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1

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...

2

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...

3

Catalytic two-stage coal hydrogenation and hydroconversion process  

DOE Patents [OSTI]

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.

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

1989-01-01T23:59:59.000Z

4

Performance characterization of a hydrogen catalytic heater.  

SciTech Connect (OSTI)

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.

Johnson, Terry Alan; Kanouff, Michael P.

2010-04-01T23:59:59.000Z

5

Catalytic carbon membranes for hydrogen production  

SciTech Connect (OSTI)

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)

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

1992-01-01T23:59:59.000Z

6

Microchannel Reactor System for Catalytic Hydrogenation  

SciTech Connect (OSTI)

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.

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

2010-12-22T23:59:59.000Z

7

Hydrogen permeable protective coating for a catalytic surface  

DOE Patents [OSTI]

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.

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

8

CATALYTICALLY ENCHANCED SYSTEMS FOR HYDROGEN STORAGE  

E-Print Network [OSTI]

hydrogenation reaction. However, development of a hydrogen storage system based on this technology seems. The dehydrogenation of cycloalkanes to arenes releases approximately 7 weight percent hydrogen. Such a storage system

9

Catalytic Combustion for Ultra-Low NOx Hydrogen Turbines  

SciTech Connect (OSTI)

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.

Etemad, Shahrokh; Baird, Benjamin; Alavandi, Sandeep

2011-06-30T23:59:59.000Z

10

Catalytic carbon membranes for hydrogen production. Final report  

SciTech Connect (OSTI)

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)

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

1992-01-01T23:59:59.000Z

11

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

SciTech Connect (OSTI)

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

Professor Francisco Zaera

2007-08-09T23:59:59.000Z

12

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

E-Print Network [OSTI]

Control of Natural Gas Catalytic Partial Oxidation for Hydrogen Generation in Fuel Cell Ghosh3 , Huei Peng2 Abstract A fuel processor that reforms natural gas to hydrogen-rich mixture to feed of the hydrogen in the fuel processor is based on catalytic partial oxidation of the methane in the natural gas

Peng, Huei

13

Molecular Hydrogen in Infrared Cirrus  

E-Print Network [OSTI]

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.

Kristen Gillmon; J. Michael Shull

2005-07-25T23:59:59.000Z

14

Evidence of Catalytic Production of Hot Atomic Hydrogen in RF Generated Hydrogen/Helium Plasmas  

E-Print Network [OSTI]

A study of the line shapes of hydrogen Balmer series lines in RF generated low pressure H2/He plasmas produced results suggesting a catalytic process between helium and hydrogen species results in the generation of 'hot' (ca. 28 eV) atomic hydrogen. Even far from the electrodes 'hot' atomic hydrogen was predominant in H2/He plasmas. Line shapes, relative line areas of cold and hot atomic hydrogen (hot/cold>2.5), were very similar for areas between the electrodes and far from the electrodes for these plasmas. In contrast, in H2/Xe only 'warm' (hydrogen (warm/coldhydrogen away from the electrodes. Earlier postulates that preferential hydrogen line broadening in plasmas results from the acceleration of ionic hydrogen in the vicinity of electrodes, and the special charge exchange characteristics of Ar/H2+ are clearly belied by the present results that show atomic hydrogen line shape are similar for H2/He plasmas throughout the relatively large cylindrical (14 cm ID x 36 cm length) cavity.

Jonathan Phillips; Chun-Ku Chen; Toshi Shiina

2005-09-14T23:59:59.000Z

15

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

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

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

16

Effects of copper catalytic reactions on the development of supersonic hydrogen flames  

SciTech Connect (OSTI)

Copper species are present in hydrogen flames in arc heated supersonic ramjet testing facilities. Homogeneous and heterogeneous copper catalytic reactions may affect the flame development by enhancing the recombination of hydrogen atoms. Computer simulation is used to investigate the effects of the catalytic reactions on the reaction and ignition times of the flames. The simulation uses a modified general chemical kinetics computer program to simulate the development of copper-contaminated hydrogen flames under scramjet testing conditions. Reaction times of hydrogen flames are found to be reduced due to the copper catalytic effects, but ignition times are much less sensitive to such effects. The reduction of reaction time depends on copper concentration, particle size (if copper is in the condensed phase), and Mach number (or initial temperature and pressure). As copper concentration increases or the particle size decreases, reaction time decreases. As Mach number increases (or pressure and temperature decrease), the copper catalytic effects are greater.

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

1992-10-01T23:59:59.000Z

17

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

SciTech Connect (OSTI)

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.

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

2014-08-21T23:59:59.000Z

18

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

SciTech Connect (OSTI)

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.

Stock, L.M.

1995-06-30T23:59:59.000Z

19

Catalytic Membrane Reactor for Extraction of Hydrogen from Bioethanol Reforming  

E-Print Network [OSTI]

-gas-shift catalytic membrane reactor, and (2) a multi-layer design for bioethanol reforming. A two-dimensional model is developed to describe reaction and diffusion in the catalytic membrane coupled with plug-flow equations in the retentate and permeate volumes using...

Kuncharam, Bhanu Vardhan

2013-11-26T23:59:59.000Z

20

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

DOE Patents [OSTI]

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.

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

1989-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

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

DOE Patents [OSTI]

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.

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

1989-10-17T23:59:59.000Z

22

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...

23

Molecular Hydrogen Emission from Protoplanetary Disks  

E-Print Network [OSTI]

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.

H. Nomura; T. J. Millar

2005-05-06T23:59:59.000Z

24

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 of this engineering demonstration project. After an initial problem with the heaters that required modification

25

Method of generating hydrogen by catalytic decomposition of water  

DOE Patents [OSTI]

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.

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

26

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

SciTech Connect (OSTI)

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.

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

27

Catalytic Hydrogenation of Bio-Oil for Chemicals and Fuels  

SciTech Connect (OSTI)

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.

Elliott, Douglas C.

2006-02-14T23:59:59.000Z

28

Short residence time coal liquefaction process including catalytic hydrogenation  

DOE Patents [OSTI]

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.

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

1982-05-18T23:59:59.000Z

29

Short residence time coal liquefaction process including catalytic hydrogenation  

DOE Patents [OSTI]

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.

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

1982-05-18T23:59:59.000Z

30

Electrochemical treatment of human waste coupled with molecular hydrogen production  

E-Print Network [OSTI]

in a hydrogen fuel cell. Herein, we report on the efficacy of a laboratory-scale wastewater electrolysis cell an electrolysis cell for on-site wastewater treatment coupled with molecular hydrogen production for useElectrochemical treatment of human waste coupled with molecular hydrogen production Kangwoo Cho

Heaton, Thomas H.

31

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

SciTech Connect (OSTI)

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.

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

2012-09-14T23:59:59.000Z

32

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

DOE Patents [OSTI]

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.

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

1988-01-01T23:59:59.000Z

33

Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production  

SciTech Connect (OSTI)

Recent advances in Ni-based bio-inspired catalysts obtained in the Center for Molecular Electrocatalysis, an Energy Frontier Research Center (EFRC) at the Pacific Northwest National Laboratory, demonstrated the possibility of cleaving H2 or generating H2 heterolytically with turnover frequencies comparable or superior to those of hydrogenase enzymes. In these catalysts the transformation between H2 and protons proceeds via an interplay between proton, hydride and electron transfer steps and involves the interaction of a dihydrogen molecule with both a Ni(II) center and with pendant amine bases incorporated in a six-membered ring, which act as proton relays. These catalytic platforms are well designed in that when protons are correctly positioned (endo) toward the Raugei-ACS-Books.docxPrinted 12/18/12 2 metal center, catalysis proceeds at very high rates. We will show that the proton removal (for H2 oxidation) and proton delivery (for H2 production) are often the rate determining steps. Furthermore, the presence of multiple protonation sites gives rise to reaction intermediates with protons not correctly positioned (exo relative to the metal center). These isomers are easily accessible kinetically and are detrimental to catalysis because of the slow isomerization processes necessary to convert them to the catalytically competent endo isomers. In this chapter we will review the major findings of our computational investigation on the role of proton relays for H2 chemistry and provide guidelines for the design of new catalysts. This research was carried out in 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 for the U.S. Department of Energy by Battelle. Computational resources were provided at W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a Raugei-Bio-Inspired Molecular-Catalysts-for-Hydrogen- Oxidation-and-Hydrogen-Production.doc Printed 12/18/2012 23 national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at Pacific Northwest National Laboratory, the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory, and the Jaguar supercomputer at Oak Ridge National Laboratory (INCITE 2008-2011 award supported by the Office of Science of the U.S. DOE under Contract No. DE-AC0500OR22725).

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

2013-06-03T23:59:59.000Z

34

Elimination Of Catalytic Hydrogen Generation In Defense Waste Processing Facility Slurries  

SciTech Connect (OSTI)

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.

Koopman, D. C.

2013-01-22T23:59:59.000Z

35

Catalytic process for control of NOx emissions using hydrogen  

DOE Patents [OSTI]

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.

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

2010-05-18T23:59:59.000Z

36

Evidence of the production of hot hydrogen atoms in RF plasmas by catalytic reactions between hydrogen and oxygen species  

E-Print Network [OSTI]

Selective H-atom line broadening was found to be present throughout the volume (13.5 cm ID x 38 cm length) of RF generated H2O plasmas in a GEC cell. Notably, at low pressures (ca. hydrogen was 'hot' with energies greater than 40 eV with a pressure dependence, but only a weak power dependence. The degree of broadening was virtually independent of the position studied within the GEC cell, similar to the recent finding for He/H2 and Ar/H2 plasmas in the same GEC cell. In contrast to the atomic hydrogen lines, no broadening was observed in oxygen species lines at low pressures. Also, in control Xe/H2 plasmas run in the same cell at similar pressures and adsorbed power, no significant broadening of atomic hydrogen, Xe, or any other lines was observed. Stark broadening or acceleration of charged species due to high electric fields can not explain the results since (i) the electron density was insufficient by orders of magnitude, (ii) the RF field was essentially confined to the cathode fall region in contrast to the broadening that was independent of position, and (iii) only the atomic hydrogen lines were broadened. Rather, all of the data is consistent with a model that claims specific, predicted, species can act catalytically through a resonant energy transfer mechanism to create hot hydrogen atoms in plasmas.

Jonathan Phillips; Chun Ku Chen; Randell Mills

2004-02-06T23:59:59.000Z

37

NOVEL CATALYTIC EFFECTS OF FULLERENE FOR LIBH4 HYDROGEN UPTAKE AND RELEASE  

SciTech Connect (OSTI)

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.

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

2008-11-10T23:59:59.000Z

38

Molecular Simulation of Hydrogen Storage in SWNT ? Shigeo MARUYAMAa  

E-Print Network [OSTI]

Molecular Simulation of Hydrogen Storage in SWNT ? Shigeo MARUYAMAa , Tatsuto KIMURAb a Eng. Res efficiency storage of hydrogen with single walled nanotubes (SWNTs) by Dillon et al. [1], experimental determinations of the storage capacity and mechanism of storage have been extensively studied. Hydrogen storage

Maruyama, Shigeo

39

A Molecular Dynamics Simulation of Hydrogen Storage with SWNTs  

E-Print Network [OSTI]

A Molecular Dynamics Simulation of Hydrogen Storage with SWNTs S. Maruyama and T. Kimura, Bunkyo-ku, Tokyo 113-8656, Japan The mechanism of efficient hydrogen storage (1) with SWNTs (2, and the storage amount became about 5 wt % regardless of the tube radius. The number of absorbed hydrogen

Maruyama, Shigeo

40

Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation  

E-Print Network [OSTI]

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

Brenner, Donald W.

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

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]

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

Huang, Wenyu

2009-01-01T23:59:59.000Z

42

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

E-Print Network [OSTI]

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-

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

2008-01-01T23:59:59.000Z

43

Physisorption of molecular hydrogen on carbon nanotube with vacant defects  

SciTech Connect (OSTI)

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.

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

44

A study of the reactions related to the catalytic decomposition of hydrogen peroxide by the iodate-iodine couple  

E-Print Network [OSTI]

of the requirement f' or the degree of' I'lASTER OF SCIENCE December 1970 Najor Subject: Chemistry 7 Fl 0 0 III A STUDY OF THE REACTIDNS RELATED TO 'THE CATALYTIC DECONPOSITION GF HYDROGEN PEROXIDE BY THE IODATE-IODINE COUPLE A Thesis by RADNILO S Ii...'ii C Approved as to style and content by: ~Chairz~n f Committee~ / [H d Oep tr ~t A1ember December 1970 ABSTRACT A Study of he Reactions Related to the Catalytic Deconposition of Hydrogen Peroxide by the Iodate-Iodine Couple. (December 1970...

Simic, Radmilo

1970-01-01T23:59:59.000Z

45

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

SciTech Connect (OSTI)

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.

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

46

Molecular Dynamics Simulation of Collisions between Hydrogen and Graphite  

E-Print Network [OSTI]

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.

A. Ito; H. Nakamura

2006-04-26T23:59:59.000Z

47

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

SciTech Connect (OSTI)

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.

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

48

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

SciTech Connect (OSTI)

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.

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

49

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

DOE Patents [OSTI]

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.

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

1980-01-01T23:59:59.000Z

50

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

DOE Patents [OSTI]

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.

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

2003-09-02T23:59:59.000Z

51

Primordial magnetic fields and formation of molecular hydrogen  

E-Print Network [OSTI]

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.

Shiv K Sethi; Biman B. Nath; Kandaswamy Subramanian

2008-04-22T23:59:59.000Z

52

Formation of molecular hydrogen on amorphous silicate surfaces  

E-Print Network [OSTI]

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.

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

53

Catalytic ionic hydrogenation of ketones using tungsten or molybdenum organometallic species  

DOE Patents [OSTI]

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*.

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

2000-01-01T23:59:59.000Z

54

Effects of dispersion and support on adsorption, catalytic and electronic properties of cobalt/alumina CO hydrogenation catalysts: Annual progress report, August 1, 1987-July 31, 1988  

SciTech Connect (OSTI)

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 are to determine (1) the effects of surface structure and metal dispersion on the adsorption and catalytic properties of cobalt and (2) the effects of decorating support species on metal crystallites and of direct electronic interactions between metal clusters and support, on the adsorption, catalytic and electronic properties of cobalt supported on alumina. During the first year 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 science 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) as a result of electronic interaction with the tungsten substrate. Activities and selectivities of cobalt/alumina catalysts for CO hydrogenation prepared by decomposition of Co/sub 4/(CO)/sub 12/ were determined as functions of metal loading, dispersion, and extent of reduction. Steady-state activity and product molecular weight were found to increase with increasing metal loading (decreasing dispersion and increasing extent of reduction). 10 refs.

Bartholomew, C.H.

1988-08-22T23:59:59.000Z

55

The Molecular Hydrogen Deficit in Gamma-Ray Burst Afterglows  

E-Print Network [OSTI]

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.

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

2008-04-15T23:59:59.000Z

56

The Dipole Polarizability of the Hydrogen Molecular Ion  

SciTech Connect (OSTI)

The dipole polarizabibility for the 1 s{sigma} electron state of the H{sub 2}{sup +} hydrogen molecular ion is calculated within Born-Oppenheimer approximation. The variational expansion with randomly chosen exponents has been used for numerical studies. The results obtained for the dipole polarizability are accurate to the nine digits.

Tsogbayar, Ts.; Namsrai, Kh. [Institute of Physics and Technology, Mongolian Academy of Sciences, Peace Avenue 54-B, 210651, Ulaanbaatar 51 (Mongolia)

2009-03-31T23:59:59.000Z

57

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...

