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Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
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1

Molecular catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids.  

Science Conference Proceedings (OSTI)

This report presents the results of research on the development of new catalytic pathways for the hydrogenation of multiring aromatic hydrocarbons and the hydrotreating of coal liquids at The University of Chicago under DOE Contract No. DE-AC22-91PC91056. The work, which is described in three parts, is primarily concerned with the research on the development of new catalytic systems for the hydrogenation of aromatic hydrocarbons and for the improvement of the quality of coal liquids by the addition of dihydrogen. Part A discusses the activation of dihydrogen by very basic molecular reagents to form adducts that can facilitate the reduction of multiring aromatic hydrocarbons. Part B examines the hydrotreating of coal liquids catalyzed by the same base-activated dihydrogen complexes. Part C concerns studies of molecular organometallic catalysts for the hydrogenation of monocyclic aromatic hydrocarbons under mild conditions.

Yang, Shiyong; Stock, L.M.

1996-05-01T23:59:59.000Z

2

Homogeneous catalytic hydrogenations of complex carbonaceous substrates. [16 references  

SciTech Connect

Results of homogeneous catalytic hydrogenation of complex unsaturated substrates including coal and coal-derived materials are reported, with organic soluble molecular complexes as catalysts. Among the substrates used were Hvab coal, solvent-refined coal, and COED pyrolysate. The hydrogenations were carried out in an autoclave. The results are summarized in tables.

Cox, J L; Wilcox, W A; Roberts, G L

1976-11-05T23:59:59.000Z

3

Performance characterization of a hydrogen catalytic heater.  

DOE Green Energy (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

4

Catalytic Hydrogenation of Glutamic Acid  

Science Conference Proceedings (OSTI)

Technology to convert biomass to chemical building blocks provides an opportunity to displace fossil fuels and increase the economic viability of bio-refineries. Coupling fermentation capability with aqueous phase catalysis provides novel routes to monomers and chemicals, including those not accessible from petrochemical routes. Glutamic acid provides a platform to numerous compounds through thermochemical approaches including, hydrogentation, cyclyization, decarboxylation and deamination. Hydrogenation of amino acids also provides access into chiral compounds with high enantio-purity. This paper details aqueous phase hydrogenation reactions we have developed that lead to valuable chemical intermediates from glutamic acid.

Holladay, John E.; Werpy, Todd A.; Muzatko, Danielle S.

2004-05-01T23:59:59.000Z

5

Catalytic carbon membranes for hydrogen production  

DOE Green Energy (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

Purification of reformer streams by catalytic hydrogenation  

Science Conference Proceedings (OSTI)

Catalytic Reforming is one of the most important processes to produce high grade motor gasolines. Feedstocks are mainly gasoline and naphtha streams from the crude oil distillation boiling in the range of 212 F to 350 F. By catalytic reforming the octane number of these gasoline components is increased from 40--60 RON to 95--100 RON. Besides isomerization and dehydrocyclization reactions mainly formation of aromatics by dehydrogenation of naphthenes occur. Thus, catalytic reformers within refineries are an important source of BTX--aromatics (benzene, toluene, xylenes). Frequently, high purity aromatics are recovered from these streams using modern extractive distillation or liquid extraction processes, e.g. the Krupp-Koppers MORPHYLANE{reg_sign} process. Aromatics product specifications, notably bromine index and acid wash color, have obligated producers to utilize clay treatment to remove trace impurities of diolefins and/or olefins. The conventional clay treatment is a multiple vessel batch process which periodically requires disposal of the spent clay in a suitable environmental manner. BASF, in close cooperation with Krupp-Koppers, has developed a continuous Selective Catalytic Hydrogenation Process (SCHP) as an alternative to clay treatment which is very efficient, cost effective and environmentally compatible. In the following the main process aspects including the process scheme catalyst and operating conditions is described.

Polanek, P.J. [BASF Corp., Geismar, LA (United States); Hooper, H.M. [Krupp Wilputte Corp., Bridgeville, PA (United States); Mueller, J.; Walter, M. [BASF AG, Ludwigshafen (Germany); Emmrich, G. [Krupp Koppers GmbH, Essen (Germany)

1996-12-01T23:59:59.000Z

7

Microchannel Reactor System for Catalytic Hydrogenation  

Science Conference Proceedings (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

8

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

9

Hydrogen-assisted catalytic ignition characteristics of different fuels  

SciTech Connect

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

Zhong, Bei-Jing; Yang, Fan [Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Engineering Mechanics, Tsinghua University, Beijing 100084 (China); Yang, Qing-Tao [Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Engineering Mechanics, Tsinghua University, Beijing 100084 (China); China Aerodynamics Research and Development Center, Mianyang 621000 (China)

2010-10-15T23:59:59.000Z

10

Simulation of Hydrogen Production from Biomass Catalytic Gasification  

Science Conference Proceedings (OSTI)

In this study, biomass catalytic gasification process for producing H2-rich gas was presented. The process consists of mainly two fluidized bedsa gasifier and a CaO regenerator. The objective of this research is to develop a computer model of ... Keywords: biomass gasification, hydrogen production, Aspen Plus

Shan Cheng; Qian Wang; Hengsong Ji

2010-12-01T23:59:59.000Z

11

NMR Studies of Molecular Hydrogen in Hydrogenated Amorphous Silicon  

DOE Green Energy (OSTI)

Using NMR, the concentrations of molecular hydrogen have been measured directly in hydrogenated amorphous silicon made by the hot wire chemical vapor deposition (HWCVD) technique.

Su, T.; Chen, S.; Taylor, P. C.; Crandall, R. S.; Mahan, A. H.

2000-01-01T23:59:59.000Z

12

CATALYTICALLY ENCHANCED SYSTEMS FOR HYDROGEN STORAGE  

DOE Green Energy (OSTI)

Previous U.S. DOE sponsored research at the University of Hawaii resulted in the development of methods of doping of sodium aluminum hydride, NaAlH4 with titanium, zirconium and other catalysts such that: dehydriding occurs at temperatures as low as 100C; rehydriding requires less than 1 h; and >4 weight percent hydrogen can be repeatedly cycled through dehydriding/rehydriding. These materials appeared to be on the threshold of practical viability as hydrogen carriers for onboard fuel cells. However, it was apparent that further kinetic enhancement was required to achieve commercial viability. Thus, one of the primary goals of this project was to develop the requisite improved catalysts. Over the course of this project, a variety of titanium and zirconium dopant precursors were investigated. Moreover, the approach was to conduct guided search for improved catalysts by obtaining a fundamental understanding of the chemical nature of the titanium dopants and their mechanism of action. Therefore, the projected also aimed to determined the chemical nature of the titanium species that are formed upon mechanical milling of NaAlH4 with the dopant precursors through synchrotron X-ray and neutron diffraction as well as transmission electron microscopy, scanning electron microscopy, and electron paramagnetic resonance (EPR) spectroscopy. In addition to kinetic studies, insight into the mechanism of action of the dopants was gained through studies of the destabilization of hydrogen in NaAlH4 by the dopants through infrared, NMR, and anelastic spectroscopy.

Craig M. Jensen

2007-04-23T23:59:59.000Z

13

Separation of hydrogen from a catalytic reforming zone effluent stream  

Science Conference Proceedings (OSTI)

A process for the catalytic reforming of a hydrocarbonaceous feedstock at reforming conditions including a pressure of from about 50 to about 250 psig. Is disclosed. A portion of the hydrogen-rich vapor phase recovered from the reforming zone effluent at a relatively low pressure is compressed and recycled to the reforming zone without further purification. The balance of said hydrogen-rich vapor phase, or the net hydrogen, is compressed to a relatively high pressure and recontacted with at least a portion of the liquid hydrocarbon phase recovered from said low pressure separation to effect a further purification of said net hydrogen and to maximize the recovery of C/sub 3/-C/sub 6/+ the liquid phase.

Schmelzer, E.; Tagamolila, C.P.

1983-02-22T23:59:59.000Z

14

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

SciTech Connect

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 NiO- 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 NiO 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

15

Catalytic carbon membranes for hydrogen production. Final report  

DOE Green Energy (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

16

Coal hydrogenation and deashing in ebullated bed catalytic reactor  

SciTech Connect

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

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

1983-01-01T23:59:59.000Z

17

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

18

DWPF CATALYTIC HYDROGEN GENERATION PROGRAM - REVIEW OF CURRENT STATUS  

DOE Green Energy (OSTI)

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

Koopman, D.

2009-07-10T23:59:59.000Z

19

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

20

Separation and recovery of hydrogen and normally gaseous hydrocarbons from net excess hydrogen from a catalytic reforming process  

Science Conference Proceedings (OSTI)

A process is disclosed for the catalytic reforming of hydrocarbons in the presence of hydrogen, preferably to produce high quality gasoline boiling range products. An improved recovery of normally gaseous hydrocarbons from the net excess hydrogen is realized by chilling and contacting said hydrogen with a normally liquid hydrocarbon stream in a plural stage absorption zone at an elevated pressure.

Scheifele, C.A.

1982-06-08T23:59:59.000Z

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

Recovery of normally gaseous hydrocarbons from net excess hydrogen in a catalytic reforming process  

Science Conference Proceedings (OSTI)

A process is disclosed for the catalytic reforming of hydrocarbons in the presence of hydrogen, preferably to produce high quality gasoline boiling range products. An improved recovery of normally gaseous hydrocarbons from the net excess hydrogen is realized by chilling and contacting said hydrogen with a normally liquid hydrocarbon stream in a plural stage absorption zone at an elevated pressure.

Scheifele, C.A.

1982-06-08T23:59:59.000Z

22

Modelling and Experimental Study of Methane Catalytic Cracking as a Hydrogen Production Technology.  

