were tried in these experiments. Additionally, approaches directed at overcoming electrostatic repulsion of borate anion from the cathode, not described in the previous literature for electrochemical reduction of spent fuels, have been attempted. A quantitative analytical method for measuring the concentration of sodium borohydride in alkaline aqueous solution has been developed as part of this work and is described herein. Finally, findings from stability tests for sodium borohydride in aqueous solutions of several different compositions are reported. For aminoborane, other research institutes have developed regeneration schemes involving tributyltin hydride. In this report, electrochemical reduction experiments attempting to regenerate tributyltin hydride from tributyltin chloride (a representative by-product of the regeneration scheme) are described. These experiments were performed in the non-aqueous solvents acetonitrile and 1,2-dimethoxyethane. A non-aqueous reference electrode for electrolysis experiments in acetonitrile was developed and is described. One class of boron hydrides, called polyhedral boranes, became of interest to the DOE due to their ability to contain a sufficient amount of hydrogen to meet program goals and because of their physical and chemical safety attributes. Unfortunately, the research performed here has shown that polyhedral boranes do not react in such a way as to allow enough hydrogen to be released, nor do they appear to undergo hydrogenation from the spent fuel form back to the original hydride. After the polyhedral boranes were investigated, the project goals remained the same but the hydrogen storage material was switched by the DOE to ammonia borane. Ammonia borane was found to undergo an irreversible hydrogen release process, so a direct hydrogenation was not able to occur. To achieve the hydrogenation of the spent ammonia borane fuel, an indirect hydrogenation reaction is possible by using compounds called organotin hydrides. In this process, the organotin hydrides will hydrogenate the spent ammonia borane fuel at the cost of their own oxidation, which forms organotin halides. To enable a closed-loop cycle, our task was then to be able to hydrogenate the organotin halides back to th

  3. Membrane for hydrogen recovery from streams containing hydrogen sulfide

    DOE Patents [OSTI]

    Agarwal, Pradeep K.

    2007-01-16T23:59:59.000Z

    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.

  4. Fundamental hydrogen interactions with beryllium : a magnetic fusion perspective.

    SciTech Connect (OSTI)

    Wampler, William R. (Sandia National Laboratories, Albuquerque, NM); Felter, Thomas E.; Whaley, Josh A.; Kolasinski, Robert D.; Bartelt, Norman Charles

    2012-03-01T23:59:59.000Z

    Increasingly, basic models such as density functional theory and molecular dynamics are being used to simulate different aspects of hydrogen recycling from plasma facing materials. These models provide valuable insight into hydrogen diffusion, trapping, and recombination from surfaces, but their validation relies on knowledge of the detailed behavior of hydrogen at an atomic scale. Despite being the first wall material for ITER, basic single crystal beryllium surfaces have been studied only sparsely from an experimental standpoint. In prior cases researchers used electron spectroscopy to examine surface reconstruction or adsorption kinetics during exposure to a hydrogen atmosphere. While valuable, these approaches lack the ability to directly detect the positioning of hydrogen on the surface. Ion beam techniques, such as low energy ion scattering (LEIS) and direct recoil spectroscopy (DRS), are two of the only experimental approaches capable of providing this information. In this study, we applied both LEIS and DRS to examine how hydrogen binds to the Be(0001) surface. Our measurements were performed using an angle-resolved ion energy spectrometer (ARIES) to probe the surface with low energy ions (500 eV - 3 keV He{sup +} and Ne{sup +}). We were able to obtain a 'scattering maps' of the crystal surface, providing insight on how low energy ions are focused along open surface channels. Once we completed a characterization of the clean surface, we dosed the sample with atomic hydrogen using a heated tungsten capillary. A distinct signal associated with adsorbed hydrogen emerged that was consistent with hydrogen residing between atom rows. To aid in the interpretation of the experimental results, we developed a computational model to simulate ion scattering at grazing incidence. For this purpose, we incorporated a simplified surface model into the Kalypso molecular dynamics code. This approach allowed us to understand how the incident ions interacted with the surface hydrogen, providing confirmation of the preferred binding site.