58

Pt nanoparticles modified by rare earth oxides: Electronic effect and influence to catalytic hydrogenation of 3-phenoxybenzaldehyde  

SciTech Connect (OSTI)

Graphical abstract: - Highlights: • The rare earths modified Pt/Al{sub 2}O{sub 3} were prepared by colloidal deposition method. • Modification of Pt by the rare earth enhanced catalytic hydrogenation activity. • The activity improvement is due to electron interaction between Pt and rare earth. • The hydrogenation mechanism of rare earth modified Pt catalyst was proposed. - Abstract: The rare earth elements (La, Ce, Nd, Sm, Pr, and Gd) modified Pt/Al{sub 2}O{sub 3} catalysts were prepared by the colloidal deposition and chemical reduction methods, respectively. Pt nanoparticles with average size 3 ± 0.5 nm were uniformly dispersed on the surface of Al{sub 2}O{sub 3} for the samples prepared by the colloidal deposition method, which exhibited higher activities in the hydrogenation of 3-phenoxybenzadehyde than the corresponding samples prepared by chemical reduction method. Moreover, except Gd, the catalysts modified by rare earth elements showed better catalytic performance than unmodified Pt/Al{sub 2}O{sub 3}. For Pt–Ce/Al{sub 2}O{sub 3} catalyst, when the weight percent of Pt and Ce was 0.5 and 0.25, respectively, the hydrogenation conversion of 3-phenoxybenzaldehyde was 97.3% after 6 h reaction. This activity improvement is due to the electronic interaction between Pt and rare earth elements, which was investigated by X-ray photoelectron spectroscopy.

Mou, Zhigang; Han, Ming; Li, Gang; Du, Yukou [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Yang, Ping, E-mail: pyang@suda.edu.cn [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Zhang, Hailu [Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215123 (China); Deng, Zongwu, E-mail: zwdeng2007@sinano.ac.cn [Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215123 (China)

2013-11-15T23:59:59.000Z

59

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

SciTech Connect (OSTI)

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.

Collins, Terrence J.; Horwitz, Colin

2004-11-12T23:59:59.000Z

60

Molecular Dynamics Simulation of Hydrogen Storage with Single Walled Carbon Nanotubes Shigeo MARUYAMA1,2  

E-Print Network [OSTI]

Molecular Dynamics Simulation of Hydrogen Storage with Single Walled Carbon Nanotubes * Shigeo-8656 The hydrogen storage mechanism of SWNTs was studied through molecular dynamics simulations. Assuming the simple : Molecular Dynamics Method, Hydrogen Storage, Single Walled Carbon Nanotubes, Lennard-Jones, Adsorption

Maruyama, Shigeo

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

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

SciTech Connect (OSTI)

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.

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

2014-06-03T23:59:59.000Z

62

A Molecular Dynamics Simulation of Hydrogen Storage by SWNTs Tatsuto Kimuraa  

E-Print Network [OSTI]

A Molecular Dynamics Simulation of Hydrogen Storage by SWNTs Tatsuto Kimuraa and Shigeo Maruyamab of efficient hydrogen storage [1] with SWNTs [2,3] was studied through classical molecular dynamics simulations adsorbed hydrogen molecules was almost proportional to the number of carbon atoms, and the storage amount

Maruyama, Shigeo

63

Molecular Dynamics Simulation of Hydrogen Storage with Single Walled Carbon Nanotubes  

E-Print Network [OSTI]

Molecular Dynamics Simulation of Hydrogen Storage with Single Walled Carbon Nanotubes Shigeo MARUYAMA #12;The hydrogen storage mechanism of SWNTs was studied through molecular dynamics simulations,12) Fig. 6 Hydrogen storage inside each SWNT #12;Table 1 Potential parameters between SWNTs Tube d0 [Ă?

Maruyama, Shigeo

64

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

E-Print Network [OSTI]

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

Fayer, Michael D.

65

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

SciTech Connect (OSTI)

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.

Wayland, B.B.

2009-08-31T23:59:59.000Z

66

Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4  

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

+ 2AlH 3 3 NaAlH 4 M. Mamula et al., Coll. Czechoslov. Chem. Commun. 32, 884 (1967). Atomic Hydrogen Interacting with Al Surfaces "H adsorption and the formation of alane...

67

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:...

68

Solar photo-catalytic hydrogen: systems considerations, economics, and potential markets. Final report  

SciTech Connect (OSTI)

A three part analysis was done consisting of (1) an examination of the physical principles of solar photocatalytic energy conversion and the status of research in this area, (2) an economic analysis of the potential costs of producing hydrogen from such a system, and (3) an analysis of the markets for hydrogen and the possible penetration of these markets by solar photocatalytic hydrogen. The cost range of flat plate thermal collectors, heliostats, and a photovoltaic system are compared. The cost range of flat plate thermal collectors was used to represent the cost of photocatalytic systems. On the basis of the photovoltaics cost outlook, it is found that photocatalytic systems would not cost less than $180 to $330 per m/sup 2/ range. On the basis of the heliostat cost outlook, a cost lower than $180 to $330 per m could be projected only for very large production volumes and very large installations. (LEW)

Steele, R.V.; Witwer, J.G.

1981-05-01T23:59:59.000Z

69

HH-sII in small, icy bodies? Hydrogen Storage in Molecular Compounds  

E-Print Network [OSTI]

· HH-sII in small, icy bodies? Hydrogen Storage in Molecular Compounds 0.2 GPa 10 kPa 77 K 110 140Geophysical Laboratory, Carnegie Institution of Washington Hydrogen Storage H4M holds the largest amount of its atomic number. So: it is easier to sense light atoms, such as hydrogen, in the presence of heavier

Downs, Robert T.

70

Molecular surface electrostatic potentials in the analysis of non-hydrogen-bonding noncovalent interactions  

SciTech Connect (OSTI)

Electrostatic potentials computed on molecular surfaces are used to analyze some noncovalent interactions that are not in the category of hydrogen bonding, e.g. halogen bonding. The systems examined include halogenated methanes, substituted benzenes, s-tetrazine and 1,3-bisphenylurea. The data were obtained by ab initio SCF calculations. Electrostatic potentials, Non-hydrogen-bonding noncovalent interactions, Molecular surfaces.

Murray, J.S.; Paulsen, K.; Politzer, P.

1993-12-27T23:59:59.000Z

71

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 ÂĽ 54p interval, and the electron binding energy of the n ÂĽ 54p

72

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)

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.

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

73

Catalytic Hydrodeoxygenation of Methyl-Substituted Phenols: Correlations of Kinetic Parameters with Molecular Properties  

E-Print Network [OSTI]

. Introduction As a result of increasing environmental concerns, catalytic hydrotreating has become an important, oil shale, and tar sands would render the hydrotreating of oxygen-containing com- pounds, mostly

Simons, Jack

74

Molecular mechanisms of hydrogen loaded B-hydroquinone clathrate  

SciTech Connect (OSTI)

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

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

2006-09-07T23:59:59.000Z

75

A Computational Study of Hydrogen-bonded Molecular Crystals   

E-Print Network [OSTI]

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...

Walker, Martin

76

Molecular hydrogen abundances of galaxies in the EAGLE simulations  

E-Print Network [OSTI]

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...

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

77

ON MOLECULAR HYDROGEN FORMATION AND THE MAGNETOHYDROSTATIC EQUILIBRIUM OF SUNSPOTS  

SciTech Connect (OSTI)

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.

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

78

Neutral chlorine and molecular hydrogen at high redshift  

E-Print Network [OSTI]

Chlorine and molecular hydrogen are known to be tightly linked together in the cold phase of the local interstellar medium through rapid chemical reactions. We present here the first systematic study of this relation at high redshifts using H$_2$-bearing damped Ly$\\alpha$ systems (DLAs) detected along quasar lines of sight. Using high-resolution spectroscopic data from VLT/UVES and Keck/HIRES, we report the detection of Cl$\\,$I in 9 DLAs (including 5 new detections) out of 18 high-$z$ DLAs with $N($H$_2) \\ge 10^{17.3}\\,$cm$^{-2}$ (including a new H$_2$ detection at $z=3.09145$ towards J$\\,$2100$-$0641) and present upper limits for the remaining 9 systems. We find a $\\sim$5$\\,\\sigma$ correlation between $N$(Cl$\\,$I) and $N$(H$_2$) with only $\\sim$0.2$\\,$dex dispersion over the range 18.1$\\,<\\,$log$\\,N$(H$_2$)$\\,<\\,$20.1, thus probing column densities 10 times lower those seen towards nearby stars, roughly following the relation $N$(Cl$\\,$I$) \\approx 1.5\\times10^{-6} \\times N($H$_2)$. This relation betwee...

Balashev, S A; Klimenko, V V; Petitjean, P; Srianand, R; Ledoux, C; Ivanchik, A V; Varshalovich, D A

2015-01-01T23:59:59.000Z

79

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

E-Print Network [OSTI]

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

Saiz, Leonor

80

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

E-Print Network [OSTI]

for fixed H /0 ratio and average s particle diameter is shown in Figures 3 and 4 respectively. The smooth curve for the 5 micron plate reflects uniform density throughout the bed due to good distribution of the gas phase. The curves for the 40 and 100...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...

Mehta, Shirish Ramniklal

1982-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

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...

82

Effect of Pt promotion on Ni/Al{sub 2}O{sub 3} for the selective catalytic reduction of NO with hydrogen  

SciTech Connect (OSTI)

Ni/Al{sub 2}O{sub 3} (10 wt.% Ni) and Ni-Pt/Al{sub 2}O{sub 3} (10 wt.% Ni, 0.5 wt.% Pt) were comparatively tested in the hydrogen selective catalytic reduction process (H{sub 2}-SCR), at reaction temperatures below 350°C. Catalytic activity tests consisted in temperature programmed reactions (TPRea) under plug flow conditions from 50 to 350°C, with a temperature rate of 5°C/min, using a feed stream with a reactant ratio NO:H{sub 2}?=?1:1.3 and a GHSV of 4500 h{sup ?1}. Promotion with Pt increases the catalytic performances of the Ni based catalyst, in respect to NO conversion, N{sub 2} selectivity and N{sub 2} yield. The reaction temperatures for NO conversion above 95% decrease significantly due to Pt addition, from 250°C for Ni/Al{sub 2}O{sub 3} to 125°C for Ni-Pt/Al{sub 2}O{sub 3}. Characterization of catalysts was performed by: X ray powder diffraction (XRD) for the estimation of Ni crystallite size, temperature programmed reduction (TPR) for the catalyst reducibility, temperature programmed desorption of hydrogen (H{sub 2}-TPD) for the investigation of active sites and metal dispersion on the support, N{sub 2} adsorption-desorption isotherms at ?196°C for the determination of total specific surface area and pore size distribution, and H/D isotopic exchange on the catalyst surface.

Mihet, Maria, E-mail: maria.mihet@itim-cj.ro; Lazar, Mihaela D., E-mail: maria.mihet@itim-cj.ro; Borodi, G., E-mail: maria.mihet@itim-cj.ro; Almasan, V., E-mail: maria.mihet@itim-cj.ro [National Institute for Research and Development of Isotopic and Molecular Technologies-INCDTIM, 65-103 Donath Str., 400293 Cluj-Napoca (Romania)

2013-11-13T23:59:59.000Z

83

Recombination Efficiency of Molecular Hydrogen on Interstellar Grains-II A Numerical Study  

E-Print Network [OSTI]

A knowledge of the recombination time on the grain surfaces has been a major obstacle in deciding the production rate of molecular hydrogen and other molecules in the interstellar medium. We present a numerical study to compute this time for molecular hydrogen for various cloud and grain parameters. We also find the time dependence, particularly when a grain is freshly injected into the system. Apart from the fact that the recombination times seem to be functions of the grain parameters such as the activation barrier energy, temperature etc, our result also shows the dependence on the number of sites in the grain $S$ and the effective accretion rate per site $a_s$ of atomic hydrogen. Simply put, the average time that a pair of atomic hydrogens will take to produce one molecular hydrogen depends on how heavily the grain is already populated by atomic and molecular hydrogens and how fast the hopping and desorption times are. We show that if we write the average recombination time as $T_r \\sim S^\\alpha/A_H$, where, $A_H$ is the hopping rate, then $\\alpha$ could be much greater than 1 for all astrophysically relevant accretion rates. Thus the average formation rate of $H_2$ is also dependent on the grain parameters, temperature and the accretion rate. We believe that our result will affect the overall rate of the formation of complex molecules such as methanol which require successive hydrogenation on the grain surfaces in the interstellar medium.

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

2008-06-28T23:59:59.000Z

84

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

SciTech Connect (OSTI)

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?ť 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?Ą90% 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

Paul Liu

2012-05-01T23:59:59.000Z

85

Aluminosilicates as controlled molecular environments for selective photochemical and catalytic reactions  

SciTech Connect (OSTI)

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.

Carrado, K.A.

1986-01-01T23:59:59.000Z

86

Molecular cobalt pentapyridine catalysts for generating hydrogen from water  

DOE Patents [OSTI]

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.

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

2013-11-05T23:59:59.000Z

87

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

E-Print Network [OSTI]

as a method to produce hydrogen for fuel cell applications. The absence of any undesirable by-products (unlike of hydrogen for fuel cells. In this study a variety of supported metal catalysts have been studied. Supported is the recent interest in the generation of clean hydrogen for fuel cells. Conventional processes such as steam

Goodman, Wayne

88

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

E-Print Network [OSTI]

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.

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

2005-04-25T23:59:59.000Z

89

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)

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.

Swanson, Michael; Henderson, Ann

2012-04-01T23:59:59.000Z

90

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

SciTech Connect (OSTI)

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

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

2014-04-16T23:59:59.000Z

91

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

E-Print Network [OSTI]

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.

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

2008-06-28T23:59:59.000Z

92

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

93

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

E-Print Network [OSTI]

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

Gross, E.K.U.

94

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

SciTech Connect (OSTI)

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

Hou, Yidong

2011-11-08T23:59:59.000Z

95

Molecular dynamics of gas phase hydrogen-bonded complexes  

E-Print Network [OSTI]

---HF are compared with previously determined values using microwave absolute intensity measurements and ab-initio molecular orbital calculations. Current work D /kJ mole -1 20. 77(22) De/kJ mole 28. 77(45) Rovibrational band information available for HCN... ? -RF 2 ?1 4 5 6 7 1 -116. 9(1) 8. 025(7) 4. 216&5) -51. 26&1) -14. 61(22) -D. lgl(1) -18. 98(2) -0. 408&2& -10. 45(38) -3. 61(22) -0. 61(2& -2. 01(1) 2. 61(5) -21. 61&18& 1. 00(5) Ixlgl, I lgl, I 15I, lxggl assam IX341, IX361 assumed 63 cm ' Ix...

Wofford, Billy Alan

2012-06-07T23:59:59.000Z

96

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,...

97

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

E-Print Network [OSTI]

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 ...

Wood, Brandon C. (Brandon Christopher)

2007-01-01T23:59:59.000Z

98

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

SciTech Connect (OSTI)

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.

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

99

Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface  

SciTech Connect (OSTI)

The adsorption, diffusion, and molecular dissociation of hydrogen on the biaxially strained Mg (0001) surface have been systematically investigated by the first principle calculations based on density functional theory. When the strain changes from the compressive to tensile state, the adsorption energy of H atom linearly increases while its diffusion barrier linearly decreases oppositely. The dissociation barrier of H{sub 2} molecule linearly reduces in the tensile strain region. Through the chemical bonding analysis including the charge density difference, the projected density of states and the Mulliken population, the mechanism of the strain effect on the adsorption of H atom and the dissociation of H{sub 2} molecule has been elucidated by an s-p charge transfer model. With the reduction of the orbital overlap between the surface Mg atoms upon the lattice expansion, the charge transfers from p to s states of Mg atoms, which enhances the hybridization of H s and Mg s orbitals. Therefore, the bonding interaction of H with Mg surface is strengthened and then the atomic diffusion and molecular dissociation barriers of hydrogen decrease accordingly. Our works will be helpful to understand and to estimate the influence of the lattice deformation on the performance of Mg-containing hydrogen storage materials.

Lei, Huaping; Wang, Caizhuang; Yao, Yongxin; Hupalo, Myron [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States)] [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Wang, Yangang [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States) [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Supercomputing Center of Computer Network Information Center, CAS, Beijing 100190 (China); McDougall, Dan; Tringides, Michael; Ho, Kaiming [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States) [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)

2013-12-14T23:59:59.000Z

100

Catalytic coal liquefaction process  

DOE Patents [OSTI]

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.

Garg, D.; Sunder, S.