E-Print Network (OSTI)

??Production of hydrogen is primarily achieved via catalytic steam reforming, partial oxidation,and auto-thermal reforming of natural gas. Although these processes are mature technologies, they are (more)

Amin, Ashraf Mukhtar Lotfi

2011-01-01T23:59:59.000Z

23

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

24

Molecular Cell Hydrogen Sulfide-Linked Sulfhydration  

E-Print Network (OSTI)

Molecular Cell Article Hydrogen Sulfide-Linked Sulfhydration of NF-kB Mediates Its Antiapoptotic@jhmi.edu DOI 10.1016/j.molcel.2011.10.021 SUMMARY Nuclear factor kB (NF-kB) is an antiapoptotic tran- scription factor. We show that the antiapoptotic actions of NF-kB are mediated by hydrogen sulfide (H2S

Dong, Xinzhong

25

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

26

Review of literature on catalytic recombination of hydrogen--oxygen. [Removal of hydrogen from containment atmosphere following LWR blowdown  

DOE Green Energy (OSTI)

The results are reported of a literature search for information concerning the heterogeneous, gas phase, catalytic hydrogen-oxygen recombination. Laboratory scale experiments to test the performance of specific metal oxide catalysts under conditions simulating the atmosphere within a nuclear reactor containment vessel following a loss-of-coolant blowdown accident are suggested.

Homsy, R.V.; Glatron, C.A.

1968-05-03T23:59:59.000Z

27

Oxidation of hydrogen halides to elemental halogens with catalytic molten salt mixtures  

DOE Patents (OSTI)

A process for oxidizing hydrogen halides by means of a catalytically active molten salt is disclosed. The subject hydrogen halide is contacted with a molten salt containing an oxygen compound of vanadium and alkali metal sulfates and pyrosulfates to produce an effluent gas stream rich in the elemental halogen. The reduced vanadium which remains after this contacting is regenerated to the active higher valence state by contacting the spent molten salt with a stream of oxygen-bearing gas.

Rohrmann, Charles A. (Kennewick, WA)

1978-01-01T23:59:59.000Z

28

Separation of normally gaseous hydrocarbons from a catalytic reforming effluent and recovery of purified hydrogen  

Science Conference Proceedings (OSTI)

A process for the catalytic reforming of a hydrocarbonaceous feedstock, preferably to produce high quality gasoline boiling range products, is disclosed. Relatively impure hydrogen is separated from the reforming zone effluent, compressed, and recontacted with at least a portion of the liquid reformate product to provide relatively pure hydrogen, a portion of which is recycled to the reforming zone. The balance is further compressed and recontacted with at least a portion of the liquid reformate product to provide an improved recovery of normally gaseous hydrocarbons as well as an improved recovery of purified hydrogen at a pressure suitable for use in the relatively high pressure hydrotreating of sulfur-containing feedstocks.

Coste, A.C.

1982-06-08T23:59:59.000Z

29

Method of generating hydrogen by catalytic decomposition of water  

DOE Green Energy (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

30

Catalytic Hydrogenation of Bio-Oil for Chemicals and Fuels  

DOE Green Energy (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

31

Catalytic hydrogenation process and apparatus with improved vapor liquid separation  

DOE Patents (OSTI)

A continuous hydrogenation process and apparatus wherein liquids are contacted with hydrogen in an ebullated catalyst reaction zone with the liquids and gas flowing vertically upwardly through that zone into a second zone substantially free of catalyst particles and wherein the liquid and gases are directed against an upwardly inclining surface through which vertical conduits are placed having inlet ends at different levels in the liquid and having outlet ends at different levels above the inclined surface, such that vapor-rich liquid is collected and discharged through conduits terminating at a higher level above the inclined surface than the vapor-poor liquid which is collected and discharged at a level lower than the inclined surface.

Chervenak, Michael C. (Pennington, NJ); Comolli, Alfred G. (Trenton, NJ)

1980-01-01T23:59:59.000Z

32

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

33

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

34

FORMIC ACID FREE FLOWSHEET DEVELOPMENT TO ELIMINATE CATALYTIC HYDROGEN GENERATION IN THE DEFENSE WASTE PROCESSING  

SciTech Connect

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 DWPFs 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, D.; Stone, M.; Newell, J.; Fellinger, T.; Bricker, J.

2012-09-14T23:59:59.000Z

35

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

Science Conference Proceedings (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.

2012-09-14T23:59:59.000Z

36

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

DOE Patents (OSTI)

This disclosure describes 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. It is comprised of (1) 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 (2) 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, W.J.; Thorne, L.R.; Volponi, J.V.

1986-06-10T23:59:59.000Z

37

Elimination Of Catalytic Hydrogen Generation In Defense Waste Processing Facility Slurries  

Science Conference Proceedings (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 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

38

Hydrogen Oxidation-Driven Hot Electron Flow Detected by Catalytic Nanodiodes  

DOE Green Energy (OSTI)

Hydrogen oxidation on platinum is shown to be a surface catalytic chemical reaction that generates a steady state flux of hot (>1 eV) conduction electrons. These hot electrons are detected as a steady-state chemicurrent across Pt/TiO{sub 2} Schottky diodes whose Pt surface is exposed to hydrogen and oxygen. Kinetic studies establish that the chemicurrent is proportional to turnover frequency for temperatures ranging from 298 to 373 K for P{sub H2} between 1 and 8 Torr and P{sub O2} at 760 Torr. Both chemicurrent and turnover frequency exhibit a first order dependence on P{sub H2}.

Hervier, Antoine; Renzas, J. Russell; Park, Jeong Y.; Somorjai, Gabor A.

2009-07-20T23:59:59.000Z

39

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

DOE Patents (OSTI)

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

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

2001-01-01T23:59:59.000Z

40

Production of SNG from shale oil by catalytic gasification in a steam-hydrogen atmosphere  

DOE Green Energy (OSTI)

This report presents the results from experiments performed at the Laramie Energy Technology Center (LETC) of the Department of Energy (DOE) to produce a substitute natural gas (SNG) from shale oil via catalytic gasification in a steam-hydrogen atmosphere. Also contained is a comparison of the yields of SNG obtained with those from previous experiments performed at LETC in which shale oil was catalytically gasified in a pure hydrogen atmosphere. The maximum yield of gas obtained in the Stream-hydrogen experiments corresponded to 75 wt % of the feed carbon being recovered as gas. This maximum yield was obtained at the highest temperature (1300/sup 0/F (978/sup 0/K)) and hydrogen partial pressure (900 psig (6205 kPa)) tested, while the gas yield for gasification in a pure hydrogen atmosphere was 86 wt % of feed carbon at similar operating conditions. The reduced yield was attributed to poisoning of the cobalt-molybdate catalyst employed by carbon monoxide generated in small amounts from the reaction of steam with carbon and/or hydrocarons in the gasification reactor.

Stagner, M.J.; Barker, L.K.

1979-12-01T23:59:59.000Z

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.


41

Ni-Based Molecular Electrocatalysts for Hydrogen Oxidation  

NLE Websites -- All DOE Office Websites (Extended Search)

Ni-Based Molecular Electrocatalysts for Hydrogen Oxidation Dan DuBois National Renewable Energy Laboratory Nicolet, Y.; de Lacey, A. L.; Vernde, X.; Fernandez, V. M.; Hatchikian,...

42

Elimination Of Catalytic Hydrogen Generation In Defense Waste Processing Facility Slurries  

SciTech Connect

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

43

Separation of normally gaseous hydrocarbons from a catalytic reforming effluent and recovery of purified hydrogen  

Science Conference Proceedings (OSTI)

A process for the catalytic reforming of a hydrocarbonaceous feedstock, preferably to produce high quality gasoline boiling range products, is disclosed. Relatively impure hydrogen is separated from the reforming zone effluent, compressed, and recontacted with at least a portion of the liquid reformate product to provide relatively pure hydrogen, a portion of which is recycled to the reforming zone. The balance is further compressed and recontacted with at least a portion of the liquid reformate product in a plural stage absorption zone to provide an improved recovery of normally gaseous hydrocarbons as well as an improved recovery of purified hydrogen at a pressure suitable, for example, the relatively high pressure hydrotreating of sulfur-containing feedstocks.

O'brien, D.E.

1982-06-08T23:59:59.000Z

44

Method for heavy-water extraction from non-electrolytic hydrogen streams using a combined electrolysis and catalytic exchange system  

SciTech Connect

A method is disclosed for heavy-water extraction from nonelectrolytic hydrogen streams using a modified combined electrolysis and catalytic exchange-heavy water process (Cecehwp). The method comprises contacting feed water in a catalyst column with hydrogen gas originating partly from such nonelectrolytic hydrogen stream and partly from an electrolytic hydrogen stream so as to enrich the feed water with deuterium extracted from both the non-electrolytic and electrolytic hydrogen gas, and passing the deuterium enriched water to an electrolyzer wherein the electrolytic hydrogen gas is generated and then fed through the catalyst column.

Butler, J.P.; Hammerli, M.; Leroy, R.L.

1980-09-30T23:59:59.000Z

45

NOVEL CATALYTIC EFFECTS OF FULLERENE FOR LIBH4 HYDROGEN UPTAKE AND RELEASE  

DOE Green Energy (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

46

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. 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

47

Pt loaded carbon aerogel catalyst for catalytic exchange reactions between water and hydrogen gas  

Science Conference Proceedings (OSTI)

We report development and characterization of platinum doped carbon aerogel catalyst for catalytic exchange reactions between water and hydrogen gas. The carbon aerogel with uniformly dispersed platinum nanoparticles was prepared by adding platinum precursor during the sol-gel process. Thereafter colloidal PTFE was mixed with the platinum doped carbon aerogel powder and coated on Dixon rings to obtain hydrophobic catalyst with required mechanical strength. Detailed studies have been carried out to observe the effect of physical characteristics of the catalyst powder (surface area and pore size of aerogels

P. K. Gupta

2013-01-01T23:59:59.000Z

48

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

DOE Green Energy (OSTI)

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

Koopman, D. C.

2004-12-31T23:59:59.000Z

49

Molecular Transport/Microporous Hydrogen Separation Systems  

NLE Websites -- All DOE Office Websites (Extended Search)

Transport Microporous Hydrogen Separation Systems Participants Acquaviva, Jim: Armstrong, Tim: Asaro, Marianne: Berchtold, Kathryn: Bischoff, Brian: Cornelius, Chris: Huang,...

50

Biomass to hydrogen via fast pyrolysis and catalytic steam reforming of the pyrolysis oil or its fractions  

Science Conference Proceedings (OSTI)

Pyrolysis of lignocellulosic biomass and reforming of the pyroligneous oils are being studied as a strategy for producing hydrogen. A process of this nature has the potential to be cost competitive with conventional means of producing hydrogen. The authors propose a regionalized system of hydrogen production, where small- and medium-sized pyrolysis units (catalytic reforming of model compounds to hydrogen using Ni-based catalysts have achieved essentially complete conversion to H{sub 2}. Existing data on the catalytic reforming of oxygenates have been studied to guide catalyst selection. A process diagram for the pyrolysis and reforming operations is discussed, as are initial production cost estimates. A window of opportunity clearly exists if the bio-oil is first refined to yield valuable oxygenates so that only a residual fraction is used for hydrogen production.