  5. The development of a fullerene based hydrogen storage system

    SciTech Connect (OSTI)

    Brosha, E.L.; Davey, J.R.; Garzon, F.H.; Gottesfeld, S.

    1998-11-01T23:59:59.000Z

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The project objective was to evaluate hydrogen uptake by fullerene substrates and to probe the potential of the hydrogen/fullerene system for hydrogen fuel storage. As part of this project, the authors have completed and tested a fully automated, computer controlled system for measuring hydrogen uptake that is capable of handling both a vacuum of 1 x 10{sup -6} torr and pressures greater than 200 bars. The authors have first established conditions for significant uptake of hydrogen by fullerenes. Subsequently, hydrogenation and dehydrogenation of pure and catalyst-doped C60 was further studied to probe suitability for hydrogen storage applications. C60 {center_dot} H18.7 was prepared at 100 bar H2 and 400 C, corresponding to hydrogen uptake of 2.6 wt%. Dehydrogenation of C60 {center_dot} H18.7 was studied using thermogravimetric and powder x-ray diffraction analysis. The C60 {center_dot} H18.7 molecule was found to be stable up to 430 C in Ar, at which point the release of hydrogen took place simultaneously with the collapse of the fullerene structure. X-ray diffraction analysis performed on C60 {center_dot} H18.7 samples dehydrogenated at 454 C, 475 C, and 600 C showed an increasing volume fraction of amorphous material due to randomly oriented, single-layer graphine sheets. Evolved gas analysis using gas chromatography and mass spectroscopy confirmed the presence of both H{sub 2} and methane upon dehydrogenation, indicating decomposition of the fullerene. The remaining carbon could not be re-hydrogenated. These results provide the first complete evidence for the irreversible nature of fullerene hydrogenation and for limitations imposed on the hydrogenation/dehydrogenation cycle by the limited thermal stability of the molecular crystal of fullerene.

  6. Dehydrogenation of liquid fuel in microchannel catalytic reactor

    DOE Patents [OSTI]

    Toseland, Bernard Allen (Coopersburg, PA); Pez, Guido Peter (Allentown, PA); Puri, Pushpinder Singh (Emmaus, PA)

    2010-08-03T23:59:59.000Z

    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.

  7. Gaseous and Liquid Hydrogen Storage

    Broader source: Energy.gov [DOE]

    Today's state of the art for hydrogen storage includes 5,000- and 10,000-psi compressed gas tanks and cryogenic liquid hydrogen tanks for on-board hydrogen storage.

  8. Renewable Resources for Hydrogen (Presentation)

    SciTech Connect (OSTI)

    Jalalzadeh-Azar, A. A.

    2010-05-03T23:59:59.000Z

    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.

  9. Hydrogen from Coal Edward Schmetz

    E-Print Network [OSTI]

    Turbines Carbon Capture & Sequestration Carbon Capture & Sequestration The Hydrogen from Coal Program Cells, Turbines, and Carbon Capture & Sequestration #12;Production Goal for Hydrogen from Coal Central Separation System PSA Membrane Membrane Carbon Sequestration Yes (87%) Yes (100%) Yes (100%) Hydrogen

  10. Hydrogen Analysis | Department of Energy

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

    Hydrogen Analysis Hydrogen Analysis 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...

  11. The Bumpy Road to Hydrogen

    E-Print Network [OSTI]

    Sperling, Dan; Ogden, Joan M

    2006-01-01T23:59:59.000Z

    It appears to us that hydrogen is a highly promising option06—16 The Bumpy Road to Hydrogen Daniel Sperling Joan OgdenThe Bumpy Road to Hydrogen 1 Daniel Sperling and Joan Ogden

  12. Hydrogen Delivery- Current Technology

    Broader source: Energy.gov [DOE]

    Hydrogen is transported from the point of production to the point of use via pipeline, over the road in cryogenic liquid trucks or gaseous tube trailers, or by rail or barge. Read on to learn more about current hydrogen delivery and storage technologies.