1986-12-02T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Catalytic coal liquefaction process  

DOE Patents [OSTI]

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.

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

1986-01-01T23:59:59.000Z

102

Hydrogen purification system  

DOE Patents [OSTI]

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

Golben, Peter Mark

2010-06-15T23:59:59.000Z

103

Efficient, sustainable production of molecular hydrogen -a promising alternative to batteries in terms of energy storage -is still an unsolved problem. Implementation of direct water splitting  

E-Print Network [OSTI]

in terms of energy storage - is still an unsolved problem. Implementation of direct water splitting usingEfficient, sustainable production of molecular hydrogen - a promising alternative to batteries

KuÂ?el, Petr

104

Feedback from Galaxy Formation: Production and Photodissociation of Primordial Molecular Hydrogen  

E-Print Network [OSTI]

We use one-dimensional radiative transfer simulations to study the evolution of H_2 gas-phase (H^- catalyzed) formation and photo-dissociation regions in the primordial universe. We find a new positive feedback mechanism capable of producing shells of H_2 in the intergalactic medium, which are optically thick in some Lyman-Werner bands. While these shells exist, this feedback effect is important in reducing the H_2 dissociating background flux and the size of photo-dissociation spheres around each luminous object. The maximum background opacity of the IGM in the H_2 Lyman-Werner bands is \\tau_{H_2} ~ 1-2 for a relic molecular fraction x_{H_2}=2 x 10^{-6}, about 6 times greater than found by Haiman, Abel & Rees. Therefore, the relic molecular hydrogen can decrease the photo-dissociation rate by about an order of magnitude. The problem is relevant to the formation of small primordial galaxies with masses M_{DM} hydrogen cooling to collapse. Alternatively, the universe may have remained dark for several hundred million years after the birth of the first stars, until galaxies with virial temperature T_{vir} > 10^4 K formed.

Massimo Ricotti; Nickolay Y. Gnedin; J. Michael Shull

2000-12-15T23:59:59.000Z

105

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

SciTech Connect (OSTI)

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.

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

106

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

E-Print Network [OSTI]

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.

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

2014-01-01T23:59:59.000Z

107

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

SciTech Connect (OSTI)

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

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

2011-02-14T23:59:59.000Z

108

Catalytically Enhanced Hydrogen Storage Systems  

E-Print Network [OSTI]

neutron scattering (INS) Motions of the [AlH4]- anion. Infrared spectroscopy - Al-H bond vibrations hydride. X-ray diffraction Structural information (Na, Al, Ti). Neutron diffraction Structural information

109

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

SciTech Connect (OSTI)

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.

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

110

A Modular, Energy-Based Approach to the Development of Nickel Containing Molecular Electrocatalysts for Hydrogen Production and Oxidation  

SciTech Connect (OSTI)

This review discusses the development of molecular electrocatalysts for H2 production and oxidation based on nickel. A modular approach is used in which the structure of the catalyst is divided into first second and outer coordination spheres. The first coordination sphere consists of the ligands bound directly to the metal center, and this coordination sphere can be used to control such factors as the presence or absence of vacant coordination sites, redox potentials, hydride acceptor abilities and other important thermodynamic parameters. The second coordination sphere is defined as functional groups such as pendant acids or bases that can interact with bound substrates such as H2 molecules and hydride ligands, but that do not form strong bonds with the metal center. These functional groups can play diverse roles such as assisting the heterolytic cleavage of H2, controlling intra- and intermolecular proton transfer reactions, and provide a physical pathway for coupling proton and electron transfer reactions. By controlling both the hydride donor/acceptor ability of the catalysts using the first coordination sphere and the proton acceptor/donor abilities of the functional groups in the second coordination sphere, catalysts can be designed that are biased toward H2 production, H2 oxidation, or that are bidirectional (catalyzing both H2 oxidation and production). The outer coordination sphere is defined as that portion of the catalytic system that are not in the first and second coordination spheres. This coordination sphere can assist in the delivery of protons and electrons to and from the catalytically active site, thereby adding another important avenue for controlling catalytic activity. Many features of these simple catalytic systems are good models for enzymes and they provide the opportunity to probe certain aspects of catalysis that may be difficult in enzymes themselves, but that can provide insights into enzyme function and reactivity.

Shaw, Wendy J.; Helm, Monte L.; DuBois, Daniel L.

2013-08-01T23:59:59.000Z

111

Effects of dispersion and support on adsorption, catalytic and electronic properties of cobalt/alumina CO hydrogenation catalysts: (Technical progress report)  

SciTech Connect (OSTI)

The continued investigation of dispersion and metal-support interactions and their effects upon the adsorption, activity/selectivity, and electronic properties of the metal in cobalt/alumina (and to a lesser extent on iron/alumina) catalysts is proposed. The objectives of this research are to determine the effects of surface structure and metal dispersion on the adsorption and catalytic properties of cobalt, and determine the effects of metal-support interactions, i.e., effects of decorating support species on metal crystallites and of direct electronic interactions between metal clusters and the support, on the adsoprtion, catalytic and electronic properties of cobalt supported on alumina.

Bartholomew, C.H. Jr.

1986-12-22T23:59:59.000Z

112

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

E-Print Network [OSTI]

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...

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

2007-01-01T23:59:59.000Z

113

Molecular dynamics simulations of hydrogen bombardment of tungsten carbide surfaces P. Trskelin,1 N. Juslin,1 P. Erhart,2 and K. Nordlund1  

E-Print Network [OSTI]

Molecular dynamics simulations of hydrogen bombardment of tungsten carbide surfaces P. Träskelin,1 and tungsten carbide WC is of interest both due to the use of hydrogen-containing plasmas in thin. INTRODUCTION Tungsten carbide WC exhibits extraordinary hardness and temperature resistance. It has long been

Nordlund, Kai

114

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

E-Print Network [OSTI]

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.

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

2007-02-01T23:59:59.000Z

115

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

SciTech Connect (OSTI)

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.

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, Universitŕ degli Studi di Firenze, Via Sansone 1, I-50019 Sesto Fiorentino (Italy)] [Dipartimento di Fisica e Astronomia, Universitŕ degli Studi di Firenze, Via Sansone 1, I-50019 Sesto Fiorentino (Italy)

2014-04-28T23:59:59.000Z

116

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

SciTech Connect (OSTI)

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.

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

117

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

SciTech Connect (OSTI)

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.

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

118

Molecular simulation studies of metal organic frameworks focusing on hydrogen purification   

E-Print Network [OSTI]

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 ...

Banu, Ana Maria

2014-06-30T23:59:59.000Z

119

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

E-Print Network [OSTI]

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.

Sander Woutersen

2007-03-06T23:59:59.000Z

120

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

SciTech Connect (OSTI)

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.

Alan C. Cooper

2012-05-03T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

Molecular models for the intercalation of hydrogen molecules into modified graphites  

SciTech Connect (OSTI)

Carbonized aerogels have been proposed as a medium for the storage of H{sub 2} gas. Quantum chemical calculations were performed on a series of substituted polyaromatic ring compounds. Parallel ``sandwiches`` of these compounds were used as a model of graphite. Hydrogen was introduced between the compounds as a model of H{sub 2} intercalated into graphite. It was found that it required work to insert the H{sub 2} into most of the compounds, except when the presence of the hydrogen allowed the compound to find a new configuration with a lower energy.

Calef, D.F. [Lawrence Livermore National Lab., CA (United States). Chemistry and Materials Science Directorate

1995-12-01T23:59:59.000Z

122

CATALYTIC BIOMASS LIQUEFACTION  

E-Print Network [OSTI]

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

Ergun, Sabri

2013-01-01T23:59:59.000Z

123

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

E-Print Network [OSTI]

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

Strathclyde, University of

124

High-Capacity Hydrogen Storage in Metal-Free Organic Molecular Crystals  

E-Print Network [OSTI]

Scheffler1 1 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany 2 Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6032, USA #12;Hydrogen is an appealing energy carrier for renewable and clean energy [1]. The inten- sive

125

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]

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.

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

2015-01-01T23:59:59.000Z

126

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

SciTech Connect (OSTI)

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.

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

127

Catalytic reactor  

DOE Patents [OSTI]

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.

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

2009-03-10T23:59:59.000Z

128

Catalytic Coherence  

E-Print Network [OSTI]

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.

Johan Aberg

2014-10-20T23:59:59.000Z

129

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

E-Print Network [OSTI]

The development of a co-axially configured submillimeter spectrometer is reported. The spectrometer has been constructed to observe molecular complexes that exhibit non-covalent interactions with energies much less than that of a traditional...

McElmurry, Blake Anthony

2009-05-15T23:59:59.000Z

130

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

E-Print Network [OSTI]

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...

Ocola, Esther

2012-02-14T23:59:59.000Z

131

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

SciTech Connect (OSTI)

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.

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

132

Catalytic hydrodesulfurization of bitumen  

SciTech Connect (OSTI)

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.

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

1995-12-31T23:59:59.000Z

133

Molecular Orbital Analysis for the Hydrogen Molecule Ion Bond Frank Rioux  

E-Print Network [OSTI]

in atomic units: H 1 2 r r 2 r d d d d 1 ra 1 rb 1 R = The energy integral to be minimized 1 R exp R 1 exp R 1 R 2 R 2 3 1 R Minimization of the energy of the hydrogen energy and error in total ground state energy. .1029 .0865 .1029 15.9378 % E R .6029 .6029 2

Rioux, Frank

134

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

DOE Patents [OSTI]

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.

Nizamoff, Alan J. (Convent Station, NJ)

1980-01-01T23:59:59.000Z

135

E-Print Network 3.0 - advanced nuclear-electrolytic hydrogen...  

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

of H2 from Hydrocarbon Fuels Novel Catalytic... ) Fossil-Based Hydrogen Production Praxair Praxair ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen,...

136

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

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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment SurfacesResource ProgramModification and Application ofof aEMSL Hydrogen

137

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

SciTech Connect (OSTI)

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.

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

2013-04-01T23:59:59.000Z

138

Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer  

E-Print Network [OSTI]

Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics January 2001 A hybrid approach for simulating proton and hydride transfer reactions in enzymes coefficient and to investigate the real-time dynamics of reactive trajectories. This hybrid approach includes

Hammes-Schiffer, Sharon

139

Center for Catalytic Science and Technology Recent Highlights from the Center for  

E-Print Network [OSTI]

for Catalytic Science and Technology CCST Research Areas Electrocatalysts and hydrogen processing for PEM fuel cells Selective oxidation and selective hydrogenation Biomass to fuels and chemicals phosphates prepared in ionic liquids A straightforward, cost-effective and scalable synthesis

Firestone, Jeremy

140

Hydrogen Permeation Barrier Coatings  

SciTech Connect (OSTI)

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.

Henager, Charles H.

2008-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

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

SciTech Connect (OSTI)

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.

Wall, Judy D. [University of Missouri-Columbia

2014-12-23T23:59:59.000Z

142

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

SciTech Connect (OSTI)

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.

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

143

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

E-Print Network [OSTI]

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)

Takashi Hosokawa; Shu-ichiro Inutsuka

2007-04-05T23:59:59.000Z

144

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

SciTech Connect (OSTI)

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.

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

145

CATALYTIC LIQUEFACTION OF BIOMASS  

E-Print Network [OSTI]

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,

Seth, Manu

2012-01-01T23:59:59.000Z

146

CATALYTIC BIOMASS LIQUEFACTION  

E-Print Network [OSTI]

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

Ergun, Sabri

2013-01-01T23:59:59.000Z

147

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]

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) ...

Lahr, David Louis

2006-01-01T23:59:59.000Z

148

Analysis of hydrogen isotope mixtures  

DOE Patents [OSTI]

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.

Villa-Aleman, Eliel (Aiken, SC)

1994-01-01T23:59:59.000Z

149

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

E-Print Network [OSTI]

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.

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

1999-05-05T23:59:59.000Z

150

Rich catalytic injection  

DOE Patents [OSTI]

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.

Veninger, Albert (Coventry, CT)

2008-12-30T23:59:59.000Z

151

Hydrogen and sulfur recovery from hydrogen sulfide wastes  

DOE Patents [OSTI]

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.

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

1993-05-18T23:59:59.000Z

152

Hydrogen and sulfur recovery from hydrogen sulfide wastes  

DOE Patents [OSTI]

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.

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

1993-01-01T23:59:59.000Z

153

Vacuum-insulated catalytic converter  

DOE Patents [OSTI]

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.

Benson, David K. (Golden, CO)

2001-01-01T23:59:59.000Z

154

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

DOE Patents [OSTI]

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.

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

2011-02-01T23:59:59.000Z

155

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

E-Print Network [OSTI]

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.

Johannes Lischner; T. A. Arias

2008-06-27T23:59:59.000Z

156

Autothermal hydrogen storage and delivery systems  

DOE Patents [OSTI]

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.

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

2011-08-23T23:59:59.000Z

157

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

E-Print Network [OSTI]

, 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

Lawson, Catherine L.

158

An atomic-scale analysis of catalytically-assisted chemical vapor deposition of carbon nanotubes  

E-Print Network [OSTI]

An atomic-scale analysis of catalytically-assisted chemical vapor deposition of carbon nanotubes M Growth of carbon nanotubes during transition-metal particles catalytically-assisted thermal decomposition of various nanotube surface and edge reactions (e.g. adsorption of hydrocarbons and hydrogen onto the surface

Grujicic, Mica

159

Recent trends in refinery hydrogen production  

SciTech Connect (OSTI)

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.

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

1996-12-31T23:59:59.000Z

160

Catalytic nanoporous membranes  

DOE Patents [OSTI]

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.

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

2013-08-27T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
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to obtain the most current and comprehensive results.


161

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)

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.

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

162

Steam reformer with catalytic combustor  

DOE Patents [OSTI]

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.

Voecks, Gerald E. (La Crescenta, CA)

1990-03-20T23:59:59.000Z

163

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

SciTech Connect (OSTI)

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 ?}.

Pokorna, Sarka; Jurkiewicz, Piotr; Hof, Martin, E-mail: martin.hof@jh-inst.cas.cz [J. Heyrovský 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. Heyrovský 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

164

Hydrogen from Post-Consumer Residues  

E-Print Network [OSTI]

. #12;Approach Technology being developed for producing hydrogen from biomass: Pyrolysis or partial pyrolysis gases and vapors. Catalytic steam reforming of biomass-derived liquid streams (trap grease of the Project This work is one of three tasks in the Biomass to Hydrogen project. Goal: develop and demonstrate

165

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

E-Print Network [OSTI]

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

Richardson, David

166

Molecular projectile effects for kinetic electron emission from carbon and metal surfaces bombarded by slow hydrogen ions  

E-Print Network [OSTI]

1 Molecular projectile effects for kinetic electron emission from carbon ­ and metal surfaces, 20080 San Sebastián, Spain Abstract Total yields for kinetic electron emission (KE) have been determined of carbon­fiber inforced graphite used as first­wall armour in magnetic fusion devices. The data

Muiño, Ricardo Díez

167

Molecular projectile effects for kinetic electron emission from carbon-and metal surfaces bombarded by slow hydrogen ions  

E-Print Network [OSTI]

1 Molecular projectile effects for kinetic electron emission from carbon- and metal surfaces, 20080 San Sebastián, Spain Abstract Total yields for kinetic electron emission (KE) have been determined of carbon-fiber inforced graphite used as first-wall armour in magnetic fusion devices. The data

Muiño, Ricardo Díez

168

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

SciTech Connect (OSTI)

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.

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

2008-01-01T23:59:59.000Z

169

Catalytic multi-stage liquefaction (CMSL)  

SciTech Connect (OSTI)

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.

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

170

Catalytic coal hydroliquefaction process  

DOE Patents [OSTI]

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

Garg, Diwakar (Macungie, PA)

1984-01-01T23:59:59.000Z

171

Catalytic hydrodesulfurization of bitumen  

SciTech Connect (OSTI)

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.

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

1995-12-31T23:59:59.000Z

172

Concentric catalytic combustor  

DOE Patents [OSTI]

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.