Wang, D.; Czernik, S.; Montane, D.; Mann, M. [National Renewable Energy Lab., Golden, CO (United States); Chornet, E. [National Renewable Energy Lab., Golden, CO (United States)]|[Univ. de Sherbrooke, Quebec (Canada)

1997-05-01T23:59:59.000Z

51

Effect of reaction pressure on octane number and reformate and hydrogen yields in catalytic reforming  

Science Conference Proceedings (OSTI)

The effect of reaction pressure in catalytic reforming was studied in a pilot reactor with a commercial Pt-Re/Al{sub 2}O{sub 3} reforming catalyst and a hydrotreated naphtha from a North Sea crude. Reformate and hydrogen yields, research octane numbers (RON), and reformate composition at reactor pressures in the range of 12--25 bar were measured as a function of temperature in the range of 95--105 RON. Reformate and hydrogen yields increased as the pressure range. For the lower reaction pressures the hydrogen yields increased with increasing severity, but for the higher pressures the hydrogen yields started to decline above certain severities. RON was linearly dependent on the concentration of aromatics in the reformate, although the selectivity toward aromatics depends on both pressure and temperature. Less hydro dealkylation of C{sub 8} and heavier aromatics to benzene and toluene resulted in a shift toward xylenes and heavier aromatic components when pressure was lowered. Variations in the degree of paraffin isomerization did not influence RON significantly at those severities.

Moljord, K.; Hellenes, H.G.; Hoff, A.; Tanem, I. [SINTEF Applied Chemistry, Trondheim (Norway); Grande, K. [Statoil Research Centre, Trondheim (Norway); Holmen, A. [Univ. of Trondheim (Norway). Dept. Industrial Chemistry

1996-01-01T23:59:59.000Z

52

Molecular Dynamics Simulation of Collisions between Hydrogen and Graphite  

E-Print Network (OSTI)

Abstract. 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. 1.

unknown authors

2005-01-01T23:59:59.000Z

53

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

54

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

Science Conference Proceedings (OSTI)

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

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

2008-01-01T23:59:59.000Z

55

Evidence of catalytic production of hot hydrogen in rf generated hydrogen/argon plasmas  

E-Print Network (OSTI)

In this paper the selective broadening of the atomic hydrogen lines in pure H2 and Ar/H2 mixtures in a large 'GEC' cell (36 cm length_ 14 cm ID) was mapped as a function of position, H2/Ar ratio, time, power, and pressure. Several observations regarding the selective line broadening were particularly notable as they are unanticipated on the basis of earlier models. First, the anomalous broadening of the Balmer lines was found to exist throughout the plasma, and not just in the region between the electrodes. Second, the broadening was consistently a complex function of the operating parameters particularly gas composition (highest in pure H2), position, power, time and pressure. Clearly not anticipated by earlier models were the findings that under some conditions the highest concentration of 'hot' (>10 eV) hydrogen was found at the entry end, and not in the high field region between the electrodes and that in other conditions, the hottest H was at the (exit) pump (also grounded electrode) end. Third, excitati...

Phillips, J; Akhtar, K; Dhandapani, B; Mills, R; Phillips, Jonathan; Chen, Chun-Ku; Akhtar, Kamran; Dhandapani, Bala; Mills, Randell

2005-01-01T23:59:59.000Z

56

Recovery of C/sub 3/. sqrt. hydrocarbon conversion products and net excess hydrogen in a catalytic reforming process  

Science Conference Proceedings (OSTI)

This invention relates to a hydrocarbon conversion process effected in the presence of hydrogen, especially a hydrogenproducing hydrocarbon conversion process. More particularly, this invention relates to the catalytic reforming of a naphtha feedstock, and is especially directed to an improved recovery of the net excess hydrogen, and to an improved recovery of a C/sub 3/..sqrt.. normally gaseous hydrocarbon conversion product and a C/sub 5/..sqrt.. hydrocarbon conversion product boiling in the gasoline range.

Degraff, R.R.; Peters, K.D.

1982-12-21T23:59:59.000Z

57

Selective Catalytic Oxidation of Hydrogen Sulfide--Systems Analysis for IGCC Applications  

SciTech Connect

Selective catalytic oxidation of hydrogen sulfide (SCOHS) has been evaluated conceptually for IGCC applications, and the theoretical limits of reaction performance, process performance, and economic potential in IGCC have been estimated. Syngas conditions that have high partial pressures of total sulfur result in substantial liquid sulfur retention within the catalyst bed, with relatively complex processing being required. Applications that have much lower total sulfur partial pressure in the process gas might permit SCOHS operation under conditions where little liquid sulfur is retained in the catalyst, reducing the processing complexity and possibly improving the desulfurization performance. The results from our recent IGCC process evaluations using the SCOHS technology and conventional syngas cleaning are presented, and alternative SCOHS process configurations and applications that provide greater performance and cost potential are identified.

Newby, R.A.; Keairns, D.L.; Alvin, M.A.

2006-09-01T23:59:59.000Z

58

Molecular dynamics simulation of hydrogen diffusion in titanium  

National Nuclear Security Administration (NNSA)

9: Computation Physics 9: Computation Physics Atomistic Simulation of Hydrogen Diffusion in Titanium. Alexandr S. Rokhmanenkov, Alexey Yu. Kuksin, and Vladimir V. Stegailov All-Russia Research Institute of Automatics, Moscow 125412, Russia rohmanenkov@gmail.com Summary Study of the behavior of hydrogen in metals and alloys. The study is based on classical molecular dynamics (MD) and density functional theory (DFT) calculations. Study of the behavior of hydrogen in metals and alloys is of great importance due to the practical uses of hydrogen-metal systems for absorption of nuclear radiation, in neutron sources, for storage of hydrogen, or as catalyzers. This work is devoted to atomistic simulation of hydrogen diffusion in titanium hydrides and the effect of stresses and lattice defects on diffusivity.

59

Catalytic conversion of methanol to low molecular weight hydrocarbons. [Dissertation  

DOE Green Energy (OSTI)

The recent demands on the available energy have stimulated the search for alternatives to oil. Methanol, because of its abundance and the availability of technology to produce it from coal, is projected as an alternative source for producing low molecular weight olefins. Utilizing chabazite ion exchanged with ammonium and rare earth chlorides, methanol is converted to ethylene, propylene and propane with carbon yields of 70 to 90% at reaction temperatures of 633 to 723/sup 0/K and pressures from 1 to 18 atmospheres. X-ray diffraction studies, using Cu-K radiation, show no permanent structural changes after a long use. No permanent deactivation was observed even though the catalyst was overheated once, and have been deactivated and regenerated as many as 21 times. The ammonium exchange coupled with the water at high temperature suggest the formation of an ultrastable zeolite. Ethylene yields increase as the temperature increases from 633/sup 0/K to 723/sup 0/K.

Singh, B.B.

1979-12-01T23:59:59.000Z

60

Modeling Molecular Hydrogen and Star Formation in Cosmological Simulations  

DOE Green Energy (OSTI)

We describe a phenomenological model for molecular hydrogen formation suited for applications in galaxy formation simulations, which includes on-equilibrium formation of molecular hydrogen on dust and approximate treatment of both its self-shielding and shielding by dust from the dissociating UV radiation. The model is applicable in simulations in which individual star forming regions--the giant molecular complexes--can be identified (resolution of tens of pc) and their mean internal density estimated reliably, even if internal structure is not resolved. In agreement with previous studies, calculations based on our model show that the transition from atomic to fully molecular phase depends primarily on the metallicity, which we assume is directly related to the dust abundance, and clumpiness of the interstellar medium. The clumpiness simply boosts the formation rate of molecular hydrogen, while dust serves both as a catalyst of molecular hydrogen formation and as an additional shielding from dissociating UV radiation. The upshot is that it is difficult to form fully-shielded giant molecular clouds while gas metallicity is low. However, once the gas is enriched to Z {approx} 0.01-0.1 solar, the subsequent star formation and enrichment can proceed at a much faster rate. This may keep star formation efficiency in the low-mass, low-metallicity progenitors of galaxies very low for a certain period of time with the effect similar to a strong 'feedback' mechanism.

Gnedin, Nickolay Y.; /Fermilab /KICP, Chicago /Chicago U., Astron. Astrophys. Ctr.; Tassis, Konstantinos; /Chicago U., Astron. Astrophys. Ctr. /KICP, Chicago; Kravtsov, Andrey V.; /KICP, Chicago /Chicago U., Astron. Astrophys. Ctr. /Chicago U., EFI

2008-10-01T23:59:59.000Z

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.


61

Process for catalytic reforming  

Science Conference Proceedings (OSTI)

An improved catalytic reforming process is disclosed wherein hydrogen and light hydrocarbons generated in the catalytic reaction zone are passed to a hydrogen production/purification zone and and reacted and processed therein to produce substantially pure hydrogen. A portion of the hydrogen is then admixed with the charge stock to the catalytic reforming zone to provide the hydrogen requirements of the catalytic reforming reaction zone.

James, R. B. Jr.

1984-11-20T23:59:59.000Z

62

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

63

Commercial Activated Carbon for the Catalytic Production of Hydrogen via the Sulfur-Iodine Thermochemical Water Splitting Cycle  

DOE Green Energy (OSTI)

Eight activated carbon catalysts were examined for their catalytic activity to decompose hydroiodic acid (HI) to produce hydrogen; a key reaction in the sulfur-iodine (S-I) thermochemical water splitting cycle. Activity was examined under a temperature ramp from 473 to 773 K. No statistically significant correlation was found between catalyst sample properties and catalytic activity. Four of the eight samples were examined for one week of continuous operation at 723 K. All samples appeared to be stable over the period of examination.