  13. Thick film hydrogen sensor

    DOE Patents [OSTI]

    Hoffheins, Barbara S. (Knoxville, TN); Lauf, Robert J. (Oak Ridge, TN)

    1995-01-01T23:59:59.000Z

    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.

  14. August 2006 Hydrogen Program

    E-Print Network [OSTI]

    after the date of enactment of this Act, the Secretary shall submit to Congress a report evaluating's primary transportation fuel from petroleum, which is increasingly imported, to hydrogen, which can the energy, environmental and economic benefits of a hydrogen economy. The goals and milestones

  15. Hydrogen Storage CODES & STANDARDS

    E-Print Network [OSTI]

    automotive start-up. · Air/Thermal/Water Management ­ improved air systems, high temperature membranes, heat to pump Hydrogen Fuel/ Storage/ Infrastructure $45/kW (2010) $30kW (2015) 325 W/kg 220 W/L 60% (hydrogen system Component Air management, sensors, MEA's, membranes, Bipolar Plates, fuel processor reactor zones

  16. Compact solid source of hydrogen gas

    DOE Patents [OSTI]

    Kravitz, Stanley H.; Hecht, Andrew M.; Sylwester, Alan P.; Bell, Nelson S.

    2004-06-08T23:59:59.000Z

    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.

  17. Hydrogen Fuel Quality

    SciTech Connect (OSTI)

    Rockward, Tommy [Los Alamos National Laboratory

    2012-07-16T23:59:59.000Z

    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.

  18. Heat transfer rates in fixed bed catalytic reactors

    E-Print Network [OSTI]

    Levelton, Bruce Harding

    1951-01-01T23:59:59.000Z

    HEAT TRANSFER RATES IN FIXED BED CATALYTIC REACTORS H EATTRNSFSAIX DB DNCLR YFNOAXa rRJRuSIX nSeR 1951i HssNIJFu FT SI TSBuR FXO LIXSRXS NRLIeeRXOROt HEAT TRANSFER RATES IN FIXED BED CATALYTIC REACTORS H EATTRNSFSAIX BSar DNCLR YFNOAXa r...RJRuSIX June 1951 HEAT TRANSFER RATES IN FIXED BED CATALYTIC REACTORS A Dissertation Submitted to the Faculty of the Agricultural and Mechanical College of Texas in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy Major...

  19. Sequential tasks performed by catalytic pumps for colloidal crystallization

    E-Print Network [OSTI]

    Ali Afshar Farniya; Maria J. Esplandiu; Adrian Bachtold

    2014-10-20T23:59:59.000Z

    Gold-platinum catalytic pumps immersed in a chemical fuel are used to manipulate silica colloids. The manipulation relies on the electric field and the fluid flow generated by the pump. Catalytic pumps perform various tasks, such as the repulsion of colloids, the attraction of colloids, and the guided crystallization of colloids. We demonstrate that catalytic pumps can execute these tasks sequentially over time. Switching from one task to the next is related to the local change of the proton concentration, which modifies the colloid zeta potential and consequently the electric force acting on the colloids.

  20. Tubular hydrogen permeable metal foil membrane and method of fabrication

    DOE Patents [OSTI]

    Paglieri, Stephen N.; Birdsell, Stephen A.; Barbero, Robert S.; Snow, Ronny C.; Smith, Frank M.

    2006-04-04T23:59:59.000Z

    A tubular hydrogen permeable metal membrane and fabrication process comprises obtaining a metal alloy foil having two surfaces, coating the surfaces with a metal or metal alloy catalytic layer to produce a hydrogen permeable metal membrane, sizing the membrane into a sheet with two long edges, wrapping the membrane around an elongated expandable rod with the two long edges aligned and overlapping to facilitate welding of the two together, placing the foil wrapped rod into a surrounding fixture housing with the two aligned and overlapping foil edges accessible through an elongated aperture in the surrounding fixture housing, expanding the elongated expandable rod within the surrounding fixture housing to tighten the foil about the expanded rod, welding the two long overlapping foil edges to one another generating a tubular membrane, and removing the tubular membrane from within the surrounding fixture housing and the expandable rod from with the tubular membrane.