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

2009-03-24T23:59:59.000Z

173

Florida Hydrogen Initiative  

SciTech Connect (OSTI)

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

Block, David L

2013-06-30T23:59:59.000Z

174

On the Dissociation of Molecular Hydrogen by Au Supported on Transition Metal Carbides: Choice of the Most Active Support  

SciTech Connect (OSTI)

A systematic density functional study of the adsorption and dissociation of H{sub 2} on the clean (001) surface of various transition metal carbides (TMCs; TM = Ti, Zr, V, Mo) and on Au{sub 4} nanoclusters supported on these TMCs is presented. It is found that the H{sub 2} dissociation on the bare clean TMCs strongly depends on the chemical nature of the support. Thus, the H{sub 2} molecule interacts rather strongly with TiC(001) and ZrC(001) but very weakly with VC(001) and {delta}-MoC(001). For the supported Au{sub 4} cluster, two different types of molecular mechanisms are found. For Au{sub 4}/TiC(001) and Au{sub 4}/ZrC(001), H{sub 2} dissociation leads to a H atom directly interacting with the Au{sub 4} cluster while the second H atom is transferred to the support. In contrast, for Au{sub 4}/VC(001) and Au{sub 4}/{delta}-MoC(001), both H atoms interact with the Au{sub 4} cluster. Overall, the present study suggests that, among the systems studied, Au/ZrC is the best substrate for H{sub 2} dissociation.

Rodriguez, J.A.; Florez, E.; Gomez, T.; Illas, F.

2011-03-15T23:59:59.000Z

175

Catalytic reforming methods  

DOE Patents [OSTI]

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.

Tadd, Andrew R; Schwank, Johannes

2013-05-14T23:59:59.000Z

176

Ultra Low NOx Catalytic Combustion for IGCC Power Plants  

SciTech Connect (OSTI)

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.

Shahrokh Etemad; Benjamin Baird; Sandeep Alavandi; William Pfefferle

2008-03-31T23:59:59.000Z

177

Purdue Hydrogen Systems Laboratory  

SciTech Connect (OSTI)

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.

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

2011-12-28T23:59:59.000Z

178

Producing Clean Syngas via Catalytic Reforming for Fuels Production  

SciTech Connect (OSTI)

Thermochemical biomass conversion to fuels and chemicals can be achieved through gasification to syngas. The biomass derived raw syngas contains the building blocks of carbon monoxide and hydrogen as well as impurities such as tars, light hydrocarbons, and hydrogen sulfide. These impurities must be removed prior to fuel synthesis. We used catalytic reforming to convert tars and hydrocarbons to additional syngas, which increases biomass carbon utilization. In this work, nickel based, fluidizable tar reforming catalysts were synthesized and evaluated for tar and methane reforming performance with oak and model syngas in two types of pilot scale fluidized reactors (recirculating and recirculating regenerating). Because hydrogen sulfide (present in raw syngas and added to model syngas) reacts with the active nickel surface, regeneration with steam and hydrogen was required. Pre and post catalyst characterization showed changes specific to the syngas type used. Results of this work will be discussed in the context of selecting the best process for pilot scale demonstration.

Magrini, K. A.; Parent, Y.; Jablonski, W.; Yung, M.

2012-01-01T23:59:59.000Z

179

Novel Catalytic Membrane Reactors  

SciTech Connect (OSTI)

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.

Stuart Nemser, PhD

2010-10-01T23:59:59.000Z

180

5, 35333559, 2005 Catalytic conversion  

E-Print Network [OSTI]

measurement technique, employing selective gas- phase catalytic conversion of methanol to formaldehyde it the second most abundant organic trace gas after methane. Methanol can play an important role in upper tropoACPD 5, 3533­3559, 2005 Catalytic conversion of methanol to formaldehyde S. J. Solomon et al. Title

Paris-Sud XI, Université de

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

Catalytic multi-stage process for hydroconversion and refining hydrocarbon feeds  

DOE Patents [OSTI]

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.

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

2001-01-01T23:59:59.000Z

182

Hydrogen sensor  

DOE Patents [OSTI]

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.

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

2010-11-23T23:59:59.000Z

183

Quantum Confinement in Hydrogen Bond  

E-Print Network [OSTI]

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.

Santos, Carlos da Silva dos; Ricotta, Regina Maria

2015-01-01T23:59:59.000Z

184

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...

185

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...

186

Geothermal hydrogen sulfide removal  

SciTech Connect (OSTI)

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.

Urban, P.

1981-04-01T23:59:59.000Z

187

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

SciTech Connect (OSTI)

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.

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

188

Fluid catalytic cracking of heavy petroleum fractions  

SciTech Connect (OSTI)

A process is claimed for fluid catalytic cracking of residuum and other heavy oils comprising of gas oil, petroleum residue, reduced and whole crudes and shale oil to produce gasoline and other liquid products which are separated in various streams in a fractionator and associated vapor recovery equipment. The heat from combustion of coke on the coked catalyst is removed by reacting sulfur-containing coke deposits with steam and oxygen in a separate stripper-gasifier to produce a low btu gas stream comprising of sulfur compounds, methane, carbon monoxide, hydrogen, and carbon dioxide at a temperature of from about 1100/sup 0/F. To about 2200/sup 0/F. The partially regenerated catalyst then undergoes complete carbon removal in a regeneration vessel. The regenerated catalyst is recycled for re-use in the cracking of heavy petroleum fractions. The liquid products are gasoline, distillates, heavy fuel oil, and light hydrocarbons.

McHenry, K.W.

1981-06-30T23:59:59.000Z

189

Catalytic cartridge SO/sub 3/ decomposer  

DOE Patents [OSTI]

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.

Galloway, T.R.

1980-11-18T23:59:59.000Z

190

Catalytic reduction of CO with hydrogen sulfide. 3. Study of adsorption of O/sub 2/, CO, and CO coadsorbed with H/sub 2/S on anatase and rutile using Auger electron spectroscopy and temperature-programmed desorption  

SciTech Connect (OSTI)

In O/sub 2/ and CO adsorption on anatase, only one weakly bound molecular desorption state was observed. For CO on rutile, there was a strongly bound and a weakly bound state. For O/sub 2/ rutile, a weakly bound state and two strongly chemisorbed states were observed. These strongly bound states are associated with the surface lattice anion vacancies produced on rutile (110). The amount of chemisorption in one of the strongly bound oxygen desorption states is correlated with the initial rate of irreversible adsorption of H/sub 2/S on rutile. Coadsorption of CO and H/sub 2/S indicates that strongly chemisorbed CO interacts with strongly chemisorbed H/sub 2/S to yield intermediates which desorb as CH/sub 3/SH and CH/sub 4/ at T approx. 800 K. At higher temperatures the surface sulfide concentration dominates the -SH concentration, explaining the dominance of COS in the product mixture. Implications of commercial hydrodesulfurization catalysts are discussed.

Beck, D.D.; White, J.M.; Ratcliffe, C.T.

1986-07-03T23:59:59.000Z

191

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

192

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

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

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

193

Correlations between surface structure and catalytic activity/selectivity  

SciTech Connect (OSTI)

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.

Goodman, D.W.

1992-10-01T23:59:59.000Z

194

Studies of coupled chemical and catalytic coal conversion methods  

SciTech Connect (OSTI)

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.

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

1991-12-01T23:59:59.000Z

195

Studies of coupled chemical and catalytic coal conversion methods  

SciTech Connect (OSTI)

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.

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

1991-12-01T23:59:59.000Z

196

The catalytic oxidation of propane  

E-Print Network [OSTI]

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...

Sanderson, Charles Frederick

1949-01-01T23:59:59.000Z

197

Quantum nuclear effects on the location of hydrogen above and below the palladium (100) surface  

E-Print Network [OSTI]

and absorption of hydrogen and its isotopes. Many studies [19­22], such as low energy electron diffraction (LEED, and thus have important implications in low temperature catalytic hydrogenation reactions [23­25Quantum nuclear effects on the location of hydrogen above and below the palladium (100) surface

Alavi, Ali

198

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...

199

Molecular evidence of Late Archean archaea and the presence of a subsurface hydrothermal biosphere  

E-Print Network [OSTI]

-7059; Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, MS#4, Woods Hole, MA and extended hopanes are also found in high-pressure catalytic hydrogenation products released from solvent their respective high-pressure catalytic hydrogenation product and what is observed for argillites deposited away

Polly, David

200

Enhanced Hydrogen Dipole Physisorption, Final Report  

SciTech Connect (OSTI)

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.

Ahn, Channing

2014-01-03T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

Hydrogen Analysis  

Broader source: Energy.gov [DOE]

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

202

Nuclear Hydrogen  

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

Hydrogen High temperature options for nuclear generation of hydrogen on a commercial basis are several years in the future. Thermo-chemical water splitting has been proven to be...

203

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.

204

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

205

Catalytic study of SOFC electrode materials in engine exhaust gas Pauline Briaulta  

E-Print Network [OSTI]

1 Catalytic study of SOFC electrode materials in engine exhaust gas atmosphere Pauline Briaulta. An innovative application of this system would be to recover energy from exhaust gas of a thermal engine in a mixture of hydrocarbons (propane, propene), oxygen, carbon monoxide, carbon dioxide, hydrogen and water

Paris-Sud XI, Université de

206

Catalytic destruction of groundwater contaminants in reactive extraction wells  

DOE Patents [OSTI]

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.

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

2002-01-01T23:59:59.000Z

207

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

DOE Patents [OSTI]

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.

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

208

Catalytic hydrogenation of an aromatic sulfonyl chloride into thiophenol  

E-Print Network [OSTI]

data collected in a continuous process mode show that the catalyst is deactivated during an experiment when the process time equal to two to three times the residence time of the liquid within the reactor. XRD analysis shows that the active sites...

Rouckout, Nicolas Julien

2009-05-15T23:59:59.000Z

209

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

210

High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts  

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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinement plasmas in the Madison SymmetricHigh Carbon Fly Ash

211

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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert SouthwestTechnologies |November 2011A First LookMicroscopy for| Argonne-Northwestern

212

Hydrogenation apparatus  

DOE Patents [OSTI]

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

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

1981-06-23T23:59:59.000Z

213

Some general laws of the hydrogenation of carbon monoxide on metals  

SciTech Connect (OSTI)

The catalytic properties of supported transition metals in the hydrogenation of CO to hydrocarbons have been studied. A kinetic model interpreting the unusual dependence of the activation energy on temperature is proposed. It is shown that the catalytic activity (r) decreases and the selectivity with respect to methane (SCH/sub 4/) increases with an increase in the heat of adsorption of CO.

Golodets, G.I.; Pavlenko, N.V.; Tripol'skii, A.I.

1988-01-01T23:59:59.000Z

214

Recent Advances in Catalytic Conversion of Ethanol to Chemicals  

SciTech Connect (OSTI)

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.

Sun, Junming; Wang, Yong

2014-04-30T23:59:59.000Z

215

Catalytic two-stage coal liquefaction process having improved nitrogen removal  

DOE Patents [OSTI]

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.

Comolli, Alfred G. (Yardley, PA)

1991-01-01T23:59:59.000Z

216

Understanding ammonia selective catalytic reduction kinetics...  

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

temperature programmed reduction (TPR), and electron paramagnetic resonance (EPR) spectroscopy. Catalytic properties are examined using NO oxidation, ammonia oxidation,...

217

Bifunctional Catalysts for the Selective Catalytic Reduction...  

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

Reduction (DEER) Conference Presentation: Argonne National Laboratory 2004deermarshall.pdf More Documents & Publications Bifunctional Catalysts for the Selective Catalytic...

218

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

219

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

E-Print Network [OSTI]

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.

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

2014-08-21T23:59:59.000Z

220

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...

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Hydrogen storage materials and method of making by dry homogenation  

DOE Patents [OSTI]

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.

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

2002-01-01T23:59:59.000Z

222

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

SciTech Connect (OSTI)

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

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

2004-03-25T23:59:59.000Z

223

Hydrogen Bibliography  

SciTech Connect (OSTI)

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

Not Available

1991-12-01T23:59:59.000Z

224

SOLVING THE NON-BORN-OPPENHEIMER SCHROeDINGER EQUATION FOR THE HYDROGEN MOLECULAR ION WITH THE FREE COMPLEMENT METHOD. II. HIGHLY ACCURATE ELECTRONIC, VIBRATIONAL, AND ROTATIONAL EXCITED STATES  

SciTech Connect (OSTI)

Highly accurate wave functions of the ground and electronic (1s {sigma}{sub g} and 3d {sigma}{sub g}), vibrational (v = 0-15 for 1s {sigma}{sub g} and v = 0-8 for 3d {sigma}{sub g}), and rotational (L = 0-6: {sup 1} S, {sup 3} P, {sup 1} D, {sup 3} F, {sup 1} G, {sup 3} H, and {sup 1} I) excited states of the hydrogen molecular ion were obtained by solving the non-Born-Oppenheimer (non-BO) Schroedinger equation using the free complement (FC) method. The vibronic states belonging to the electronic excited state 3d {sigma}{sub g} are embedded in the continuum of the dissociation, H(1s) + H{sup +}. Nevertheless, they exist as physical bound states that have negligible coupling with the continuum. The complex scaled Hamiltonian was employed to analyze the bound and/or resonance natures of the obtained eigenstates, and a new resonance state appeared between the above two electronic states. We numerically proved that the FC method is a reliable theoretical tool for investigating non-BO quantum effects, and it should be available for various studies of hydrogen-related space chemistry and low-temperature physics.

Nakashima, Hiroyuki; Nakatsuji, Hiroshi [Quantum Chemistry Research Institute, JST, CREST, Kyodai Katsura Venture Plaza 107, Goryo Oohara 1-36, Nishikyo-ku, Kyoto 615-8245 (Japan); Hijikata, Yuh, E-mail: h.nakashima@qcri.or.jp, E-mail: h.nakatsuji@qcri.or.jp [Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103 (Japan)

2013-06-20T23:59:59.000Z

225

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

DOE Patents [OSTI]

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.

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

2011-03-08T23:59:59.000Z

226

Catalytic ignition of fuel/oxygen/nitrogen mixtures over platinum  

SciTech Connect (OSTI)

Ignition of fuel/oxygen/nitrogen mixtures over platinum wire is experimentally studied by using microcalorimetry and by restricting the flow to the low Reynolds number range so that axisymmetry prevails. The fuels studied are propane, butane, propylene, ethylene, carbon monoxide, and hydrogen. Parameters investigated include flow velocity, fuel type and concentration, and oxygen concentration. The catalytic ignition temperatures of the various fuels are accurately determined over extensive ranges of fuel/oxygen/nitrogen concentrations. Results show two distinctly opposite ignition trends depending on the nature of the fuel. That is, the ignition temperature of lean propane/air and butane/air mixtures decreases as their fuel concentration is increased, while the reverse trend is observed for lean mixtures of propylene, ethylene, carbon monoxide, and hydrogen with air. Furthermore, the ignition of propane depends primarily on fuel concentration, while the ignition of carbon monoxide depends on fuel and oxygen concentrations to a comparable extent. These results are explained on the basis of hierarchical surface adsorption strengths of the different reactants in effecting catalytic ignition. Additional phenomena of interest are observed and discussed.

Cho, P.; Law, C.K.

1986-11-01T23:59:59.000Z

227

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

SciTech Connect (OSTI)

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)

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

2010-11-15T23:59:59.000Z

228

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

SciTech Connect (OSTI)

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

Borole, A.P.

2006-08-22T23:59:59.000Z

229

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

E-Print Network [OSTI]

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...

Khumsubdee, Sakunchai

2013-11-05T23:59:59.000Z

230

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

231

Methods and apparatuses for preparing a surface to have catalytic activity  

DOE Patents [OSTI]

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

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

2011-03-22T23:59:59.000Z

232

Plasma-assisted catalytic reduction system  

DOE Patents [OSTI]

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.

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

1998-01-27T23:59:59.000Z

233

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...

234

Bifunctional Catalysts for the Selective Catalytic Reduction...  

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

3 DEER Conference Presentation: Argonne National Laboratory 2003deermarshall.pdf More Documents & Publications Selectlive Catalytic Reducution of NOx wilth Diesel-Based Fuels as...