Daniel M. Ginosar; Lucia M. Petkovic; Kyle C. Burch

2011-07-01T23:59:59.000Z

64

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

65

Molecular Hydrogen Formation on Ice Under Interstellar Conditions  

E-Print Network (OSTI)

The results of experiments on the formation of molecular hydrogen on low density and high density amorphous ice surfaces are analyzed using a rate equation model. The activation energy barriers for the relevant diffusion and desorption processes are obtained. The more porous morphology of the low density ice gives rise to a broader spectrum of energy barriers compared to the high density ice. Inserting these parameters into the rate equation model under steady state conditions we evaluate the production rate of molecular hydrogen on ice-coated interstellar dust grains.

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

2004-12-09T23:59:59.000Z

66

Catalytic ionic hydrogenation of ketones using tungsten or molybdenum organometallic species  

DOE Green Energy (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

67

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

2008-02-06T23:59:59.000Z

68

DISCOVERY OF MOLECULAR HYDROGEN IN WHITE DWARF ATMOSPHERES  

SciTech Connect

With the Cosmic Origins Spectrograph on board the Hubble Space Telescope, we have detected molecular hydrogen in the atmospheres of three white dwarfs with effective temperatures below 14,000 K, G29-38, GD 133, and GD 31. This discovery provides new independent constraints on the stellar temperature and surface gravity of white dwarfs.

Xu, S.; Jura, M.; Klein, B.; Zuckerman, B. [Department of Physics and Astronomy, University of California, Los Angeles, CA 90095-1562 (United States); Koester, D., E-mail: sxu@astro.ucla.edu, E-mail: jura@astro.ucla.edu, E-mail: kleinb@astro.ucla.edu, E-mail: ben@astro.ucla.edu, E-mail: koester@astrophysik.uni-kiel.de [Institut fur Theoretische Physik und Astrophysik, University of Kiel, D-24098 Kiel (Germany)

2013-04-01T23:59:59.000Z

69

Molecular Hydrogen Formation on Amorphous Silicates Under Interstellar Conditions  

E-Print Network (OSTI)

Experimental results on the formation of molecular hydrogen on amorphous silicate surfaces are presented for the first time 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 earlier 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 within a temperature range which is relevant to diffuse interstellar clouds. The results also indicate that the hydrogen molecules are thermalized with the surface and desorb with low kinetic energy. Thus, they are unlikely to occupy highly excited states.

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

2007-03-11T23:59:59.000Z

70

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

SciTech Connect

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

71

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

Science Conference Proceedings (OSTI)

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

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

1998-11-01T23:59:59.000Z

72

Kinetic modelling of molecular hydrogen transport in microporous carbon materials.  

DOE Green Energy (OSTI)

The proposal of kinetic molecular sieving of hydrogen isotopes is explored by employing statistical rate theory methods to describe the kinetics of molecular hydrogen transport in model microporous carbon structures. A Lennard-Jones atom-atom interaction potential is utilized for the description of the interactions between H{sub 2}/D{sub 2} and the carbon framework, while the requisite partition functions describing the thermal flux of molecules through the transition state are calculated quantum mechanically in view of the low temperatures involved in the proposed kinetic molecular sieving application. Predicted kinetic isotope effects for initial passage from the gas phase into the first pore mouth are consistent with expectations from previous modeling studies, namely, that at sufficiently low temperatures and for sufficiently narrow pore mouths D{sub 2} transport is dramatically favored over H{sub 2}. However, in contrast to expectations from previous modeling, the absence of any potential barrier along the minimum energy pathway from the gas phase into the first pore mouth yields a negative temperature dependence in the predicted absolute rate coefficients - implying a negative activation energy. In pursuit of the effective activation barrier, we find that the minimum potential in the cavity is significantly higher than in the pore mouth for nanotube-shaped models, throwing into question the common assumption that passage through the pore mouths should be the rate-determining step. Our results suggest a new mechanism that, depending on the size and shape of the cavity, the thermal activation barrier may lie in the cavity rather than at the pore mouth. As a consequence, design strategies for achieving quantum-mediated kinetic molecular sieving of H{sub 2}/D{sub 2} in a microporous membrane will need, at the very least, to take careful account of cavity shape and size in addition to pore-mouth size in order to ensure that the selective step, namely passage through the pore mouth, is also the rate determining step.

Hankel, M.; Zhang, H.; Nguyen, T. X.; Bhatia, S. K.; Gray, S. K.; Smith, S. C. (Center for Nanoscale Materials); (The Univ. of Queensland)

2011-01-01T23:59:59.000Z

73

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

SciTech Connect

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

74

High-yield hydrogen production by catalytic gasification of coal or biomass  

DOE Green Energy (OSTI)

Gasification of coal or wood, catalyzed by soluble metallic cations to maximize reaction rates and hydrogen yields, offers a potential for large-scale, economical hydrogen production with near-commercial technology. With optimum reaction conditions and catalysts, product gas rich in both hydrogen and methane can be used in fuel cells to produce electricity at efficiencies nearly double those of conventional power plant. If plantation silvaculture techniques can produce wood at a raw energy cost competitive with coal, further enhancement of product gas yields may be possible, with zero net contribution of CO{sub 2} to the atmosphere.

Hauserman, W.B.

1992-01-01T23:59:59.000Z

75

Molecular Dynamics Simulations of Temperature Equilibration in Dense Hydrogen  

DOE Green Energy (OSTI)

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

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

2008-02-14T23:59:59.000Z

76

Effects of Varying the Three-Body Molecular Hydrogen  

DOE Green Energy (OSTI)

The transformation of atomic hydrogen to molecular hydrogen through three-body reactions is a crucial stage in the collapse of primordial, metal-free halos, where the first generation of stars (Population III stars) in the Universe are formed. However, in the published literature, the rate coefficient for this reaction is uncertain by nearly an order of magnitude. We report on the results of both adaptive mesh refinement (AMR) and smoothed particle hydrodynamics (SPH) simulations of the collapse of metal-free halos as a function of the value of this rate coefficient. For each simulation method, we have simulated a single halo three times, using three different values of the rate coefficient. We find that while variation between halo realizations may be greater than that caused by the three-body rate coefficient being used, both the accretion physics onto Population III protostars as well as the long-term stability of the disk and any potential fragmentation may depend strongly on this rate coefficient.

Turk, Matthew J.; /San Diego, CASS; Clark, Paul; Glover, S.C.O.; /ZAH, Heidelberg; Greif, T.H.; /Garching, Max Planck Inst. Plasmaphys.; Abel, Tom; Klessen, Ralf; /KIPAC, Menlo Park /ZAH, Heidelberg /KIPAC, Menlo Park; Bromm, Volker; /Texas U., Astron. Dept.

2011-03-03T23:59:59.000Z

77

Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4  

NLE Websites -- All DOE Office Websites (Extended Search)

Effect of Ti for Effect of Ti for Hydrogen Cycling in NaAlH 4 Mei-Yin Chou School of Physics Georgia Institute of Technology (DE-FG02-05ER46229) Acknowledgment: Yan Wang, Roland Stumpf Why is NaAlH 4 interesting? A viable candidate for hydrogen-storage material: High theoretical weight-percent hydrogen content of 5.55% and low cost But (before 1997) Dehydrogenation occurs at high temperature; rehydrogenation is difficult. Bogdanovic and Schwickardi, 1997 Hydrogen can be reversibly absorbed and desorbed from NaAlH 4 under moderate conditions by the addition of catalysts (compounds containing Ti, Zr, etc.) High Hydrogen Contents in Complex Hydrides Hydride wt% Hydride wt% Be(BH 4 ) 2 20.8 Mg(AlH 4 ) 2 9.3 LiBH 4 18.2 Ca(AlH 4 ) 2 7.9 Mg(BH 4 ) 2 14.9 KBH 4 7.5 Ca(BH 4 ) 2 11.6 NaAlH 4 7.5 NaBH4 10.7 Ga(AlH

78

Molecular dynamics simulation of hydrogen diffusion in titanium  

National Nuclear Security Administration (NNSA)

of hydrogen-metal systems for absorption of nuclear radiation, in neutron sources, for storage of hydrogen, or as catalyzers. This work is devoted to atomistic simulation of...

79

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 broadening was found to be present throughout the volume (13.5 cm diameter x 38 cm length) of RF generated H2O plasmas in a GEC cell. Notably, at low pressures (hot' witha 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 within the GEC cell. In contrast to the atomic hydrogen lines, no broadening was observed in oxygen species lines at low pressure. Also, in 'control' Xe/H2 plasmas run in the saem cell at similar pressures and absorbed power, no significant broadening of atomic hydrogen, Xe or any other lines was observed. Stark broadeing or acceleration of charged species due to high electric fields can not explain the results since (i) the electron density was insufficient by orders or magnitude, (ii) the RF field was essentially confined to the cathode fall region in contrast to the broadening which was fou...

Phillips, J; Mills, R; Phillips, Jonathan; Chen, Chun Ku; Mills, Randell

2004-01-01T23:59:59.000Z

80

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

DOE Green Energy (OSTI)

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

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

2008-05-09T23:59:59.000Z

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

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

SciTech Connect

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

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

2009-03-02T23:59:59.000Z

82

Rotational and vibrational dynamics of interstitial molecular hydrogen T. Yildirim  

E-Print Network (OSTI)

of the hindered roton-phonon energy levels of a hydrogen molecule in a confining potential with different such as gas separation and hydrogen storage.1­3 In particular, hydrogen molecules trapped in interstitial like hydrogen or deuterium. The energy levels of a free ro- tator are EJ BJ J 1 , 1 where B 2 /(2I), I

Yildirim, Taner

83

Photoluminescence study of GaAs films on Si(100) grown by atomic hydrogen-assisted molecular beam epitaxy  

Science Conference Proceedings (OSTI)

Keywords: atomic hydrogen-mediated epitaxy, lattice-mismatched heteroepitaxy, minority carrier lifetime, molecular beam epitaxy, photoluminescence decay, solar cells

Yoshitaka Okada; Shigeru Ohta; Akio Kawabata; Hirofumi Shimomura; Mitsuo Kawabe

1994-03-01T23:59:59.000Z

84

Catalytic cracking process  

Science Conference Proceedings (OSTI)

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

Lokhandwala, Kaaeid A. (Union City, CA); Baker, Richard W. (Palo Alto, CA)

2001-01-01T23:59:59.000Z

85

Molecular hydrogen regulated star formation in cosmological SPH simulations  

E-Print Network (OSTI)

It has been shown observationally that star formation (SF) correlates tightly with the presence of molecular hydrogen (H2). Therefore it would be important to investigate its implication on galaxy formation in a cosmological context. In the present work, we track the H2 mass fraction within our cosmological smoothed particle hydrodynamics (SPH) code GADGET-3 using an equilibrium analytic model by Krumholz et al. This model allows us to regulate the star formation in our simulation by the local abundance of H2 rather than the total cold gas density, and naturally introduce the dependence of star formation on metallicity. We investigate implications of the equilibrium H2-based SF model on galaxy population properties, such as the stellar-to-halo mass ratio (SHMR), baryon fraction, cosmic star formation rate density (SFRD), galaxy specific SFR, galaxy stellar mass functions (GSMF), and Kennicutt-Schmidt (KS) relationship. The advantage of our work over the previous ones is having a large sample of simulated gala...