  1. 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

  2. Sandia National Laboratories: Hydrogen Infrastructure

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

    Hydrogen Infrastructure Widespread Hydrogen Fueling Infrastructure Is the Goal of H2FIRST Project On June 4, 2014, in Capabilities, Center for Infrastructure Research and...

  3. Sandia National Laboratories: Hydrogen Safety

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

    Hydrogen Safety Solar Thermochemical Hydrogen Production On June 13, 2014, in SNL maintains the equipment, experts, and partnerships required to develop technology for solar...

  4. Hydrogen Storage Technical Team Roadmap

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

    and technology pathways are impacted by their analyses. These technical teams include Fuel Cells, Fuel Pathway Integration, Hydrogen Delivery, Hydrogen Production, Materials,...

  5. Hydrogen Delivery Infrastructure Option Analysis

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

    Infrastructure Hydrogen Delivery Infrastructure Option Analysis Option Analysis DOE and FreedomCAR & Fuel Partnership Hydrogen Delivery and On-Board Storage Analysis Workshop...

  6. Ecosystem fluxes of hydrogen: a comparison of flux-gradient methods

    E-Print Network [OSTI]

    Meredith, Laura Kelsey

    Our understanding of biosphere–atmosphere exchange has been considerably enhanced by eddy covariance measurements. However, there remain many trace gases, such as molecular hydrogen (H[subscript 2]), that lack suitable ...

  7. Effect of nickel grid parameters on production of negative hydrogen ions

    SciTech Connect (OSTI)

    Oohara, W.; Yokoyama, H.; Takeda, Toshiaki; Maetani, Y.; Takeda, Takashi; Kawata, K. [Department of Electronic Device Engineering, Yamaguchi University, Ube 755-8611 (Japan)

    2014-06-15T23:59:59.000Z

    Negative hydrogen ions are produced by plasma-assisted catalytic ionization using a nickel grid. When positive ions passing through the grid are decelerated by an electric field, the extraction current density of passing positive ions is sharply reduced by neutralization and negative ionization of the ions. This phenomenon is found to depend on the specific surface area of the grid and the current density.

  8. Transformations of anthraquinone-1-nitro-2-carboxylic acid during reduction by hydrogen on a catalyst

    SciTech Connect (OSTI)

    Rogovik, V.M.; Dzvinka, R.I.; Vinyukova, M.V.

    1987-11-20T23:59:59.000Z

    We studied the catalytic reduction of anthraquinone-1-nitro-2-carboxylic acid by hydrogen under a pressure of 0.1-5.5 MPa and at temperatures of 20-100/sup 0/C in different solvents. The concentration of the substrate was varied from 0.05 to 0.3 mole/dm/sub 3/. A 5% palladium on carbon was used in a thermostated ideal mixing reactor. The process was controlled by the rate of absorption of hydrogen; polarographic, spectral and GLC methods of analysis were used to identify the compounds and to evaluate the quantitative composition of the products.

  9. Molecular Mechanism of Biological Proton Transport

    SciTech Connect (OSTI)

    Pomes, R.

    1998-09-01T23:59:59.000Z

    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.

  10. CAN HYDROGEN WIN?: EXPLORING SCENARIOS FOR HYDROGEN

    E-Print Network [OSTI]

    -constrained world. Long-run simulations were created using CIMS, a hybrid energy-economy model supply submodel was built to simulate economies of scale in infrastructure. Capital costs, technology such as biofuel plug-in hybrids, but did well when biofuels were removed or priced excessively. Hydrogen fuel

  11. Catalytic Conversion of Ethanol to Hydrogen Using Combinatorial Shici Duan and Selim Senkan*

    E-Print Network [OSTI]

    Senkan, Selim M.