235

Catalytic membranes for fuel cells  

DOE Patents [OSTI]

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.

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

2011-04-19T23:59:59.000Z

236

On the control of carbon nanostructures for hydrogen storage applications  

E-Print Network [OSTI]

On the control of carbon nanostructures for hydrogen storage applications Patrice Guay a , Barry L April 2004 Available online 25 May 2004 Abstract The storage of hydrogen in different carbon nanofibers, Doped carbon; C. Molecular simulation; D. Gas storage 1. Introduction Hydrogen storage in carbon

Rochefort, Alain

237

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

238

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

SciTech Connect (OSTI)

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.

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

2011-03-28T23:59:59.000Z

239

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

240

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

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

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

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

Hydrogen program overview  

SciTech Connect (OSTI)

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.

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

1997-12-31T23:59:59.000Z

242

Effect of temperature on layer separation by plasma-hydrogenation  

SciTech Connect (OSTI)

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.

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

243

Hydrogen Permeability and Integrity of Hydrogen  

E-Print Network [OSTI]

Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines Z. Feng*, L.M. Anovitz*, J and industry expectations · DOE Pipeline Working Group and Tech Team activities - FRP Hydrogen Pipelines - Materials Solutions for Hydrogen Delivery in Pipelines - Natural Gas Pipelines for Hydrogen Use #12;3 OAK

244

Hydrogen Technologies Group  

SciTech Connect (OSTI)

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.

Not Available

2008-03-01T23:59:59.000Z

245

The Hype About Hydrogen  

E-Print Network [OSTI]

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

Mirza, Umar Karim

2006-01-01T23:59:59.000Z

246

Hydrogen Transition Infrastructure Analysis  

SciTech Connect (OSTI)

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.

Melendez, M.; Milbrandt, A.

2005-05-01T23:59:59.000Z

247

Carbon Dioxide Conversion to Valuable Chemical Products over Composite Catalytic Systems  

SciTech Connect (OSTI)

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.

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

248

Utilization of char from biomass gasification in catalytic applications  

E-Print Network [OSTI]

Utilization of char from biomass gasification in catalytic applications Naomi Klinghoffer Submitted Utilization of char from biomass gasification in catalytic applications Naomi Klinghoffer Utilization takes place during catalytic decomposition. This thesis focuses on the utilization of char as a catalyst

249

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...

250

Nanoporous carbon catalytic membranes and method for making the same  

DOE Patents [OSTI]

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

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

251

Passive Catalytic Approach to Low Temperature NOx Emission Abatement...  

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

Catalytic Approach to Low Temperature NOx Emission Abatement Passive Catalytic Approach to Low Temperature NOx Emission Abatement Numerically evaluated and optimized proposed...

252

Fuel-Flexible, Low-Emissions Catalytic Combustor for Opportunity...  

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

Flexible, Low-Emissions Catalytic Combustor for Opportunity Fuels Fuel-Flexible, Low-Emissions Catalytic Combustor for Opportunity Fuels This fact sheet provides an overview of the...

253

TCS 2014 Symposium on Thermal and Catalytic Sciences for Biofuels...  

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

TCS 2014 Symposium on Thermal and Catalytic Sciences for Biofuels and Biobased Products TCS 2014 Symposium on Thermal and Catalytic Sciences for Biofuels and Biobased Products...

254

Catalytic Hydrothermal Gasification of Biomass  

SciTech Connect (OSTI)

A recent development in biomass gasification is the use of a pressurized water processing environment in order that drying of the biomass can be avoided. This paper reviews the research undertaken developing this new option for biomass gasification. This review does not cover wet oxidation or near-atmospheric-pressure steam-gasification of biomass. Laboratory research on hydrothermal gasification of biomass focusing on the use of catalysts is reviewed here, and a companion review focuses on non-catalytic processing. Research includes liquid-phase, sub-critical processing as well as super-critical water processing. The use of heterogeneous catalysts in such a system allows effective operation at lower temperatures, and the issues around the use of catalysts are presented. This review attempts to show the potential of this new processing concept by comparing the various options under development and the results of the research.

Elliott, Douglas C.

2008-05-06T23:59:59.000Z

255

Catalytic converter with thermoelectric generator  

SciTech Connect (OSTI)

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.

Parise, R.J.

1998-07-01T23:59:59.000Z

256

The Hype About Hydrogen  

E-Print Network [OSTI]

another promising solution for hydrogen storage. However,storage and delivery, and there are safety issues as well with hydrogen

Mirza, Umar Karim

2006-01-01T23:59:59.000Z

257

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.

258

Hydrogen Analysis Group  

SciTech Connect (OSTI)

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

Not Available

2008-03-01T23:59:59.000Z

259

Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH  

E-Print Network [OSTI]

Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH Ojwang' J.G.O.*, Rutger van is the fall in potential energy surface during heating. Keywords: hydrogen storage, reactive force field governing hydrogen desorption in NaH. During the abstraction process of surface molecular hydrogen charge

Goddard III, William A.

260

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

E-Print Network [OSTI]

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

Williams, Loren

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

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

SciTech Connect (OSTI)

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

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

2014-03-25T23:59:59.000Z

262

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

SciTech Connect (OSTI)

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

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

1990-01-01T23:59:59.000Z

263

Computational studies of hydrogen storage materials and the development of related methods  

E-Print Network [OSTI]

Computational methods, including density functional theory and the cluster expansion formalism, are used to study materials for hydrogen storage. The storage of molecular hydrogen in the metal-organic framework with formula ...

Mueller, Timothy Keith

2007-01-01T23:59:59.000Z

264

Polymer formulations for gettering hydrogen  

DOE Patents [OSTI]

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

Shepodd, Timothy J. (330 Thrasher Ave., Livermore, CA 94550); Even, Jr., William R. (4254 Drake Way, Livermore, CA 94550)

2000-01-01T23:59:59.000Z

265

Ideally Glassy Hydrogen Bonded Networks  

E-Print Network [OSTI]

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.

J. C. Phillips

2005-08-05T23:59:59.000Z

266

Advanced Hydrogen Turbine Development  

SciTech Connect (OSTI)

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

Joesph Fadok

2008-01-01T23:59:59.000Z

267

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

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

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

268

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...

269

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 &...

270

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...

271

Effect of severity on catalytic hydroprocessed shale oil jet fuels  

SciTech Connect (OSTI)

Catalytic hydroprocessed shale oil jet fuels in the USA were characterized and compared with petroleum jet fuel to demonstrate their possibility as a conventional jet fuel substitute. The shale oils (Geokinetics, Occidental, Paraho and Tosco II) were hydrotreated in a 0.0508m ID by K1.524m long reactor containing Ni/Mo/Al/sub 2/O/sub 3/ catalyst. The fractionated hydrogenated shale oils at jet fuel ranges (120-300/degree/C) were analyzed for composition and physical properties. The increasing hydroprocessing severity proportionally decreased nitrogen, sulfur, olefins, aromatics and increased hydrogen content. The nitrogen content was considerable higher even at high severity conditions. Sulfur and olefin contents were lower at all severities. The heat of combustion and the physical properties, except the freezing point, were comparable to petroleum jet fuels. The yields of jet fuels increased proportionally to increased severity. The study showed that high severity hydroprocessing gave better performance in processing shale oils to jet fuels.

Mukherjee, N.L.

1987-01-01T23:59:59.000Z

272

Development of Regenerable High Capacity Boron Nitrogen Hydrides as Hydrogen Storage Materials  

SciTech Connect (OSTI)

The objective of this three-phase project is to develop synthesis and hydrogen extraction processes for nitrogen/boron hydride compounds that will permit exploitation of the high hydrogen content of these materials. The primary compound of interest in this project is ammonia-borane (NH{sub 3}BH{sub 3}), a white solid, stable at ambient conditions, containing 19.6% of its weight as hydrogen. With a low-pressure on-board storage and an efficient heating system to release hydrogen, ammonia-borane has a potential to meet DOE's year 2015 specific energy and energy density targets. If the ammonia-borane synthesis process could use the ammonia-borane decomposition products as the starting raw material, an efficient recycle loop could be set up for converting the decomposition products back into the starting boron-nitrogen hydride. This project is addressing two key challenges facing the exploitation of the boron/nitrogen hydrides (ammonia-borane), as hydrogen storage material: (1) Development of a simple, efficient, and controllable system for extracting most of the available hydrogen, realizing the high hydrogen density on a system weight/volume basis, and (2) Development of a large-capacity, inexpensive, ammonia-borane regeneration process starting from its decomposition products (BNHx) for recycle. During Phase I of the program both catalytic and non-catalytic decomposition of ammonia borane are being investigated to determine optimum decomposition conditions in terms of temperature for decomposition, rate of hydrogen release, purity of hydrogen produced, thermal efficiency of decomposition, and regenerability of the decomposition products. The non-catalytic studies provide a base-line performance to evaluate catalytic decomposition. Utilization of solid phase catalysts mixed with ammonia-borane was explored for its potential to lower the decomposition temperature, to increase the rate of hydrogen release at a given temperature, to lead to decomposition products amenable for regeneration, and direct catalytic hydrogenation of the decomposition products. Two different approaches of heating ammonia-borane are being investigated: (a) 'heat to material approach' in which a fixed compartmentalized ammonia-borane is heated by a carefully controlled heating pattern, and (b) 'material to heat approach' in which a small amount of ammonia-borane is dispensed at a time in a fixed hot zone. All stages of AB decomposition are exothermic which should allow the small 'hot zone' used in the second approach for heating to be self-sustaining. During the past year hydrogen release efforts focused on the second approach determining the amount of hydrogen released, kinetics of hydrogen release, and the amounts of impurities released as a function of AB decomposition temperature in the 'hot zone.'

Damle, A.

2010-02-03T23:59:59.000Z

273

HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM  

E-Print Network [OSTI]

to serve as "go-to" organization to catalyze PA Hydrogen and Fuel Cell Economy development #12;FundingHYDROGEN REGIONAL INFRASTRUCTURE PROGRAM IN PENNSYLVANIA HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM IN PENNSYLVANIA Melissa Klingenberg, PhDMelissa Klingenberg, PhD #12;Hydrogen ProgramHydrogen Program Air Products

274

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

275

Condensed Lecture Notes (Part 3) Hydrogen is the most abundant element in the universe. It is a transparent gas under normal conditions.  

E-Print Network [OSTI]

hydrogen storage via M + H2 MH2. · Groups 13-17 form molecular hydrides, many of which are gases. Hydrogen18 Condensed Lecture Notes (Part 3) Hydrogen Hydrogen is the most abundant element in the universe. (Endoergic by 400 kJ/mol) TiO2 catalysis Chemistry of Hydrogen Forms hydrides with every other element

276

Hydrogen Fuel Cell Vehicles  

E-Print Network [OSTI]

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

Delucchi, Mark

1992-01-01T23:59:59.000Z

277

Hydrogen Fuel Cell Vehicles  

E-Print Network [OSTI]

Hydrogen Fuel Cell Vehicles UCD-ITS-RR-92-14 September byet al. , 1988,1989 HYDROGEN FUEL-CELL VEHICLES: TECHNICALIn the FCEV, the hydrogen fuel cell could supply the "net"

Delucchi, Mark

1992-01-01T23:59:59.000Z

278

Hydrogen Fuel Cell Vehicles  

E-Print Network [OSTI]

for the hydrogen refueling station. Compressor cost: inputcost) Compressor power requirement: input data 288.80 Initial temperature of hydrogen (Compressor cost per unit of output ($/hp/million standard ft [SCF] of hydrogen/

Delucchi, Mark

1992-01-01T23:59:59.000Z

279

Enhanced Hydrogen Production Integrated with CO2 Separation in a Single-Stage Reactor  

SciTech Connect (OSTI)

High purity hydrogen is commercially produced from syngas by the Water Gas Shift Reaction (WGSR) in high and low temperature shift reactors using iron oxide and copper catalysts respectively. However, the WGSR is thermodynamically limited at high temperatures towards hydrogen production necessitating excess steam addition and catalytic operation. In the calcium looping process, the equilibrium limited WGSR is driven forward by the incessant removal of CO{sub 2} by-product through the carbonation of calcium oxide. At high pressures, this process obviates the need for a catalyst and excess steam requirement, thereby removing the costs related to the procurement and deactivation of the catalyst and steam generation. Thermodynamic analysis for the combined WGS and carbonation reaction was conducted. The combined WGS and carbonation reaction was investigated at varying pressures, temperatures and S/C ratios using a bench scale reactor system. It was found that the purity of hydrogen increases with the increase in pressure and at a pressure of 300 psig, almost 100% hydrogen is produced. It was also found that at high pressures, high purity hydrogen can be produced using stoichiometric quantities of steam. On comparing the catalytic and non catalytic modes of operation in the presence of calcium oxide, it was found that there was no difference in the purity of hydrogen produced at elevated pressures. Multicyclic reaction and regeneration experiments were also conducted and it was found that the purity of hydrogen remains almost constant after a few cycles.

Shwetha Ramkumar; Mahesh Iyer; Danny Wong; Himanshu Gupta; Bartev Sakadjian; Liang-Lhih Fan

2008-09-30T23:59:59.000Z

280

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

DOE Patents [OSTI]

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.

Huffman, Gerald P.

2012-11-13T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

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

SciTech Connect (OSTI)

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.

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

282

Catalytic Combustor for Fuel-Flexible Turbine  

SciTech Connect (OSTI)

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.

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

2006-03-31T23:59:59.000Z

283

Hydrogen and Infrastructure Costs  

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

FUEL CELL TECHNOLOGIES PROGRAM Hydrogen and Infrastructure Costs Hydrogen Infrastructure Market Readiness Workshop Washington D.C. February 17, 2011 Fred Joseck U.S. Department of...

284

Hydrogen and fuel taxation.  

E-Print Network [OSTI]

??The competitiveness of hydrogen depends on how it is integrated in the energy tax system in Europe. This paper addresses the competitiveness of hydrogen and… (more)

Hansen, Anders Chr.

2007-01-01T23:59:59.000Z

285

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?”

286

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...

287

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...

288

Anomalous neutron Compton scattering from molecular hydrogen  

SciTech Connect (OSTI)

Application of neutron Compton scattering, which operates in the attosecond time scale, to (a) the equimolar H{sub 2}-D{sub 2} mixture and (b) the mixed-isotope system HD (liquids, both at 20 K), reveals a strong anomalous shortfall (about 30%) of the ratio R={sigma}{sub H}/{sigma}{sub D} of H and D cross sections. This striking effect is similar to that observed in liquid H{sub 2}O-D{sub 2}O mixtures [C. A. Chatzidimitriou-Dreismann et al., Phys. Rev. Lett. 79, 2839 (1997)]. Crucially, the shortfall of R is equal in both samples (a) and (b). This result demonstrates that quantum exchange correlations of identical nuclei play no significant role in this effect, thus refuting corresponding theoretical models claiming its interpretation. In contrast, our findings are consistent with alternative theoretical models, in which attosecond dynamics of electronic degrees of freedom (via violation of the Born-Oppenheimer approximation) is considered to participate significantly in the dynamics of an elementary neutron-proton (-deuteron) scattering process. Possible implications for attosecond chemical dynamics, e.g., the onset of bond breaking, are mentioned.

Chatzidimitriou-Dreismann, C.A.; Krzystyniak, M. [Institute of Chemistry, Stranski Laboratory, Technical University of Berlin, D-10623 Berlin (Germany); Abdul-Redah, T. [Physics Laboratory, The University of Kent at Canterbury, Canterbury, Kent CT2 7NR (United Kingdom)

2005-08-01T23:59:59.000Z

289

CAN HYDROGEN WIN?: EXPLORING SCENARIOS FOR HYDROGEN  

E-Print Network [OSTI]

such as biofuel plug-in hybrids, but did well when biofuels were removed or priced excessively. Hydrogen fuel cells failed unless costs were assumed to descend independent of demand. However, hydrogen vehicles were; Hydrogen as fuel -- Economic aspects; Technological innovations -- Environmental aspects; Climatic changes

290

Process and apparatus for coal hydrogenation  

DOE Patents [OSTI]

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.

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

1991-01-01T23:59:59.000Z

291

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:...