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

2013-01-01T23:59:59.000Z

86

Catalytic Steam Reforming of Gasifier Tars: On-Line Monitoring of Tars with a Transportable Molecular-Beam Mass Spectrometer; Milestone Completion Report  

DOE Green Energy (OSTI)

A method for evaluating catalytic tar decomposition in real time is presented. The effectiveness of two catalysts are compared. A key technical and economic barrier to commercialization of biomass gasification technologies is the removal of tars that are unavoidably formed in this thermochemical process. Tars contain fuel value; however, they are problematic in gas engines (both reciprocating and turbine) because they condense in the fuel delivery system, forming deposits that negatively affect operation and efficiency. These tars also combust with high luminosity, potentially forming soot particles. The conventional technology for tar removal is wet scrubbing. Although this approach has shown some success, there are significant equipment and operating costs associated with it. In order to prevent the generation of toxic wastewater, the tars must be separated and either disposed as hazardous waste or, preferably, combusted in the gasification plant. A conceptually better approach is catalytic steam reforming of the tars to hydrogen and carbon monoxide (CO), effectively increasing the gasification efficiency and eliminating the problems mentioned above. In FY2000, Battelle Columbus Laboratories attempted to demonstrate integrated gasification-gas turbine operation using catalytic steam reforming of tars. NREL participated in those tests using the transportable molecular-beam mass spectrometer (TMBMS) to monitor the catalytic reactor's performance on-line [10]. Unfortunately, the pilot plant tests encountered operational problems that prevented conclusive determination of the efficacy of the selected catalyst (Battelle's DN34). In FY2001, NREL performed on-site tar steam reforming tests using a slip-stream of hot pyrolysis gas from the Thermochemical Process Development Unit (TCPDU), which was directed to a bench-scale fluidized bed reactor system designed expressly for this purpose. Supporting this effort, the TMBMS was employed to provide on-line analysis of the tar conversion. The gas composition changes were monitored by two identical gas chromatographs (GCs), and modified method 5 sampling was performed to obtain gravimetric conversion data. The combination of these analytical techniques provided definitive catalyst performance data, as well as linkage to previous and on-going work elsewhere. Two catalysts were tested: nickel (Ni) on potassium promoted alumina (Sued-Chemie C11-NK), used commercially for naphtha steam reforming, and alumina (Battelle's DN34) claimed to be effective for gasifier tar decomposition. In addition, sand was tested as an inert reference material.

Carpenter, D.; Ratcliff, M.; Dayton, D.

2002-05-01T23:59:59.000Z

87

Catalytic dehydrogenation of propane and isobutane in hydrogen permselective membrane reactors  

DOE Green Energy (OSTI)

The dehydrogenation of propane and isobutane was studied in hydrogen permselective packed bed membrane reactors and conventional packed bed reactors. Two different types of developmental membranes were investigated: sol-gel derived silica-based membranes and a pure palladium thin film supported by a porous ceramic substrate. The palladium membranes deactivated and eventually failed when exposed to both isobutane and propane dehydrogenation temperatures above 773 K. Moderate improvements in propylene and isobutylene yields were obtained with the silica-based membrane reactors. An isobutylene yield of 48 mole percent was obtained at a liquid hourly space velocity (LHSV) of 1.8 and temperature of 798 K compared to a yield of 39 percent in a conventional reactor operated with the same flow rate. Similar improvements in propylene yield were obtained when the silica-based membranes were tested in propane dehydrogenation experiments. There was no significant difference in the reaction selectivities for the desired olefin products when the membrane and conventional reactors were operated with the scone LHSV However, for a constant value of the olefin yield, the membrane reactors had a higher reaction selectivity since the desired yield was achieved at a higher LHSV where there was less time for side products to form. Catalyst deactivation rates were generally greater in the membrane reactors, especially when the reactors were operated with high hydrogen removal rates at temperatures of 773 K and above.

Collins, J.P.; Schwartz, R.W. [Sandia National Labs., Albuquerque, NM (United States); Sehgal, R.; Ward, T.L. [Univ. of New Mexico, Albuquerque, NM (United States)] [and others

1996-09-01T23:59:59.000Z

88

Molecular studies of the structural properties of hydrogen gas in bulk water.  

DOE Green Energy (OSTI)

We report on our studies of the structural properties of a hydrogen molecule dissolved in liquid water. The radial distribution function, coordination number and coordination number distribution are calculated using different representations of the interatomic forces within molecular dynamics (MD), Monte Carlo (MC) and ab initio molecular dynamics (AIMD) simulation frameworks. Although structural details differ in the radial distribution functions generated from the different force fields, all approaches agree that the average and most probable number of water molecules occupying the inner hydration sphere around hydrogen is 16. Furthermore, all results exclude the possibility of clathrate-like organization of water molecules around the hydrophobic molecular hydrogen solute.

Rempe, Susan L.; Sabo, Dubravko; Greathouse, Jeffery A.; Martin, Marcus Gary

2006-02-01T23:59:59.000Z

89

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

SciTech Connect

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

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

2001-11-06T23:59:59.000Z

90

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

SciTech Connect

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

Paul Liu

2012-05-01T23:59:59.000Z

91

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

92

Catalytic reforming  

Science Conference Proceedings (OSTI)

This patent describes a process for the catalytic reforming of a feedstock which contains at least one reformable organic compound. The process consists of contacting the feedstock under suitable reforming conditions with a catalyst composition selected from the group consisting of a catalyst. The catalyst essentially consists of zinc oxide and a spinel structure alumina. Another catalyst consists essentially of a physical mixture of zinc titanate and a spinel structure alumina in the presence of sufficient added hydrogen to substantially prevent the formation of coke. Insufficient zinc is present in the catalyst composition for the formation of a bulk zinc aluminate.

Aldag, A.W. Jr.

1986-01-28T23:59:59.000Z

93

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

The GreatPoint Energy (GPE) concept for producing synthetic natural gas and hydrogen from coal involves the catalytic gasification of coal and carbon. GPEs 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, GPEs 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 1400F, 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 PdCu 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

94

Odd-odd Magnetic Interaction and Spontaneous Ortho-para Transitions in Molecule and Molecular Hydrogen Ion  

E-Print Network (OSTI)

Spontaneous nuclear ortho-para transitions are shown to be possible in hydrogen molecule and molecular ion as due to hyperfine interaction odd-odd relative to the space or spin nuclear coordinate permutations. A part of this interaction inversely proportional to the first power of nuclear mass is found for hydrogen molecular ion.

V. S. Yarunin

2001-08-16T23:59:59.000Z

95

Study of a hydrogen-bombardment process for molecular cross-linking within thin films  

SciTech Connect

A low-energy hydrogen bombardment method, without using any chemical additives, has been designed for fine tuning both physical and chemical properties of molecular thin films through selectively cleaving C-H bonds and keeping other bonds intact. In the hydrogen bombardment process, carbon radicals are generated during collisions between C-H bonds and hydrogen molecules carrying {approx}10 eV kinetic energy. These carbon radicals induce cross-linking of neighboring molecular chains. In this work, we focus on the effect of hydrogen bombardment on dotriacontane (C{sub 32}H{sub 66}) thin films as growing on native SiO{sub 2} surfaces. After the hydrogen bombardment, XPS results indirectly explain that cross-linking has occurred among C{sub 32}H{sub 66} molecules, where the major chemical elements have been preserved even though the bombarded thin film is washed by organic solution such as hexane. AFM results show the height of the perpendicular phase in the thin film decreases due to the bombardment. Intriguingly, Young's modulus of the bombarded thin films can be increased up to {approx}6.5 GPa, about five times of elasticity of the virgin films. The surface roughness of the thin films can be kept as smooth as the virgin film surface after thorough bombardment. Therefore, the hydrogen bombardment method shows a great potential in the modification of morphological, mechanical, and tribological properties of organic thin films for a broad range of applications, especially in an aggressive environment.

Liu, Y.; Yang, J. [Department of Mechanical and Materials Engineering, University of Western Ontario, London, Ontario (Canada); Yang, D. Q.; Nie, H.-Y.; Lau, W. M. [Surface Science Western, University of Western Ontario, London, Ontario (Canada)

2011-02-21T23:59:59.000Z

96

Unveiling Residual Molecular Binding in Triply Charged Hydrogen Bromide  

Science Conference Proceedings (OSTI)

We present an experimental and theoretical study of triply charged hydrogen bromide ions formed by photoionization of the inner 3d shell of Br. The experimental results, obtained by detecting the 3d photoelectron in coincidence with the two subsequent Auger electrons, are analyzed using calculated potential energy curves of HBr{sup 3+}. The competition between the short-range chemical binding potential and the Coulomb repulsion in the dissociative process is shown. Two different mechanisms are observed for double Auger decay: one, a direct process with simultaneous ejection of two Auger electrons to final HBr{sup 3+} ionic states and the other, a cascade process involving double Auger decay characterized by the autoionization of Br*{sup +} ion subsequent to the HBr{sup 2+} fragmentation.