    in this area focused on steam reforming of ethanol at relatively high temperatures (T > 500 °C), where carbon 0.5-5 wt %. Ethanol steam reforming activities and H2 selectivities of these 840 distinct materials-4 In contrast, ethanol steam reforming has been studied to a much more limited extent. Ethanol has several

  12. C-O Bond Activation and C-C Bond Formation Paths in Catalytic CO Hydrogenation

    E-Print Network [OSTI]

    Loveless, Brett

    2012-01-01T23:59:59.000Z

    previously in flowing dry air (Praxair, extra-dry, 30 cm 3 (heated in flowing dry air (Praxair, extra-dry, 30 cm 3 (STP)flowing 10% H 2 /He mixture (Praxair, UHP, 50 cm 3 (STP) s -

  13. C-O Bond Activation and C-C Bond Formation Paths in Catalytic CO Hydrogenation

    E-Print Network [OSTI]

    Loveless, Brett

    2012-01-01T23:59:59.000Z

    Anderson, The Fischer-Tropsch and Related Synthesis, Wiley,Anderson, The Fischer-Tropsch and Related Synthesis, Wiley,C-C bond formation paths in Fischer-Tropsch synthesis are

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't Your Destiny: Theof Energy Change RequestFirstchampions,Department ofConversion

  15. Molecular vibration-sensing component in Drosophila melanogaster olfaction

    E-Print Network [OSTI]

    Mershin, Andreas

    A common explanation of molecular recognition by the olfactory system posits that receptors recognize the structure or shape of the odorant molecule. We performed a rigorous test of shape recognition by replacing hydrogen ...

  16. atom molecular mechanics: Topics by E-print Network

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

    planetary model of the hydrogen atom (see figure below) Bohr began with a Newtonian analysis Rioux, Frank 10 Atomic and Molecular Quantum Theory Course Number: C561 1 Now, Why do...

  17. Catalyst and process development for hydrogen preparation from future fuel-cell feedstocks. Final report, October 1, 1978-June 30, 1981

    SciTech Connect (OSTI)

    Hwang, H.S.; Feins, I.R.; Yarrington, R.M.

    1981-09-01T23:59:59.000Z

    The objective of this contract was to develop and demonstrate processes for the production of gaseous fuel cell feeds from high sulfur distillate fuels. The processes considered and studied in this program were high temperature steam reforming with hydrogen recycle, catalytic partial oxidation, and autothermal reforming. Even with hydrogen recycle, high temerature steam reforming of No. 2 oil proved to be dfficult due to carbon formation in the preheat section. Several steam reforming catalysts were evaluated during this phase of the program. (WHK)

  18. Demetallization of asphaltenes: Thermal and catalytic effects with small-pore catalysts

    SciTech Connect (OSTI)

    Adarme, R. (Oklahoma State Univ., Stillwater, OK (United States)); Sughrue, E.L.; Johnson, M.M.; Kidd, D.R.; Phillips, M.D.; Shaw, J.E. (Phillips Petroleum Co., Bartlesville, OK (United States))

    1990-08-01T23:59:59.000Z

    Residual oil hydrotreating has become an important front end process in commercial oil upgrading schemes because of tighter environmental regulations and a continuing trend toward processing heavier crudes. At Phillips Petroleum, residual oil hydrotreating pretreates feed for heavy oil cracking (HOC) by removing sulfur, a pollutant in the HOC stack gas, and metals such as nickel and vanadium, which adversely affect the cracking catalyst and gasoline yield in the HOC. Metals in residual oil are found almost exclusively in the resin and asphaltene fractions. Research has showed that metals in the resin fraction react more rapidly than metals in the asphaltene fraction. The hydrodemetallization (HDM) reaction is known to be diffusion limited and the larger molecular size of the asphaltene molecules may explain the slower reaction rates. Richardson and Alley and Asaoka, et al. have shown a reduction in asphaltene molecular weights with thermal and catalytic processing. Reynolds and Biggs demonstrated shifts in vanadium size distributions from thermally and catalytically treated residual. Recently Savage and Javanmaridian showed theoretically that reduction in molecular sizes external to catalyst pellets increases the reaction rate by as much as the inverse of the effectiveness factor. This work attempts to extend information on how metals are removed from asphaltenes and the interaction with small-pore catalysts generally found at the back end of residual oil hydrotreaters, where they are protected from deactivation by metal deposition. The small-pore catalysts are generally high in hydrodesulfurization (HDS) activity and generally restrict the large asphaltene molecules from entering their pores and depositing metals.