292

Hydrogenation with monolith reactor under conditions of immiscible liquid phases  

DOE Patents [OSTI]

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

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

2002-01-01T23:59:59.000Z

293

Carbon Aerogels for Hydrogen Storage  

SciTech Connect (OSTI)

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.

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

2008-08-11T23:59:59.000Z

294

Electro Catalytic Oxidation (ECO) Operation  

SciTech Connect (OSTI)

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.

Morgan Jones

2011-03-31T23:59:59.000Z

295

Experimental Investigation in Order to Determine Catalytic Package Performances in Case of Tritium Transfer from Water to Gas  

SciTech Connect (OSTI)

The processes for hydrogen isotope's separation are very important for nuclear technology. One of the most important processes for tritium separation, is the catalyst isotope exchange water-hydrogen.Our catalytic package consists of Romanian patented catalysts with platinum on charcoal and polytetrafluoretylene (Pt/C/PTFE) and the ordered Romanian patented package B7 type. The catalytic package was tested in an isotope exchange facility for water detritiation at the Experimental Pilot Plant from ICIT Rm.Valcea.In a column of isotope exchange tritium is transferred from liquid phase (tritiated heavy water) in gaseous phase (hydrogen). In the experimental set-up, which was used, the column of catalytic isotope exchange is filled with successive layers of catalyst and ordered package. The catalyst consists of 95.5 wt.% of PTFE, 4.1 wt. % of carbon and 0.40 wt. % of platinum and was of Raschig rings 10 x 10 x 2 mm. The ordered package was B7 type consists of wire mesh phosphor bronze 4 x 1 wire and the mesh dimension is 0.18 x 0.48 mm.We analyzed the transfer phenomena of tritium from liquid to gaseous phase, in this system.The mass transfer coefficient which characterized the isotopic exchange on the package, were determined as function of experimental parameters.

Bornea, Anisia [National Institute of R and D for Cryogenics and Isotopic Separations (Romania); Peculea, M. [Romanian Academy (Romania); Zamfirache, M. [National Institute of R and D for Cryogenics and Isotopic Separations (Romania); Varlam, Carmen [National Institute of R and D for Cryogenics and Isotopic Separations (Romania)

2005-07-15T23:59:59.000Z

296

Hydrogen Energy Technology Geoff Dutton  

E-Print Network [OSTI]

Integrated gasification combined cycle (IGCC) Pyrolysis Water electrolysis Reversible fuel cell Hydrogen Hydrogen-fuelled internal combustion engines Hydrogen-fuelled turbines Fuel cells Hydrogen systems Overall expensive. Intermediate paths, employing hydrogen derived from fossil fuel sources, are already used

Watson, Andrew

297

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments  

E-Print Network [OSTI]

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments Chao Zhang contributions of each of the two hydrogen atoms to the vibrational modes 1 and 3 of water molecules the early works on the molecular structure of water, it has been accepted that a water molecule

Guidoni, Leonardo

298

Infrared spectra of carbon monoxide adsorbed on SiO sub 2 -supported lanthanide-Ni bimetallic catalysts and their catalytic properties  

SciTech Connect (OSTI)

Recently the surface properties of the lanthanide (rare earth) - transition metal intermetallics and lanthanide metal overlayers have attracted a growing interest from the point of view of technical applications in catalyst and hydrogen storage. However, despite the intrinsic interest and considerable potential of these novel materials, very little detailed work has been carried out with a view to unveiling the specific properties upon interactions of lanthanides with transition metals. It has been shown that Eu and Yb metals dissolve in liquid ammonia to yield homogeneous solutions containing the ammoniated electrons. When the transition metal powders are added to this solution, the metal powders react with the dissolved lanthanide metals in liquid ammonia to form novel bimetallic catalysts. Such a system can be used as a catalyst probe for studying the catalytic actions induced by interactions between the lanthanide and transition metals. The present investigation was extended to include a SiO{sub 2}-supported bimetallic systems obtained when Eu or Yb dissolved in liquid ammonia reacts with silica-supported Ni. Using Fourier transform (FT)-IR studies of adsorbed carbon monoxide the authors provided information about the way the surface components were disposed in this bimetallic system. Adsorbed carbon monoxide was used as a molecular probe for the nature of bimetallic surface since the IR spectra of adsorbed probe molecules directly reflected variations in the surface.

Imamura, Hayao; Sugimoto, Hiromi; Sakata, Yoshihisa; Tsuchiya, Susumu (Yamaguchi Univ., Ube (Japan))

1992-07-01T23:59:59.000Z

299

Challenges in Catalytic Manufacture of Renewable Pyrrolidinones from Fermentation Derived Succinate  

SciTech Connect (OSTI)

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.

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

2014-09-05T23:59:59.000Z

300

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

DOE Patents [OSTI]

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.

Sobolevskiy, Anatoly; Rossin, Joseph A.

2010-06-29T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Hydrogen production from water: Recent advances in photosynthesis research  

SciTech Connect (OSTI)

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%.

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

1997-12-31T23:59:59.000Z

302

Safetygram #9- Liquid Hydrogen  

Broader source: Energy.gov [DOE]

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

303

Hydrogen Delivery Liquefaction & Compression  

E-Print Network [OSTI]

Hydrogen Delivery Liquefaction & Compression Raymond Drnevich Praxair - Tonawanda, NY Strategic Initiatives for Hydrogen Delivery Workshop - May 7, 2003 #12;2 Agenda Introduction to Praxair Hydrogen Liquefaction Hydrogen Compression #12;3 Praxair at a Glance The largest industrial gas company in North

304

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

305

Porous Core-Shell Nanostructures for Catalytic Applications  

E-Print Network [OSTI]

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,

Ewers, Trevor David

2012-01-01T23:59:59.000Z

306

Molecular Dynamics Simulation of Nucleation Process of Single-Walled Carbon Nanotubes  

E-Print Network [OSTI]

Molecular Dynamics Simulation of Nucleation Process of Single-Walled Carbon Nanotubes YASUSHI SHIBUTA, SHIGEO MARUYAMA Nucleation process of single-walled carbon nanotubes by the catalytic chemical of a cap-structure of a nanotube. When the catalytic cluster reaches saturation with carbon atoms

Maruyama, Shigeo

307

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...

308

Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines  

SciTech Connect (OSTI)

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.

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

2014-09-05T23:59:59.000Z

309

Composition for absorbing hydrogen  

DOE Patents [OSTI]

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

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

1995-05-02T23:59:59.000Z

310

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)

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.

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

2011-08-16T23:59:59.000Z

311

Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles  

SciTech Connect (OSTI)

We present a comprehensive, Density Functional Theory-based analysis of the direct synthesis of hydrogen peroxide, H2O2, on twelve transition metal surfaces. We determine the full thermodynamics and selected kinetics of the reaction network on these metals, and we analyze these energetics with simple, microkinetically motivated rate theories to assess the activity and selectivity of hydrogen peroxide production on the surfaces of interest. By further exploiting Brřnsted-Evans-Polanyi relationships and scaling relationships between the binding energies of different adsorbates, we express the results in the form of a two dimensional contour volcano plot, with the activity and selectivity being determined as functions of two independent descriptors, the atomic hydrogen and oxygen adsorption free energies. We identify both a region of maximum predicted catalytic activity, which is near Pt and Pd in descriptor space, and a region of selective hydrogen peroxide production, which includes Au. The optimal catalysts represent a compromise between activity and selectivity and are predicted to fall approximately between Au and Pd in descriptor space, providing a compact explanation for the experimentally known performance of Au-Pd alloys for hydrogen peroxide synthesis, and suggesting a target for future computational screening efforts to identify improved direct hydrogen peroxide synthesis catalysts. Related methods of combining activity and selectivity analysis into a single volcano plot may be applicable to, and useful for, other aqueous phase heterogeneous catalytic reactions where selectivity is a key catalytic criterion.

Rankin, Rees B.; Greeley, Jeffrey P.

2012-10-19T23:59:59.000Z

312

Transparent and Catalytic Carbon Nanotube Films  

E-Print Network [OSTI]

, a reaction that is important for the dye-sensitized solar cell, with a charge-transfer resistance as measured for the dye-sensitized solar cell. Other possible applications include batteries, fuel cells to be electrochemically active in several systems.1,8­15 For example, they are catalytic in the dye-sensitized solar cell

Hone, James

313

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

E-Print Network [OSTI]

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.

Weijun Zheng; David Jewitt; Ralf I. Kaiser

2005-11-18T23:59:59.000Z

314

Synthetic crystalline metallosilicate compositions, the preparation thereof and their use in the conversion of synthesis gas to low molecular weight hydrocarbons  

SciTech Connect (OSTI)

A method is described for the conversion of synthesis gas comprising: contacting synthesis gas which consists of hydrogen and carbon monoxide with a catalytically effective amount of a crystalline ferrometallosilicate composition represented in terms of mole ratios.

Hinnenkamp, J.A.; Walatka, V.V.

1987-06-02T23:59:59.000Z

315

Formation and Dissociation of Intra-Intermolecular Hydrogen-Bonded Solute-Solvent Complexes: Chemical  

E-Print Network [OSTI]

architectures in supramolecular chemistry, molecular recognition, and self-assembly. The strength of hydrogen, such as the properties of water4 and biological recognition.3 Hydrogen bonding has been studied extensively in many contexts since the birth of the concept in the early 1900s.2,3,5 Hydrogen bonds can be separated into two

Fayer, Michael D.

316

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

E-Print Network [OSTI]

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

Ciobanu, Cristian

317

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...

318

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...

319

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.

320

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,...

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

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

SciTech Connect (OSTI)

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.

Karl Sohlberg, Drexel University

2007-05-16T23:59:59.000Z

322

Hydrogen energy systems studies  

SciTech Connect (OSTI)

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.).

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

1996-10-01T23:59:59.000Z

323

Hydrogen Bus Technology Validation Program  

E-Print Network [OSTI]

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

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

2005-01-01T23:59:59.000Z

324

The Bumpy Road to Hydrogen  

E-Print Network [OSTI]

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

Sperling, Dan; Ogden, Joan M

2006-01-01T23:59:59.000Z

325

Liquid Hydrogen Absorber for MICE  

E-Print Network [OSTI]

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.

Ishimoto, S.

2010-01-01T23:59:59.000Z

326

Hydrogen in semiconductors and insulators  

E-Print Network [OSTI]

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

Van de Walle, Chris G.

2007-01-01T23:59:59.000Z

327

Evidence For The Production Of Slow Antiprotonic Hydrogen In Vacuum  

E-Print Network [OSTI]

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.

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. Macrě; 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

328

Method and apparatus for a catalytic firebox reactor  

DOE Patents [OSTI]

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.

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

329

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

SciTech Connect (OSTI)

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.

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

1993-12-31T23:59:59.000Z

330

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

331

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)

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.

Näslund, L.-Ĺ., 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

332

Does H2O improve the catalytic activity of Au1-4/MgO towards CO oxidation?  

E-Print Network [OSTI]

The present density functional theory study addresses the question whether the presence of H2O influences the catalytic activity of small gold clusters, Au1-4/MgO(100), towards the oxidation of carbon monoxide. To this end, we studied the (co-)adsorption of H2O and CO/O2 on these gold clusters. The ground state structures in the presence of all three molecular species, that we found, are Au1O2/MgO and Au2-4CO/MgO with H2O adsorbed on the surface in the proximity of the clusters-molecule complex. In this configuration the catalytic activity of Au1-4/MgO is indifferent to the presence of H2O. We also found that a stable, highly activated hydroperoxyl-hydroxyl complex, O2H\\dot\\dot OH, can be formed on Au1,3/MgO. For the catalytic active system Au8/MgO, it has been predicted that this complex opens an alternative catalytic reaction pathway towards CO oxidation. Our results suggest that this water mediated catalytic cycle is unlikely to occur on Au1,3/MgO. In the case of Au1/MgO the cycle is interrupted by the dis...

Amft, Martin

2011-01-01T23:59:59.000Z

333

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

SciTech Connect (OSTI)

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.

Goodman, D.W.

1992-10-01T23:59:59.000Z

334

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

SciTech Connect (OSTI)

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.

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

2011-04-01T23:59:59.000Z

335

Catalytic fast pyrolysis of lignocellulosic biomass  

SciTech Connect (OSTI)

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.

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

2014-11-21T23:59:59.000Z

336

Catalytic extraction processing of contaminated scrap metal  

SciTech Connect (OSTI)

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.

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

1995-12-01T23:59:59.000Z

337

Preface: Challenges for Catalytic Exhaust Aftertreatment  

SciTech Connect (OSTI)

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.

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

2014-03-31T23:59:59.000Z

338

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.

339

DOE Hydrogen Program Overview  

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

Intl. J. Hydrogen Energy 27: 1217-1228 Melis A, Seibert M and Happe T (2004) Genomics of green algal hydrogen research. Photosynth. Res. 82: 277- 288 Maness P-C, Smolinski...

340

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

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Hydrogen transport membranes  

DOE Patents [OSTI]

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.

Mundschau, Michael V.

2005-05-31T23:59:59.000Z

342

Hydrogen Fuel Quality (Presentation)  

SciTech Connect (OSTI)

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.

Ohi, J.

2007-05-17T23:59:59.000Z

343

Molecular? recognition? from? atomic ?interactions:?? insights ?into ?drug ?discovery?  

E-Print Network [OSTI]

Alpha-D-Glucose GTP Guanosine-5'-Triphosphate GTPCHI GTP-cyclohydrolase I GV Gap Volume HB Hydrogen Bond HBA Hydrogen Bond Acceptor HBD Hydrogen Bond Donor HBPLUS Software to calculate hydrogen bonds in proteins HEM Heme HIV-1 Human Immunodeficiency... Methyllysine mmCIF Macromolecular Crystallographic Information Files MSE Selenomethionine MW Molecular Weight MySQL Open source database engine NAD Nicotinamide Adenine Dinucleotide NAP Nicotinamide Adenine Dinucleotide Phosphate NCC Neighbouring Chemical...

Higueruelo, Alicia Perez

2012-05-08T23:59:59.000Z

344

Hydrogen Technologies Safety Guide  

SciTech Connect (OSTI)

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.

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

2015-01-01T23:59:59.000Z

345

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.

346

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

SciTech Connect (OSTI)

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.

Gerald P. Huffman

2003-09-30T23:59:59.000Z

347

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

348

Hydrogen Production CODES & STANDARDS  

E-Print Network [OSTI]

Hydrogen Production DELIVERY FUEL CELLS STORAGE PRODUCTION TECHNOLOGY VALIDATION CODES & STANDARDS for 2010 · Reduce the cost of distributed production of hydrogen from natural gas and/or liquid fuels to $1 SYSTEMS INTEGRATION / ANALYSES SAFETY EDUCATION RESEARCH & DEVELOPMENT Economy Pete Devlin #12;Hydrogen

349

Sensitive hydrogen leak detector  

DOE Patents [OSTI]

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.

Myneni, Ganapati Rao (Yorktown, VA)

1999-01-01T23:59:59.000Z

350

Onboard Plasmatron Hydrogen Production for Improved Vehicles  

SciTech Connect (OSTI)

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.

Daniel R. Cohn; Leslie Bromberg; Kamal Hadidi

2005-12-31T23:59:59.000Z

351

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.

352

Alternative Transportation Technologies: Hydrogen, Biofuels,...  

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

Transportation Technologies: Hydrogen, Biofuels, Advanced Efficiency, and Plug-in Hybrid Electric Vehicles Alternative Transportation Technologies: Hydrogen, Biofuels, Advanced...

353

Hydrogen separation process  

DOE Patents [OSTI]

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.