Penent, F.; Lablanquie, P.; Palaudoux, J.; Gamblin, G.; Carniato, S. [UPMC, Universite Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)] [CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Andric, L. [UPMC, Universite Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)] [CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)] [Universite Paris-Est, 5 boulevard Descartes, 77454 Marne-la-Vallee Cedex 2 (France); Hikosaka, Y. [Department of Environmental Science, Niigata University, Niigata 950-2181 (Japan); Ito, K. [Photon Factory, Institute of Materials Structure Science, Oho, Tsukuba 305-0801 (Japan)

2011-03-11T23:59:59.000Z

97

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

DOE Green Energy (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

98

Catalytic hydrotreating process  

DOE Patents (OSTI)

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

Karr, Jr., Clarence (Morgantown, WV); McCaskill, Kenneth B. (Morgantown, WV)

1978-01-01T23:59:59.000Z

99

Warm molecular hydrogen in the Spitzer SINGS galaxy sample  

E-Print Network (OSTI)

(simplified) Results on the properties of warm H2 in 57 normal galaxies are derived from H2 rotational transitions, obtained as part of SINGS. This study extends previous extragalactic surveys of H2, the most abundant constituent of the molecular ISM, to more common systems (L_FIR = e7 to 6e10 L_sun) of all morphological and nuclear types. The S(1) transition is securely detected in the nuclear regions of 86% of SINGS galaxies with stellar masses above 10^9.5 M_sun. The derived column densities of warm H2 (T > ~100 K), even though averaged over kiloparsec-scale areas, are commensurate with those of resolved PDRs; the median of the sample is 3e20 cm-2. They amount to between 1% and >30% of the total H2. The power emitted in the sum of the S(0) to S(2) transitions is on average 30% of the [SiII] line power, and ~4e-4 of the total infrared power (TIR) within the same area for star-forming galaxies, which is consistent with excitation in PDRs. The fact that H2 emission scales tightly with PAH emission, even thoug...

Roussel, H; Hollenbach, D J; Draine, B T; Smith, J D; Armus, L; Schinnerer, E; Walter, F; Engelbracht, C W; Thornley, M D; Kennicutt, R C; Calzetti, D; Dale, D A; Murphy, E J; Bot, C

2007-01-01T23:59:59.000Z

100

Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen - The Role of Pendant Amines as Proton Relays  

DOE Green Energy (OSTI)

Electrocatalysts for efficient conversion between electricity and chemical bonds will play a vital role in future systems for storage and delivery of energy. Our research on functional models of hydrogenase enzymes uses nickel and cobalt, abundant and inexpensive metals, in contrast to platinum, a precious metal used in fuel cells. A key feature of our research is a focus on the use of pendant amines incorporated into diphosphine ligands. These pendant amines function as proton relays, lowering the barrier to proton transfers to and from the catalytically active metal site. The hydride acceptor ability of metal cations, along with the basicity of pendant amines, are key thermochemical values that determine the thermodynamics of addition of H2 to a metal complex with a pendant amine incorporated into its ligand. Nickel catalysts for oxidation of H2 have turnover frequencies up to 50 s-1 (at 1 atm H2 and room temperature). Nickel and cobalt catalysts for production of H2 by reduction of protons are studied, one of which has a turnover frequency over 1000 s-1. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences.

DuBois, Daniel L.; Bullock, R. Morris

2011-03-15T23:59:59.000Z

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101

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 covalent bond. The structure of molecular complexes such as those formed between a rare gas and a hydrogen halide, Rg:HX where Rg is a rare gas (Rg=Ne, Ar and Kr) and HX (X=F, Cl, Br and I) can be determined directly and accurately. The center of mass interaction distance, RCM, as well as the angle of the hydrogen halide is determined, along with direct evaluation of the intermolecular vibrations as well as accurate isomerization energies between the hydrogen bound and van der Waals forms. The accuracy of the frequency determination of rovibrational transitions using the submillimeter spectrometer is also evaluated by direct comparison with the state-of-theart pulsed nozzle Fourier transform microwave spectrometer, and this accuracy is estimated to be less than 1 kHz at 300 GHz. The tunneling or geared bending vibration of a dimer of hydrogen bromide or hydrogen iodide has been investigated. The selection rules, nuclear statistics and intensity alternation for transitions observed in these dimmers, which is a consequence of interchanging two identical nuclei in the low frequency geared bending vibration of the molecular complex, are reported. Furthermore, the rotation and quadrupole coupling constants are used to determine a vibrationally averaged structure of the complex. The energy of the low frequency bending vibration can then be compared with ab initio based potential energy surfaces. A study of the multiple isomeric forms of the molecular complex OC:HI is also presented. Multiple isotopic substitutions are used to determine the relevant ground state structures and data reported evidence for an anomalous isotope effect supporting a ground state isotopic isomerization effect. All spectroscopic data that has been reported here has been additionally used to subsequently model and generate vibrationally complete morphed potential energy surfaces that are capable or reproducing the experimentally observed data. The utility of this procedure is evaluated on a predicative basis and comparisons made with newly observed data.

McElmurry, Blake Anthony

2008-12-01T23:59:59.000Z

102

Hydrogen  

U.S. Energy Information Administration (EIA)

-No Data Reported; --= Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Notes: Hydrogen production ...

103

Catalytic conversion of light alkanes  

DOE Green Energy (OSTI)

The second Quarterly Report of 1992 on the Catalytic Conversion of Light Alkanes reviews the work done between April 1, 1992 and June 31, 1992 on the Cooperative Agreement. The mission of this work is to devise a new catalyst which can be used in a simple economic process to convert the light alkanes in natural gas to oxygenate products that can either be used as clean-burning, high octane liquid fuels, as fuel components or as precursors to liquid hydrocarbon uwspomdon fuel. During the past quarter we have continued to design, prepare, characterize and test novel catalysts for the mild selective reaction of light hydrocarbons with air or oxygen to produce alcohols directly. These catalysts are designed to form active metal oxo (MO) species and to be uniquely active for the homolytic cleavage of the carbon-hydrogen bonds in light alkanes producing intermediates which can form alcohols. We continue to investigate three molecular environments for the active catalytic species that we are trying to generate: electron-deficient macrocycles (PHASE I), polyoxometallates (PHASE II), and regular oxidic lattices including zeolites and related structures as well as other molecular surface structures having metal oxo groups (PHASE I).

Lyons, J.E.

1992-06-30T23:59:59.000Z

104

Catalytic coal liquefaction process  

SciTech Connect

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

105

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

106

High severity catalytic reforming process  

Science Conference Proceedings (OSTI)

A high-severity catalytic reforming process is described comprising: (a) passing a mixture comprising a catalytic reforming feed stream and a recycle stream into a catalytic reforming reaction zone which is maintained at high-severity reforming conditions; (b) cooling an effluent stream comprising hydrogen and hydrocarbonaceous catalytic reforming reaction products which is withdrawn from the reaction zone; (c) passing the cooled effluent stream into a vapor-liquid separation zone and recovering therefrom a liquid stream comprising hydrocarbons and a hydrogen-rich gas stream; (d) passing the hydrogen-rich gas stream through an adsorption zone wherein the gas is contacted with a treating material which removes polycyclic aromatic compounds from the gas stream, the compounds remaining in the adsorption zone; (e) mixing a portion of the hydrogen-rich gas stream, which is the recycle stream, with the feed stream to form the charge stock mixture and withdrawing the balance of the hydrogen-rich gas stream, which is denoted as net hydrogen, from the catalytic reforming area, all of the hydrogen-rich gas stream being substantially free of polycyclic aromatic compounds; and (f) fractionating the liquid stream and recovering an overhead product comprising light hydrocarbons and a bottoms product comprising reformate.

Bennett, R.W.; Cottrell, P.R.; Gilsdorf, N.L.; Winfield, M.D.

1988-03-22T23:59:59.000Z

107

From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia  

E-Print Network (OSTI)

The ammonia dimer (NH3)2 has been investigated using high--level ab initio quantum chemistry methods and density functional theory (DFT). The structure and energetics of important isomers is obtained to unprecedented accuracy without resorting to experiment. The global minimum of eclipsed C_s symmetry is characterized by a significantly bent hydrogen bond which deviates from linearity by about 20 degrees. In addition, the so-called cyclic C_{2h} structure is extremely close in energy on an overall flat potential energy surface. It is demonstrated that none of the currently available (GGA, meta--GGA, and hybrid) density functionals satisfactorily describe the structure and relative energies of this nonlinear hydrogen bond. We present a novel density functional, HCTH/407+, designed to describe this sort of hydrogen bond quantitatively on the level of the dimer, contrary to e.g. the widely used BLYP functional. This improved functional is employed in Car-Parrinello ab initio molecular dynamics simulations of liq...

Boese, A D; Martin, J M L; Marx, D; Chandra, Amalendu; Martin, Jan M.L.; Marx, Dominik

2003-01-01T23:59:59.000Z

108

Storage of molecular hydrogen in an ammonia borane compound at high pressure  

DOE Green Energy (OSTI)

We studied ammonia borane (AB), NH{sub 3}BH{sub 3}, in the presence of excess hydrogen (H{sub 2}) pressure and discovered a solid phase, AB(H{sub 2})x, where x {approx} 1.3-2. The new AB-H{sub 2} compound can store an estimated 8-12 wt % molecular H{sub 2} in addition to the chemically bonded H{sub 2} in AB. This phase formed slowly at 6.2 GPa, but the reaction rate could be enhanced by crushing the AB sample to increase its contact area with H{sub 2}. The compound has 2 Raman H{sub 2} vibron peaks from the absorbed H{sub 2} in this phase: one ({nu}{sub 1}) at frequency 70 cm{sup -1} below the free H{sub 2} vibron, and the other ({nu}{sub 2}) at higher frequency overlapping with the free H{sub 2} vibron at 6 GPa. The peaks shift linearly over the pressure interval of 6-16 GPa with average pressure coefficients of d{nu}{sub 1}/dP = 4 cm{sup -1}/GPa and d{nu}{sub 2}/dP = 6 cm{sup -1}/GPa. The formation of the compound is accompanied by changes in the N-H and B-H stretching Raman peaks resulting from the AB interactions with H{sub 2} which indicate the structural complexity and low symmetry of this phase. Storage of significant amounts of additional molecular H{sub 2} in AB increases the already high hydrogen content of AB, and may provide guidance for developing improved hydrogen storage materials.

Lin, Y.

2010-02-24T23:59:59.000Z

109

Catalytic Reforming  

Science Conference Proceedings (OSTI)

Don Little's Catalytic Reforming deals exclusively with reforming. With the increasing need for unleaded gasoline, the importance of this volume has escalated since it combines various related aspects of reforming technology into a single publication. For those with no practical knowledge of catalytic reforming, the chemical reactions, flow schemes and how the cat reformer fits into the overall refinery process will be of interest. Contents include: Catalytic reforming in refinery processing: How catalytic reformers work - chemical reactions; Process design; The catalyst, process variables and unit operation; Commercial processes; BTX operation; Feed preparation; naphtha hydrotreating and catalytic reforming; Index.