  19. Shape-selective catalysts for Fischer-Tropsch chemistry : atomic layer deposition of active catalytic metals. Activity report : January 1, 2005 - September 30, 2005.

    SciTech Connect (OSTI)

    Cronauer, D. C. (Chemical Sciences and Engineering Division)

    2011-04-15T23:59:59.000Z

    Argonne National Laboratory is carrying out a research program to create, prepare, and evaluate catalysts to promote Fischer-Tropsch (FT) chemistry - specifically, the reaction of hydrogen with carbon monoxide to form long-chain hydrocarbons. In addition to needing high activity, it is desirable that the catalysts have high selectivity and stability with respect to both mechanical strength and aging properties. The broad goal is to produce diesel fraction components and avoiding excess yields of both light hydrocarbons and heavy waxes. Originally the goal was to prepare shape-selective catalysts that would limit the formation of long-chain products and yet retain the active metal sites in a protected 'cage.' Such catalysts were prepared with silica-containing fractal cages. The activity was essentially the same as that of catalysts without the cages. We are currently awaiting follow-up experiments to determine the attrition strength of these catalysts. A second experimental stage was undertaken to prepare and evaluate active FT catalysts formed by atomic-layer deposition [ALD] of active components on supported membranes and particulate supports. The concept was that of depositing active metals (i.e. ruthenium, iron or cobalt) upon membranes with well defined flow channels of small diameter and length such that the catalytic activity and product molecular weight distribution could be controlled. In order to rapidly evaluate the catalytic membranes, the ALD coating processes were performed in an 'exploratory mode' in which ALD procedures from the literature appropriate for coating flat surfaces were applied to the high surface area membranes. Consequently, the Fe and Ru loadings in the membranes were likely to be smaller than those expected for complete monolayer coverage. In addition, there was likely to be significant variation in the Fe and Ru loading among the membranes due to difficulties in nucleating these materials on the aluminum oxide surfaces. The first series of experiments using coated membranes demonstrated that the technology needed further improvement. Specifically, observed catalytic FT activity was low. This low activity appeared to be due to: (1) low available surface area, (2) atomic deposition techniques that needed improvements, and (3) insufficient preconditioning of the catalyst surface prior to FT testing. Therefore, experimentation was expanded to the use of particulate silica supports having defined channels and reasonably high surface area. This later experimentation will be discussed in the next progress report. Subsequently, we plan to evaluate membranes after the ALD techniques are improved with a careful study to control and quantify the Fe and Ru loadings. The preconditioning of these surfaces will also be further developed. (A number of improvements have been made with particulate supports; they will be discussed in the subsequent report.) In support of the above, there was an opportunity to undertake a short study of cobalt/promoter/support interaction using the Advanced Photon Source (APS) of Argonne. Five catalysts and a reference cobalt oxide were characterized during a temperature programmed EXAFS/XANES experimental study with the combined effort of Argonne and the Center for Applied Energy Research (CAER) of the University of Kentucky. This project was completed, and it resulted in an extensive understanding of the preconditioning step of reducing Co-containing FT catalysts. A copy of the resulting manuscript has been submitted and accepted for publication. A similar project was undertaken with iron-containing FT catalysts; the data is currently being studied.

  20. Advancing the Hydrogen Safety Knowledge Base

    SciTech Connect (OSTI)

    Weiner, Steven C.