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

354

Anti-Hydrogen Jonny Martinez  

E-Print Network [OSTI]

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

Budker, Dmitry

355

Hydrogen Dissociation on Pd4S Surfaces  

SciTech Connect (OSTI)

Exposure of Pd-based hydrogen purification membranes to H,S. a common contaminant in coal gasification streams, can cause membrane performance to deteriorate, either by deactivating surface sites required for dissociative H, adsorption or by forming a low-permeability sulfide scale. In this work. the composition, structure, and catalytic activity of Pd4S, a surface scale commonly observed in Pd-membrane separation of hydrogen from sulfur-containing gas streams, were examined using a combination of experimental characterization and density functional theory (DFT) calculations. A Pd,S sample was prepared by exposing a 100 f1m Pd foil to H2S at 908 K. Both X-ray photoemission depth profiling and low energy ion scattering spectroscopic (LEISS) analysis reveal slight sulfur-enrichment of the top surface of the sample. This view is consistent with the predictions of DFT atomistic thermodynamic calculations. which identified S-terminated Pd,S surfaces as energetically favored over corresponding Pd-terminated surfaces. Activation barriers for H2 dissociation on the Pd,S surfaces were calculated. Although barriers are higher than on Pd(lll). transition state theory analysis identified reaction pathways on the S-terminated surfaces for which hydrogen dissociation rates are high enough to sustain the separation process at conditions relevant to gasification applications.

Miller, J.B.; Alfonso, D.R.; Howard, B.H.; O'Brien, C.P.; Morreale, B.D.

2009-01-01T23:59:59.000Z

356

Method for producing hydrogen  

SciTech Connect (OSTI)

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.

Preston, J.L.

1980-02-26T23:59:59.000Z

357

Promotive SMSI effect for hydrogenation of carbon dioxide to methanol on a Pd/CeO{sub 2} catalyst  

SciTech Connect (OSTI)

This article reports strong metal support interaction (SMSI) appearing in supported palladium catalysts which improves greatly the selectivity and lifetime of the catalysts for methanol synthesis from CO{sub 2} hydrogenation. Catalytic hydrogenation of carbon dioxide into valuable chemicals and fuels such as methanol has recently been recognized as one of the promising recycling technologies for emitted CO{sub 2}. 33 refs., 1 fig., 3 tabs.

NONE

1994-11-01T23:59:59.000Z

358

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

359

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

E-Print Network [OSTI]

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...

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

2000-01-01T23:59:59.000Z

360

Catalytic reduction system for oxygen-rich exhaust  

DOE Patents [OSTI]

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.

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

1999-04-13T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Single Supported Atoms Participate in Catalytic Processes | ornl...  

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

Functional Materials for Energy Single Supported Atoms Participate in Catalytic Processes December 04, 2014 Pathways for NO oxidation on single Pt atoms supported on the (010)...

362

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...

363

Selective Catalytic Reduction and Exhaust Gas Recirculation Systems...  

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

Reduction and Exhaust Gas Recirculation Systems Optimization Selective Catalytic Reduction and Exhaust Gas Recirculation Systems Optimization A patented EGR-SCR approach was shown...

364

Printing 3D Catalytic Devices | The Ames Laboratory  

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

Printing 3D Catalytic Devices Ames Laboratory scientist Igor Slowing discusses using 3D printers to create new materials, including catalysts...

365

Piloted rich-catalytic lean-burn hybrid combustor  

DOE Patents [OSTI]

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.

Newburry, Donald Maurice (Orlando, FL)

2002-01-01T23:59:59.000Z

366

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

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

Engine Emissions Reduction (DEER) Conference Presentations and Posters 2005deermarshall.pdf More Documents & Publications Bifunctional Catalysts for the Selective Catalytic...

367

Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway...  

Energy Savers [EERE]

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

368

Hydrogen Filling Station  

SciTech Connect (OSTI)

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:

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

2010-02-24T23:59:59.000Z

369

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

E-Print Network [OSTI]

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

Lipman, Timothy; Brooks, Cameron

2006-01-01T23:59:59.000Z

370

Ultrafine hydrogen storage powders  

DOE Patents [OSTI]

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.

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

371

Optical properties of inhomogeneous metallic hydrogen plasmas  

E-Print Network [OSTI]

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...

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

2015-01-01T23:59:59.000Z

372

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

SciTech Connect (OSTI)

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.

McCrea, Keith R.

2001-09-07T23:59:59.000Z

373

LANL Virtual Center for Chemical Hydrogen Storage: Chemical Hydrogen Storage Using Ultra-high Surface Area Main Group Materials  

SciTech Connect (OSTI)

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.

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

374

Compact hydrogen/helium isotope mass spectrometer  

DOE Patents [OSTI]

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).

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

1996-01-01T23:59:59.000Z

375

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

SciTech Connect (OSTI)

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.

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

376

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

E-Print Network [OSTI]

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

Militzer, Burkhard

377

BP and Hydrogen Pipelines DOE Hydrogen Pipeline Working Group Workshop  

E-Print Network [OSTI]

BP and Hydrogen Pipelines DOE Hydrogen Pipeline Working Group Workshop August 30-31, 2005 Gary P · UK partnership opened the first hydrogen demonstration refueling station · Two hydrogen pipelines l · " i i l i 2 i i ll i i l pl ifi i · 8" ly idl i i l s Hydrogen Pipelines Two nes, on y a brand

378

Hawaii hydrogen power park Hawaii Hydrogen Power Park  

E-Print Network [OSTI]

. (Barrier R ­ Cost) Generate public interest & support. (Barrier S­Siting) #12;Hawaii hydrogen power park H Electrolyzer ValveManifold Water High Pressure H2 Storage Fuel Cell AC Power H2 Compressor Hydrogen Supply O2Hawaii hydrogen power park H Hawaii Hydrogen Power Park 2003 Hydrogen & Fuel Cells Merit Review

379

Methods for preparation of catalytic materials  

SciTech Connect (OSTI)

To establish guidelines for the development of a scientific basis for catalyst preparation is perhaps a very ambitious goal. One would re required first to answer the following rhetorical questions: what are the properties which determine the performance of a catalytic material; how can these properties be introduced, developed, and/or improved during preparation? The answer to these questions involves a comprehensive discussion of the theories of catalysis, which is beyond the scope of this review. The authors will attempt, instead, to provide a rationale for each reader to answer these questions on the basis of his/her own interests. They start the discussion by describing the fundamental steps in producing bulk catalysts and/or catalyst supports. The fundamental processes involved are those derived from traditional three-dimensional chemistry. The topic areas will include single-component and multicomponent metal oxides. Unsupported metallic catalysts are formed by transformations involving physical or chemical processes, and the preparation methods for this class of materials will be discussed next. Attention will then turn to the preparation of supported catalytic materials. The main topics to be discussed will be those related to the interaction between the support and the active phase when they are put together to generate the catalyst. In this approach, the authors exploit the virtually unexplored field of surface, or two-dimensional, physical chemistry. The materials considered include dispersed metals and alloys and composite oxides. 366 refs.

Schwarz, J.A. [Syracuse Univ., NY (United States). Dept. of Chemical Engineering and Materials Science; Contescu, C.; Contescu, A. [Romanian Academy, Bucharest (Romania). Inst. of Physical Chemistry

1995-05-01T23:59:59.000Z

380

Catalytic reactor for low-Btu fuels  

DOE Patents [OSTI]

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.

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

2009-04-21T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

Catalytic bromine recovery from HBr waste  

SciTech Connect (OSTI)

Waste HBr is formed during the bromination of many organic molecules, such as flame retardants, pharmaceuticals, and agricultural chemicals. For over 50 years attempts to recover the bromine from waste HBr by catalytic oxidation have been unsuccessful due to low catalyst activity and stability. The discovery of a new high-activity catalysts with excellent long-term stability and life capable of high HBr conversion below 300{degrees}C has made catalytic oxidation of waste HBr commercially feasible. The oxidation of anhydrous HBr using oxygen is highly exothermic, giving an adiabatic temperature rise of 2000{degrees}C. Use of 48 wt% HBr in the oxidation reduces the adiabatic temperature rise to only 300{degrees}C. A multitubular heat exchanger type of reactor can then be used to manage the heat. A 5,000 kg/yr pilot plant was built to verify the performance of the catalyst, the suitability of the reactor materials of construction, and the multibular reactor concept. The pilot unit has a single full-scale reactor tube 4 m long and 2.54 cm in diameter with a hot oil jacket for heat management. Excellent catalyst stability was observed during a 600 h catalyst-life test. HBr conversion of 99% was maintained throughout the run, and over 360 kg of bromine was produced. The temperature at a localized hot spot near the reactor inlet was only 15-20{degrees}C above the reactor inlet temperature, indicating efficient heat management.

Schubert, P.F.; Beatty, R.D.; Mahajan, S. [Catalytica Inc., Mountain View, CA (United States)

1993-12-31T23:59:59.000Z

382

Hydrogenation of carbonaceous materials  

DOE Patents [OSTI]

A method for reacting pulverized coal with heated hydrogen-rich gas to form hydrocarbon liquids suitable for conversion to fuels wherein the reaction involves injection of pulverized coal entrained in a minimum amount of gas and mixing the entrained coal at ambient temperature with a separate source of heated hydrogen. In accordance with the present invention, the hydrogen is heated by reacting a small portion of the hydrogen-rich gas with oxygen in a first reaction zone to form a gas stream having a temperature in excess of about 1000.degree. C. and comprising a major amount of hydrogen and a minor amount of water vapor. The coal particles then are reacted with the hydrogen in a second reaction zone downstream of the first reaction zone. The products of reaction may be rapidly quenched as they exit the second reaction zone and are subsequently collected.

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

1980-01-01T23:59:59.000Z

383

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

SciTech Connect (OSTI)

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.

R. Q. LONG; R.T. YANG

1998-09-30T23:59:59.000Z

384

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...

385

Hydrogen powered bus  

ScienceCinema (OSTI)

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

None

2013-11-22T23:59:59.000Z

386

Hydrogen energy systems studies  

SciTech Connect (OSTI)

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.

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

1995-09-01T23:59:59.000Z

387

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

DOE Patents [OSTI]

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.

Huffman, Gerald P

2012-09-18T23:59:59.000Z

388

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

DOE Patents [OSTI]

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.

Sobolevskiy, Anatoly; Rossin, Joseph A

2014-04-08T23:59:59.000Z

389

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

E-Print Network [OSTI]

to 717 K, a time range of 3, 2 to 270 minutes, and a sol- vent-lignite ratio (weight basis) range of 0. 32/1 to 3. 68/1 were studied. The experimental results showed that Texas lignite on an as-received basis has the potential of being a very good... Observations, Definitions, and Discussion 32 39 41 45 V. KINETIC MODELLING VI. CONCLUSIONS AND RECOMMENDATIONS 47 79 LITERATURE CITED APPENDIX A APPENDIX B APPENDIX C APPENDIX D 82 84 87 104 113 VITA 123 viii LIST OF TABLES TABLE PAGE 1...

Shumbera, David Allen

1980-01-01T23:59:59.000Z

390

Amorphous Alloy Membranes for High Temperature Hydrogen Separation  

SciTech Connect (OSTI)

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.

Coulter, K

2013-09-30T23:59:59.000Z

391

DIRECT DECOMPOSITION OF METHANE TO HYDROGEN ON METAL LOADED ZEOLITE CATALYST  

SciTech Connect (OSTI)

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.

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

2005-08-01T23:59:59.000Z

392

Hydrogen | Department of Energy  

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

electric cooperatives* to offer net metering to customers who generate electricity using solar energy, wind energy, hydropower, hydrogen, biomass, landfill gas, geothermal energy,...

393

Renewable Hydrogen (Presentation)  

SciTech Connect (OSTI)

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.

Remick, R. J.

2009-11-16T23:59:59.000Z

394

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.

395

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.

396

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...

397

Sustainable hydrogen production  

SciTech Connect (OSTI)

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.

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

1996-01-01T23:59:59.000Z

398

Hydrogen permeation resistant barrier  

DOE Patents [OSTI]

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

McGuire, Joseph C. (Richland, WA); Brehm, William F. (Richland, WA)

1982-01-01T23:59:59.000Z

399

Thin film hydrogen sensor  

DOE Patents [OSTI]

A hydrogen sensor element comprises an essentially inert, electrically-insulating substrate having a thin-film metallization deposited thereon which forms at least two resistors on the substrate. The metallization comprises a layer of Pd or a Pd alloy for sensing hydrogen and an underlying intermediate metal layer for providing enhanced adhesion of the metallization to the substrate. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors, and at least one of the resistors is left uncovered. The difference in electrical resistances of the covered resistor and the uncovered resistor is related to hydrogen concentration in a gas to which the sensor element is exposed.

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

1994-01-01T23:59:59.000Z

400

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...

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

Enhancing hydrogen spillover and storage  

DOE Patents [OSTI]

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.

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

2011-05-31T23:59:59.000Z

402

Enhancing hydrogen spillover and storage  

SciTech Connect (OSTI)

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.

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

2013-02-12T23:59:59.000Z

403

Ability of Catalytic Converters to Reduce Air Pollution  

E-Print Network [OSTI]

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

Nizkorodov, Sergey

404

Electrochemical hydrogen Storage Systems  

SciTech Connect (OSTI)

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

Dr. Digby Macdonald

2010-08-09T23:59:59.000Z

405

Process for exchanging hydrogen isotopes between gaseous hydrogen and water  

DOE Patents [OSTI]

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.

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

1980-08-12T23:59:59.000Z

406

Process for producing carbon monoxide and hydrogen from methanol  

SciTech Connect (OSTI)

A process is described for producing carbon monoxide and hydrogen which comprises contacting methanol vapor at a temperature of 200 degrees to 300 degrees C with an indirectly heated zinc containing catalyst to obtain an effluent gas in which the components of carbon monoxide and hydrogen constitute at least 90% by volume of said gas. At least a part of the impurities from said effluent gas are removed and said effluent gas is deparated into its carbon monoxide and hydrogen components by adsorption. The effluent gas can be separated into its carbon monoxide and hydrogen components by use of a plurality of adsorbers containing zeolite-type molecular sieve material where the zeolite is substantially permeable to hydrogen but sorbs carbon monoxide.

Jockel, H.; Marschner, F.; Moller, F.W.; Mortel, H.

1982-02-23T23:59:59.000Z

407

Membrane for hydrogen recovery from streams containing hydrogen sulfide  

DOE Patents [OSTI]

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.

Agarwal, Pradeep K.

2007-01-16T23:59:59.000Z

408

Investigation of hydrogen transfer in coprocessing using model systems  

SciTech Connect (OSTI)

Coprocessing of coal with petroleum resid involves the reaction of two very different materials: coal is aromatic and resid is naphthenic. Hydrogen transfer is an important mechanism in most coal liquefaction systems. When coal is reacted with a coal-derived solvent, a high hydroaromatic content capable of transferring hydrogen in the solvent is desirable for achieving the desired coal conversions. But, resids tend to be naphthenic rather than hydroaromatic in character. The current study evaluated the reactivity of naphthenic compounds as models for resids in the presence of aromatic acceptors that are representative of the coal structure. The model donor used was perhydropyrene and the model acceptors were phenanthrene and anthracene. Thermal and catalytic reactions were performed at 400 and 440{degrees}C for 30 min in a H{sub 2} or N{sub 2} atmosphere with 1:1 and 5:1 ratios of model donor to model acceptor and with slurry phase catalysts, Mo naphthenate and Ni octoate. In reactions containing anthracene, the presence of perhydropyrene had increased the total amount of hydrogen being accepted by anthracene, while excess perhydropyrene was required to increase the hydrogen accepted by the model phenanthrene. Catalysis by Mo naphthenate promoted hydrogen transfer from perhydropyrene to anthracene, but catalysis by Ni octoate did not.

Shen, J.; Curtis, C.W. [Auburn Univ., AL (United States)

1995-12-31T23:59:59.000Z

409

Hydrogen, Fuel Cells & Infrastructure Technologies ProgramHydrogen, Fuel Cells & Infrastructure Technologies Program Hydrogen Codes &  

E-Print Network [OSTI]

for hydrogen refueling and storage, by 2006; · Complete and adopt the revised NFPA 55 standard for hydrogen storage of hydrogen, by 2008; · Complete U.S. adoption of a Global Technical Regulation (GTR) for hydrogen, storage, and use of hydrogen incorporate project safety requirements into the procurements, by 2005

410

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

E-Print Network [OSTI]

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

Boyer, Edmond

411

Thick film hydrogen sensor  

DOE Patents [OSTI]

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.