Little, D.M.

1985-01-01T23:59:59.000Z

110

Novel Molecular Materials for Hydrogen Storage Applications - DOE Hydrogen and Fuel Cells Program FY 2012 Annual Progress Report  

NLE Websites -- All DOE Office Websites (Extended Search)

6 6 DOE Hydrogen and Fuel Cells Program FY 2012 Annual Progress Report Maddury Somayazulu (Primary Contact), Timothy Strobel, Robert Potter, Raja Chellappa, Viktor Struzhkin, Russell J Hemley Geophysical Laboratory Carnegie Institution of Washington 5251 Broad Branch Rd NW Washington, D.C. 20015 Phone: (202) 478-8911 Email: zulu@gl.ciw.edu DOE Program Manager: Dr. P. Thiyagarajan Phone: (301) 903-9706 Email: P.Thiyagarajan@science.doe.gov Objectives Discover, identify and characterize novel hydrogen-rich * compounds that can be used for hydrogen storage or as agents for rehydrogenation of hydrogen storage materials at high pressures. Investigate high pressure routes to rehydrogenating * ammonia borane and polymeric complexes of ammonia borane. Investigate interaction of hydrogen with metallo-organic *

111

Two-photon (VUV + visible) resonance ionization spectroscopy of molecular hydrogen  

DOE Green Energy (OSTI)

Two-photon transitions have been examined in molecular hydrogen using coherent vacuum ultraviolet (VUV) photons at a fixed wavelength of 118 nm and a tunable photon from a dye laser. Though the VUV intensity is very weak (/approximately/100 nJ per pulse) it was utilized very efficiently since most VUV photons in the ionoization region were absorbed. This is the first time that coherent VUV light has been employed with tunable visible light for the production of two-photon spectra and the measurement of two-photon rates. A new parameter is proposed for direct comparison of the data from various two-photon experiments. 4 refs., 2 figs., 1 tab.

McCann, M.P.; Chen, C.H.; Payne, M.G.

1988-04-01T23:59:59.000Z

112

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

DOE Patents (OSTI)

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

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

1988-01-01T23:59:59.000Z

113

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

Science Conference Proceedings (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 ?? LiAlH4 ??Mg(AlH4)2 phase diagram was investigated with the MT assay. Stability proved to be a problem as many of the materials decomposed during synthesis, altering the expected assay results. This resulted in repeating the entire experiment with a mild milling approach, which only temporarily increased capacity. NaAlH4 was the best performer in both studies and no new mixed alanates were observed, a result consistent with the VHTS. Powder XRD suggested that the reverse reaction, the regeneration of the alanate from alkali hydride, Al and hydrogen, was hampering reversibility. The reverse reaction was then studied for the same phase diagram, starting with LiH, NaH, and MgH2, and Al. The study was extended to phase diagrams including KH and CaH2 as well. The observed hydrogen storage capacity in the Al hexahydrides was less than 4 wt. %, well short of DOE targets. The HT assay came on line and after certification with studies on NaAlH4, was first applied to the LiNH2 - LiBH4 - MgH2 phase diagram. The 60-point study elucidated trends within the system locating an optimum material of 0.6 LiNH2 ?? 0.3 MgH2 ?? 0.1 LiBH4 that stored about 4 wt. % H2 reversibly and operated below 220 °C. Also present was the phase Li4(NH2)3BH4, which had been discovered in the LiNH2 -LiBH4 system. This new ternary formulation performed much better than the well-known 2 LiNH2 ?? MgH2 system by 50 °C in the HT assay. The Li4(NH2)3BH4 is a low melting ionic liquid under our test conditions and facilitates the phase transformations required in the hydrogen storage reaction, which no longer relies on a higher energy solid state reaction pathway. Further study showed that the 0.6 LiNH2 ?? 0.3 MgH2 ?? 0.1 LiBH4 formulation was very stable with respect to ammonia and diborane desorption, the observed desorption was from hydrogen. This result could not have been anticipated and was made possible by the efficiency of HT combinatorial methods. Investigation of the analogous LiNH2 ?? LiBH4 ?? CaH2 phase diagram revealed new reversible hydrogen storage materials 0.625 LiBH4 + 0.375 CaH2 and 0.375 LiNH2 + 0.25 LiBH4 + 0.375 CaH2 operating at 1 wt. % reversible hydrogen below 175 °C. Powder x-ray diffraction revealed a new structure for the spent materials which had not been previously observed. While the storage capacity was not impressive, an important aspect is that it boron appears to participate in a low temperature reversible reaction. The last major area of study also focused

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

2011-02-14T23:59:59.000Z

114

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

SciTech Connect

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

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

2011-02-14T23:59:59.000Z

115

Effects of low-temperature catalytic pretreatments on coal structure and reactivity in liquefaction. Final technical report, Volume 2 - hydrogenative and hydrothermal pretreatments and spectroscopic characterization using pyrolysis-GC-MS, CPMAS {sup 13}C NMR and FT-IR  

Science Conference Proceedings (OSTI)

It has been indicated by DOE COLIRN panel that low-temperature catalytic pretreatment is a promising approach to the development of an improved liquefaction process. This work is a fundamental study on effects of pretreatments on coal structure and reactivity in liquefaction. The main objectives of this project are to study the coal structural changes induced by low-temperature catalytic and thermal pretreatments by using spectroscopic techniques; and to clarify the pretreatment-induced changes in reactivity or convertibility of coals. As the second volume of the final report, here we summarize our work on spectroscopic characterization of four raw coals including two subbituminous coals and two bituminous coals, tetrahydrofuran (THF)-extracted but unreacted coals, the coals (THF-insoluble parts) that have been thermally pretreated. in the absence of any solvents and in the presence of either a hydrogen-donor solvent or a non-donor solvent, and the coals (THF-insoluble parts) that have been catalytically pretreated in the presence of a dispersed Mo sulfide catalyst in the absence of any solvents and in the presence of either a hydrogen-donor solvent or a non-donor solvent.

Chunshan Song; Hatcher, P.G.; Saini, A.K.; Wenzel, K.A.

1998-01-01T23:59:59.000Z

116

Bonding in boranes and their interaction with molecular hydrogen at extreme conditions  

DOE Green Energy (OSTI)

The effects of high pressure and temperature on the bonding in ammonia borane (AB), NH{sub 3}BH{sub 3} and decaborane (DB), B{sub 10}H{sub 14} and their interactions with molecular hydrogen (H{sub 2}) were investigated using Raman spectroscopy in a diamond anvil cell. At 0.7 GPa, AB becomes amorphous between 120 and 127 C, indicating a positive Clapeyron slope. Heated to 140 C, AB begins to undergo decomposition to polyaminoborane. The amorphous and decomposed AB does not recrystallize back to AB during slow cooling to room temperature or upon application of high pressure up to 3 GPa, underscoring the challenge of rehydrogenation of decomposed AB. The molecular Raman modes broaden in the reacted phase, and the NH{sub 3} modes show no pressure dependence. DB was studied at room temperature up to 11 GPa. The observed frequency dependence with pressure (d{sub {nu}}/dP) and mode Grueneisen parameters varied for different spectral groups, and a new transition was identified at approximately 3 GPa. In both DB and heated AB, we found that they could store additional H{sub 2} with the application of pressure. We estimate that we can store approximately 3 wt % H{sub 2} in heated AB at 3 GPa and 1 wt % H{sub 2} in DB at 4.5 GPa.

Wang, S.

2010-02-24T23:59:59.000Z

117

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

DOE Green Energy (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

118

Catalytic Distillation  

E-Print Network (OSTI)

Catalytic Distillation' refers to a chemical process which performs both a catalyzed reaction and primary fractionation of the reaction components simultaneously. A structured catalyst which also is an effective distillation component has been patented by Chemical Research & Licensing Co., Houston, Texas, and developed in a joint venture with Neochem Corp., Houston, Texas, and the Department of Energy. The catalytic distillation packing has been commercially demonstrated successfully with nearly three years continuous service for an acid catalyzed reaction in a carbon steel distillation tower.

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

1984-01-01T23:59:59.000Z

119

Molecular hydrogen in damped Ly-alpha systems: clues to interstellar physics at high-redshift  

E-Print Network (OSTI)

In order to interpret H2 (molecular hydrogen) quasar absorption line observations of damped Ly-alpha systems (DLAs) and sub-DLAs, we model their H2 abundance as a function of dust-to-gas ratio, including H2 self-shielding and dust extinction against dissociating photons. Then, we constrain the physical state of gas by using H2 data. Using H2 excitation data for DLA with H2 detections, we derive a gas density 1.5 gas ratio of the sample is naturally explained by the above conditions. However, it is still possible that H2 deficient DLAs and sub-DLAs with H2 fractions less than ~ 10^-6 are in a more diffuse and warmer state. The efficient photodissociation by the internal UV radiation field explains the extremely small H2 fraction (gas ratio in units of the Galactic value); H2 self-shielding causes a rapid increase and the large variations of H2 abundance for \\kappa > 1/30. We finally propose an independent method to estimate the star formation rates of DLAs from H2 abundances; such rates are then critically compared with those derived from other proposed methods. The implications for the contribution of DLAs to the cosmic star formation history are briefly discussed.

H. Hirashita; A. Ferrara

2004-11-10T23:59:59.000Z

120

Molecular dynamics simulations of interactions between hydrogen and fusion-relevant materials.  

E-Print Network (OSTI)

??In a thermonuclear reactor fusion between hydrogen isotopes takes place, producing helium and energy. The so-called divertor is the part of the fusion reactor vessel (more)

Rooij, E.D. de

2010-01-01T23:59:59.000Z

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121

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

Science Conference Proceedings (OSTI)

We present the results of a comprehensive theoretical investigation of the role of pendant amine ligands in the oxidation of H2 and formation of H2 by [Ni(P2RN2R)2]2+ electrocatalysts (where P2RN2R is the 1,5-R-3,7-R derivative of 1,5-diaza-3,7-diphosphacyclooctane with R and R are aryl or alkyl groups). We focus our analysis on the thermolchemical part of the catalytic cycle, as it is known to be rate determining for both H2 oxidation and production. We find that the presence of pendant amine functional groups greatly facilitates the heterolytic H2 bond cleavage resulting in a protonated amine functional group and a Ni hydride. Only one single well-positioned pendant amine is required to serve this function. The pendant amine can also effectively shuttle protons to the active site making the redistribution of protons and the H2 evolution a very facile processes. An important requirement for the overall catalytic process is the positioning of at least one amine in close proximity to the metal center. Indeed, only protonation of the pendant amines on the metal center side (endo position) leads to catalytically active intermediates, whereas protonation on the opposite side of the metal center (exo position) leads to a variety of isomers, which are detrimental to catalysis. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under FWP56073.