    2014-12-01T23:59:59.000Z

    A White Paper of the International Energy Agency Hydrogen Implementing Agreement Task 31 - Hydrogen Safety

  1. Electrokinetic Hydrogen Generation from Liquid Water Microjets Andrew M. Duffin and Richard J. Saykally,*

    E-Print Network [OSTI]

    Cohen, Ronald C.

    of natural gas. These thermal methods are relatively cheap, but they do not mitigate difficulties associatedElectrokinetic Hydrogen Generation from Liquid Water Microjets Andrew M. Duffin and Richard J, 2007; In Final Form: May 31, 2007 We describe a method for generating molecular hydrogen directly from

  2. Control of Substrate Access to the Active Site and Catalytic...

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

    Control of Substrate Access to the Active Site and Catalytic Mechanism of Methane and Toluene Monooxygenases Friday, June 22, 2012 - 3:30pm SSRL Main Conference Room 137-322 Prof....

  3. Emerging catalytic processes for the production of adipic acid

    E-Print Network [OSTI]

    Van de Vyver, Stijn

    Research efforts to find more sustainable pathways for the synthesis of adipic acid have led to the introduction of new catalytic processes for producing this commodity chemical from alternative resources. With a focus on ...

  4. Catalytic H2O2 decomposition on palladium surfaces

    E-Print Network [OSTI]

    Salinas, S. Adriana

    1998-01-01T23:59:59.000Z

    The catalytic decomposition of H?O? at smooth single-crystal and polycrystalline palladium surfaces that had been subjected to various surface modifications has been studied. Monolayer and submonolayer coverages of I, Br and Cl adsorbates were used...

  5. An Energy Analysis of the Catalytic Combustion Burner

    E-Print Network [OSTI]

    Dong, Q.; Zhang, S.; Duan, Z.; Zhou, Q.

    2006-01-01T23:59:59.000Z

    The gas boilers of conventional flame always produce varying degrees of combustion products NOx and CO, which pollute the environment and waste energy. As a new way of combustion, catalytic combustion breaks the flammable limits of conventional...

  6. In situ XAS Characterization of Catalytic Nano-Materials with...

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

    XAS Characterization of Catalytic Nano-Materials with Applications to Fuel Cells and Batteries Friday, July 12, 2013 - 11:00am SLAC, Conference Room 137-322 Presented by Qingying...

  7. atp catalytic domain: Topics by E-print Network

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

    produc Kik, Pieter 328 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  8. acidic multimetallic catalytic: Topics by E-print Network

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

    produc Kik, Pieter 106 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  9. automobile catalytic converters: Topics by E-print Network

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

    Odei 2006-01-01 408 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  10. atp catalytic cycle: Topics by E-print Network

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

    produc Kik, Pieter 275 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  11. apparent catalytic site: Topics by E-print Network

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

    produc Kik, Pieter 257 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  12. advanced catalytic materials: Topics by E-print Network

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

    produc Kik, Pieter 225 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  13. acrylamide catalytically inhibits: Topics by E-print Network

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

    produc Kik, Pieter 78 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  14. assisted catalytic oxidation: Topics by E-print Network

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

    produc Kik, Pieter 251 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  15. active catalytic sites: Topics by E-print Network

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

    produc Kik, Pieter 337 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  16. atpase catalytic domain: Topics by E-print Network

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

    produc Kik, Pieter 266 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  17. advanced catalytic materials 1996: Topics by E-print Network

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

    produc Kik, Pieter 467 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  18. archaeal primase catalytic: Topics by E-print Network

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

    produc Kik, Pieter 92 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  19. advanced catalytic science: Topics by E-print Network

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

    produc Kik, Pieter 488 Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine MIT - DSpace Summary: As part of the MIT micro-gas turbine engine...

  20. DOI: 10.1002/chem.201200292 Synthesis of NiRu Alloy Nanoparticles and Their High Catalytic Activity in

    E-Print Network [OSTI]

    molecular candidates for hydrogen storage[8­11] be- cause of its outstanding physicochemical properties interactions between B and N atoms[8] ), good stability in neutral and in alkaline aqueous solutions, safe. The alloy NPs were ob- tained by wet-chemistry method using a rapid lithium triethylborohydride re- duction