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

1995-01-01T23:59:59.000Z

412

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

413

Hydrogen, Fuel Infrastructure  

E-Print Network [OSTI]

results of using hydrogen power, of course, will be energy independence for this nation... think about between hydrogen and oxygen generates energy, which can be used to power a car producing only water to taking these cars from laboratory to showroom so that the first car driven by a child born today could

414

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.

415

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

SciTech Connect (OSTI)

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.

Ekerdt, John G.

1999-07-31T23:59:59.000Z

416

Fundamental hydrogen interactions with beryllium : a magnetic fusion perspective.  

SciTech Connect (OSTI)

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.

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

417

Catalytic cracking of residual petroleum fractions  

SciTech Connect (OSTI)

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.

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

418

Contact structure for use in catalytic distillation  

DOE Patents [OSTI]

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.

Jones, E.M. Jr.

1984-03-27T23:59:59.000Z

419

Contact structure for use in catalytic distillation  

DOE Patents [OSTI]

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.

Jones, E.M. Jr.

1985-08-20T23:59:59.000Z

420

Contact structure for use in catalytic distillation  

DOE Patents [OSTI]

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.

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

1984-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Contact structure for use in catalytic distillation  

DOE Patents [OSTI]

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.

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

1985-01-01T23:59:59.000Z

422

Renewable Resources for Hydrogen (Presentation)  

SciTech Connect (OSTI)

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.

Jalalzadeh-Azar, A. A.

2010-05-03T23:59:59.000Z

423

Hydrogen in semiconductors and insulators  

E-Print Network [OSTI]

type can be applied to hydrogen storage materials. Keywords:can be applied to hydrogen storage materials. Manuscript O-of the formalism to hydrogen storage materials. A partial

Van de Walle, Chris G.

2007-01-01T23:59:59.000Z

424

The Bumpy Road to Hydrogen  

E-Print Network [OSTI]

in the cost of hydrogen production, distribution, and use.accelerate R&D of zero-emission hydrogen production methods.Renewable hydrogen production is a key area for focused

Sperling, Dan; Ogden, Joan M

2006-01-01T23:59:59.000Z

425

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

426

The Bumpy Road to Hydrogen  

E-Print Network [OSTI]

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

Sperling, Dan; Ogden, Joan M

2006-01-01T23:59:59.000Z

427

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

SciTech Connect (OSTI)

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.

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

1995-12-31T23:59:59.000Z

428

Hydrogen Fuel Quality  

SciTech Connect (OSTI)

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.

Rockward, Tommy [Los Alamos National Laboratory

2012-07-16T23:59:59.000Z

429

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

SciTech Connect (OSTI)

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.

Ted Oyama, Foster Agblevor, Francine Battaglia, Michael Klein

2013-01-18T23:59:59.000Z

430

Dehydrogenation of liquid fuel in microchannel catalytic reactor  

DOE Patents [OSTI]

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.

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

2010-08-03T23:59:59.000Z

431

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). ItĆs 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

432

Molecular Mechanism of Biological Proton Transport  

SciTech Connect (OSTI)

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.

Pomes, R.

1998-09-01T23:59:59.000Z

433

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

E-Print Network [OSTI]

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 -

Loveless, Brett

2012-01-01T23:59:59.000Z

434

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

E-Print Network [OSTI]

such as actuators, sensors, pumps, and autonomous vehicles. So far, the most efficient micro/nanoscale motors to convert the stored chemical energy of fuels, such as ATP, into mechanical energy. In contrast, most with Pt catalysts at one end moved autonomously at the air/H2O2 solution interface.6 In that case

435

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

E-Print Network [OSTI]

were then evaluated using a computerized array channel microreactor system and mass spectrometry high cost (about $5.00/gal) of production relative to inexpensive petroleum prices. This neces- sitated government subsidies.5 The economic future of ethanol production looks even more favorable when one consid

Senkan, Selim M.

436

Catalytic Hydrogenation of Bio-Oil for Chemicals and Fuels. | EMSL  

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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New Substation Sites ProposedOccupational Health Services|Dimethyl

437

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 Data Center Home Page on Delicious Rank EERE:YearRound-Up fromDepartmentTie Ltd:June 20154:04-21-2014InnovativeCatalyst-Assisted2010 DOE

438

Development of mixed-conducting ceramic membranes for hydrogen separation.  

SciTech Connect (OSTI)

SrCeO{sub 3}- and BaCeO{sub 3}-based proton conductors have been prepared and their transport properties have been investigated by impedance spectroscopy in conjunction with open circuit voltage and water vapor evolution measurements. BaCe{sub 0.8}Y{sub 0.2}O{sub 3-{delta}} exhibits the highest conductivity in a hydrogen-containing atmosphere; however, its electronic conductivity is not adequate for hydrogen separation in a nongalvanic mode. In an effort to enhance ambipolar conductivity and improve interfacial catalytic properties, BaCe{sub 0.8}Y{sub 0.2}O{sub 3-{delta}} cermets have been fabricated into membranes. The effects of ambipolar conductivity, membrane thickness, and interfacial resistance on permeation rates have been investigated. In particular, the significance of interfacial resistance is emphasized.

Guan, J.

1998-05-18T23:59:59.000Z

439

Tubular hydrogen permeable metal foil membrane and method of fabrication  

DOE Patents [OSTI]

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.

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

2006-04-04T23:59:59.000Z

440

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

E-Print Network [OSTI]

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 ...

Meredith, Laura Kelsey

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

Advancing the Hydrogen Safety Knowledge Base  

SciTech Connect (OSTI)

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

Weiner, Steven C.

2014-12-01T23:59:59.000Z

442

Magnetismo Molecular (Molecular Magentism)  

SciTech Connect (OSTI)

The new synthesis processes in chemistry open a new world of research, new and surprising materials never before found in nature can now be synthesized and, as a wonderful result, observed a series of physical phenomena never before imagined. Among these are many new materials the molecular magnets, the subject of this book and magnetic properties that are often reflections of the quantum behavior of these materials. Aside from the wonderful experience of exploring something new, the theoretical models that describe the behavior these magnetic materials are, in most cases, soluble analytically, which allows us to know in detail the physical mechanisms governing these materials. Still, the academic interest in parallel this subject, these materials have a number of properties that are promising to be used in technological devices, such as in computers quantum magnetic recording, magnetocaloric effect, spintronics and many other devices. This volume will journey through the world of molecular magnets, from the structural description of these materials to state of the art research.

Reis, Mario S [Universidade Federal Fluminense, Brasil; Moreira Dos Santos, Antonio F [ORNL

2010-07-01T23:59:59.000Z

443

Sequential tasks performed by catalytic pumps for colloidal crystallization  

E-Print Network [OSTI]

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.

Ali Afshar Farniya; Maria J. Esplandiu; Adrian Bachtold

2014-10-20T23:59:59.000Z

444

Atomic and molecular adsorption on RhMn alloy surface: A first principles study  

E-Print Network [OSTI]

and hydrogen from reforming of natural gas and coal to hydro- carbon Fishcher-Tropsch synthesis and oxygenates- bon and partial oxidation of methane.15 The importance of Rh catalysts on catalytic reactions molecules in terms of the energetics and site preferences on Rh catalysts as well as the effects of Mn added

Li, Weixue

445

Chromatographic hydrogen isotope separation  

DOE Patents [OSTI]

Intermetallic compounds with the CaCu.sub.5 type of crystal structure, particularly LaNiCo.sub.4 and CaNi.sub.5, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation colum. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale mutli-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen can produce large quantities of heavy water at an effective cost for use in heavy water reactors.

Aldridge, Frederick T. (Livermore, CA)

1981-01-01T23:59:59.000Z

446

NREL's Hydrogen Program  

SciTech Connect (OSTI)

The research and development taking place today at the National Renewable Energy Laboratory (NREL) is paving the way for nature's most plentiful element—hydrogen—to power the next generation. NREL researchers are working to unlock the potential of hydrogen and to advance the fuel cell technologies that will power the automobiles, equipment, and buildings of tomorrow. Hydrogen and fuel cells are a fundamental part of the broader portfolio of renewable technologies that are moving our nation toward its goals of energy independence and sustainability.

None

2011-01-01T23:59:59.000Z

447

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

SciTech Connect (OSTI)

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.

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

1987-11-20T23:59:59.000Z

448

Hydrogen permeability and Integrity of hydrogen transfer pipelines  

E-Print Network [OSTI]

Hydrogen permeability and Integrity of hydrogen transfer pipelines Team: Sudarsanam Suresh Babu, Z Pressure Permeation Testing) Hydrogen Pipeline R&D, Project Review Meeting Oak Ridge National Laboratory direction and review) #12;Outline of the presentation Background Hydrogen delivery through steel pipelines

449

Hydrogen plasma enhanced crystallization of hydrogenated amorphous silicon films  

E-Print Network [OSTI]

Hydrogen plasma enhanced crystallization of hydrogenated amorphous silicon films K. Pangal,a) J. C August 1998; accepted for publication 21 October 1998 We report that a room temperature hydrogen plasma thermal crystallization of amorphous silicon time by a factor of five. Exposure to hydrogen plasma reduces

450

Method of producing metallized chloroplasts and use thereof in the photochemical production of hydrogen and oxygen  

DOE Patents [OSTI]

The invention is primarily a metallized chloroplast composition for use in a photosynthetic reaction. A catalytic metal is precipitated on a chloroplast membrane at the location where a catalyzed reduction reaction occurs. This metallized chloroplast is stabilized by depositing it on a support medium such as fiber so that it can be easily handled. A possible application of this invention is the splitting of water to form hydrogen and oxygen that can be used as a renewable energy source.

Greenbaum, Elias (Oak Ridge, TN)

1987-01-01T23:59:59.000Z

451

Effect of nickel grid parameters on production of negative hydrogen ions  

SciTech Connect (OSTI)

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.

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

452

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

E-Print Network [OSTI]

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

Cohen, Ronald C.

453

A Density Functional Theory Study of Hydrogen Adsorption in MOF-5 Tim Mueller and Gerbrand Ceder*  

E-Print Network [OSTI]

A Density Functional Theory Study of Hydrogen Adsorption in MOF-5 Tim Mueller and Gerbrand Ceder initio molecular dynamics in the generalized gradient approximation to density functional theory to store hydrogen with sufficient gravimetric and volumetric densities to be economi- cally practical

Ceder, Gerbrand

454

Effect of Organic Capping Layers over Monodisperse Platinum Nanoparticles upon Activity for Ethylene Hydrogenation and Carbon Monoxide Oxidation  

SciTech Connect (OSTI)

The influence of oleylamine (OA), trimethyl tetradecyl ammonium bromide (TTAB), and polyvinlypyrrolidone (PVP) capping agents upon the catalytic properties of Pt/silica catalysts was evaluated. Pt nanoparticles that were 1.5 nm in size were synthesized by the same procedure (ethylene glycol reduction under basic conditions) with the various capping agents added afterward for stabilization. Before examining catalytic properties for ethylene hydrogenation and CO oxidation, the Pt NPs were deposited onto mesoporous silica (SBA-15) supports and characterized by transmission electron microscopy (TEM), H{sub 2} chemisorption, and elemental analysis (ICP-MS). PVP- and TTAB-capped Pt yielded mass-normalized reaction rates that decreased with increasing pretreatment temperature, and this trend was attributed to the partial coverage of the Pt surface with decomposition products from the organic capping agent. Once normalized to the Pt surface area, similar intrinsic activities were obtained regardless of the pretreatment temperature, which indicated no influence on the nature of the active sites. Consequently, a chemical probe technique using intrinsic activity for ethylene hydrogenation was demonstrated as an acceptable method for estimating the metallic surface areas of Pt. Amine (OA) capping exhibited a detrimental influence on the catalytic properties as severe deactivation and low activity were observed for ethylene hydrogenation and CO oxidation, respectively. These results were consistent with amine groups being strong poisons for Pt surfaces, and revealed the need to consider the effects of capping agents on the catalytic properties.

Kuhn, John N.; Tsung, Chia-Kuang; Huang, Wenyu; Somorjai, Gabor A.

2009-03-24T23:59:59.000Z

455

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

SciTech Connect (OSTI)

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)

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

1981-09-01T23:59:59.000Z

456

Hydrogen storage compositions  

DOE Patents [OSTI]

Compositions for hydrogen storage and methods of making such compositions employ an alloy that exhibits reversible formation/deformation of BH4- anions. The composition includes a ternary alloy including magnesium, boron and a metal and a metal hydride. The ternary alloy and the metal hydride are present in an amount sufficient to render the composition capable of hydrogen storage. The molar ratio of the metal to magnesium and boron in the alloy is such that the alloy exhibits reversible formation/deformation of BH4- anions. The hydrogen storage composition is prepared by combining magnesium, boron and a metal to prepare a ternary alloy and combining the ternary alloy with a metal hydride to form the hydrogen storage composition.

Li, Wen; Vajo, John J.; Cumberland, Robert W.; Liu, Ping

2011-04-19T23:59:59.000Z

457

National Hydrogen Energy Roadmap  

Fuel Cell Technologies Publication and Product Library (EERE)

This report was unveiled by Energy Secretary Spencer Abraham in November 2002 and provides a blueprint for the coordinated, long-term, public and private efforts required for hydrogen energy developme

458

The Hydrogen Connection  

SciTech Connect (OSTI)

As the world seeks to identify alternative energy sources, hydrogen and fuel cell technologies will offer a broad range of benefits for the environment, the economy and energy security.

Barilo, Nick F.

2014-05-01T23:59:59.000Z

459

Thin film hydrogen sensor  

DOE Patents [OSTI]

A hydrogen sensor element comprises an essentially inert, electrically-insulating substrate having a thin-film metallization deposited thereon which forms at least two resistors on the substrate. The metallization comprises a layer of Pd or a Pd alloy for sensing hydrogen and an underlying intermediate metal layer for providing enhanced adhesion of the metallization to the substrate. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors, and at least one of the resistors is left uncovered. The difference in electrical resistances of the covered resistor and the uncovered resistor is related to hydrogen concentration in a gas to which the sensor element is exposed. 6 figs.

Lauf, R.J.; Hoffheins, B.S.; Fleming, P.H.

1994-11-22T23:59:59.000Z

460

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

SciTech Connect (OSTI)

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.

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

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


461

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

462

Webinar: Hydrogen Compatibility of Materials  

Broader source: Energy.gov [DOE]

Video recording of the webinar titled, Hydrogen Compatibility of Materials, originally presented on August 13, 2013.

463

Bulk Hydrogen Strategic Directions for  

E-Print Network [OSTI]

Bulk Hydrogen Storage Strategic Directions for Hydrogen Delivery Workshop May 7-8, 2003 Crystal City, Virginia #12;Breakout Session - Bulk Hydrogen Storage Main Themes/Caveats Bulk Storage = Anything storage is an economic solution to address supply/demand imbalance #12;Breakout Session - Bulk Hydrogen

464

Nanostructured materials for hydrogen storage  

DOE Patents [OSTI]

A system for hydrogen storage comprising a porous nano-structured material with hydrogen absorbed on the surfaces of the porous nano-structured material. The system of hydrogen storage comprises absorbing hydrogen on the surfaces of a porous nano-structured semiconductor material.

Williamson, Andrew J. (Pleasanton, CA); Reboredo, Fernando A. (Pleasanton, CA)

2007-12-04T23:59:59.000Z

465

CODE OF PRACTICE HYDROGEN SULFIDE  

E-Print Network [OSTI]

CODE OF PRACTICE HYDROGEN SULFIDE Rev January 2013 1 The following generic Code of Practice applies to all work areas within the University of Alberta that use hydrogen sulfide gas or where hydrogen response procedure requirements. All work areas where hydrogen sulfide is used or may be present within

Machel, Hans

466

CATALYTIC MICROWAVE PYROLYSIS OF BIOMASS FOR RENEWABLE PHENOLS AND FUELS .  

E-Print Network [OSTI]

??Bio-oil is an unstable intermediate and needs to be upgraded before its use. This study focused on improving the selectivity of bio-oilby catalytic pyrolysis of… (more)

[No author

2013-01-01T23:59:59.000Z

467

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...