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

2012-05-15T23:59:59.000Z

122

Final technical report [Molecular genetic analysis of biophotolytic hydrogen production in green algae  

DOE Green Energy (OSTI)

The principal objective of this project was to identify genes necessary for biophotolytic hydrogen production in green algae, using Chlamydomonas reinhardtii as an experimental organism. The main strategy was to isolate mutants that are selectively deficient in hydrogen production and to genetically map, physically isolate, and ultimately sequence the affected genes.

Mets, Laurens

2000-12-31T23:59:59.000Z

123

L. van Dyk, L. Lorenzen, S. Miachon, and J.-A. Dalmon, Xylene isomerization in an extractor type Catalytic Membrane Reactor, Catal. Today, 104 (2005) 274. Page 1 / 7  

E-Print Network (OSTI)

. Rabinovich, N. Alexeev, Plasma catalytic reforming of methane, International Journal of Hydrogen Energy, 24

Paris-Sud XI, Université de

124

Fundamental kinetic modeling of the catalytic reforming process  

Science Conference Proceedings (OSTI)

In this work, a fundamental kinetic model for the catalytic reforming process has been developed. The complex network of elementary steps and molecular reactions occurring in catalytic reforming has been generated through a computer algorithm characterizing ...

Rogelio Sotelo-Boyas / Gilbert F. Froment; Rayford G. Anthony

2005-01-01T23:59:59.000Z

125

The Hydrogen Permeability and Sulfur Resistance of Palladium...  

NLE Websites -- All DOE Office Websites (Extended Search)

2 , Robert M. Enick 3 Abstract Palladium-copper alloys continue to be of interest for hydrogen membrane applications because of their high catalytic activity for hydrogen...

126

The detection of mixtures of NO{sub x}`s with hydrogen using catalytic metal films on the Sandia Robust Sensor with pattern recognition  

DOE Green Energy (OSTI)

Microsensors often do not have the selectivity to chemical species available in large laboratory instruments. A new type of pattern recognition algorithm is used to classify mixtures of H{sub 2} with NO{sub 2} and O{sub 2}. The microsensors used are thin film catalytic metal field effect transistors and chemiresistors on the Sandia Robust Sensor platform. For this study pure Pd thin films and Pd/Ni alloys are shown to provide good classification of mixtures containing NO{sub 2} from those containing O{sub 2} or no oxidant.

Hughes, R.C.; Osbourn, G.C.; Bartholomew, J.W.; Rodriguez, J.L.

1994-12-31T23:59:59.000Z

127

The Transition from Atomic to Molecular Hydrogen in Interstellar Clouds: 21cm Signature of the Evolution of Cold Atomic Hydrogen in Dense Clouds  

E-Print Network (OSTI)

We have investigated the time scale for formation of molecular clouds by examining the conversion of HI to H2 using a time-dependent model. H2 formation on dust grains and cosmic ray and photo destruction are included in one-dimensional model slab clouds which incorporate time-independent density and temperature distributions. We calculate 21cm spectral line profiles seen in absorption against a background provided by general Galactic HI emission, and compare the model spectra with HI Narrow Self-Absorption, or HINSA, profiles absorbed in a number of nearby molecular clouds. The time evolution of the HI and H2 densities is dramatic, with the atomic hydrogen disappearing in a wave propagating from the central, denser regions which have a shorter H2 formation time scale, to the edges, where the density is lower and the time scale for H2 formation longer. The model 21cm spectra are characterized by very strong absorption at early times, when the HI column density through the model clouds is extremely large. The minimum time required for a cloud to have evolved to its observed configuration, based on the model spectra, is set by the requirement that most of the HI in the outer portions of the cloud, which otherwise overwhelms the narrow absorption, be removed. The characteristic time that has elapsed since cloud compression and initiation of the HI to H2 conversion is a few x 10^{14} s or ~ 10^7 yr. This sets a minimum time for the age of these molecular clouds and thus for the star formation that may take place within them.

Paul F. Goldsmith; Di Li; Marko Krco

2006-10-12T23:59:59.000Z

128

Molecular Components of Catalytic Selectivity  

E-Print Network (OSTI)

P. D. Yang, Angewandte Chemie-International Edition 2006,G. M. Schwab, Angewandte Chemie-International Edition 1967,ANGEWANDTE PHYSIKALISCHE CHEMIE 1932, 38, 666. Gibbs free

Somorjai, Gabor A.

2009-01-01T23:59:59.000Z

129

Molecular Components of Catalytic Selectivity  

E-Print Network (OSTI)

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

Somorjai, Gabor A.

2009-01-01T23:59:59.000Z

130

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

Science Conference Proceedings (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

131

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

132

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

133

Method of fabricating a catalytic structure  

SciTech Connect

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

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

2009-09-22T23:59:59.000Z

134

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

Science Conference Proceedings (OSTI)

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

Neurock, Matthew

2011-05-26T23:59:59.000Z

135

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

DOE Green Energy (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

136

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

DOE Green Energy (OSTI)

Once certified, a combinatorial 21-point study of the NaAlH4 ?? LiAlH4 ??Mg(AlH4)2 phase diagram was investigated with the MT assay. Stability proved to be a problem as many of the materials decomposed during synthesis, altering the expected assay results. This resulted in repeating the entire experiment with a mild milling approach, which only temporarily increased capacity. NaAlH4 was the best performer in both studies and no new mixed alanates were observed, a result consistent with the VHTS. Powder XRD suggested that the reverse reaction, the regeneration of the alanate from alkali hydride, Al and hydrogen, was hampering reversibility. The reverse reaction was then studied for the same phase diagram, starting with LiH, NaH, and MgH2, and Al. The study was extended to phase diagrams including KH and CaH2 as well. The observed hydrogen storage capacity in the Al hexahydrides was less than 4 wt. %, well short of DOE targets. The HT assay came on line and after certification with studies on NaAlH4, was first applied to the LiNH2 - LiBH4 - MgH2 phase diagram. The 60-point study elucidated trends within the system locating an optimum material of 0.6 LiNH2 ?? 0.3 MgH2 ?? 0.1 LiBH4 that stored about 4 wt. % H2 reversibly and operated below 220 °C. Also present was the phase Li4(NH2)3BH4, which had been discovered in the LiNH2 -LiBH4 system. This new ternary formulation performed much better than the well-known 2 LiNH2 ?? MgH2 system by 50 °C in the HT assay. The Li4(NH2)3BH4 is a low melting ionic liquid under our test conditions and facilitates the phase transformations required in the hydrogen storage reaction, which no longer relies on a higher energy solid state reaction pathway. Further study showed that the 0.6 LiNH2 ?? 0.3 MgH2 ?? 0.1 LiBH4 formulation was very stable with respect to ammonia and diborane desorption, the observed desorption was from hydrogen. This result could not have been anticipated and was made possible by the efficiency of HT combinatorial methods. Investigation of the analogous LiNH2 ?? LiBH4 ?? CaH2 phase diagram revealed new reversible hydrogen storage materials 0.625 LiBH4 + 0.375 CaH2 and 0.375 LiNH2 + 0.25 LiBH4 + 0.375 CaH2 operating at 1 wt. % reversible hydrogen below 175 °C. Powder x-ray diffraction revealed a new structure for the spent materials which had not been previously observed. While the storage capacity was not impressive, an important aspect is that it boron appears to participate in a low temperature reversible reaction. The last major area of study also focused

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

2011-02-14T23:59:59.000Z

137

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

SciTech Connect

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 (ETPT and PTET, 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 acidcatalyst complex, PT free energy barrier, and ET reduction potential. The ET reduction potential is less negative after PT, favoring the PTET mechanism, and the association free energy is less positive after reduction, favoring the ETPT mechanism. The calculations, along with analysis of the experimental data, indicate that the sequential ETPT mechanism is favored for weak acids because of the substantial decrease in the association free energy after reduction. For strong acids, however, the PTET 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

The mobile phase in coals: Its nature and modes of release: Final report: Part 1, Structural inferences from dry catalytic hydrogenation of a subbituminous coal  

DOE Green Energy (OSTI)

In a study to provide insight into the two component structural model of coal and the mechanisms of coal liquefaction, an approach was adopted in which a subbituminous coal was reacted with hydrogen in the presence of an impregnated molybdenum sulphide catalyst and in the absence of solvent. Reactions were conducted at temperatures between 300 and 400/sup 0/C and for reaction times up to 180 min. The composition and yields of gaseous products, chloroform-soluble liquids and insoluble residues were followed as a function of the reaction conditions by means of different analytical and characterization techniques: gas chromatography; /sup 1/H NMR; elemental analysis; FTIR; solvent swelling in pyridine. 105 refs., 20 figs., 12 tabs.

Terrer, M.T.; Derbyshire, F.J.

1986-12-01T23:59:59.000Z

139

Raney nickel catalytic device  

DOE Patents (OSTI)

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

O' Hare, Stephen A. (Vienna, VA)

1978-01-01T23:59:59.000Z

140

Surface Segregation in a PdCu Alloy Hydrogen Separation Membrane  

DOE Green Energy (OSTI)

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

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

2007-06-01T23:59:59.000Z

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

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

142

High temperature catalytic membrane reactors  

DOE Green Energy (OSTI)

Current state-of-the-art inorganic oxide membranes offer the potential of being modified to yield catalytic properties. The resulting modules may be configured to simultaneously induce catalytic reactions with product concentration and separation in a single processing step. Processes utilizing such catalytically active membrane reactors have the potential for dramatically increasing yield reactions which are currently limited by either thermodynamic equilibria, product inhibition, or kinetic selectivity. Examples of commercial interest include hydrogenation, dehydrogenation, partial and selective oxidation, hydrations, hydrocarbon cracking, olefin metathesis, hydroformylation, and olefin polymerization. A large portion of the most significant reactions fall into the category of high temperature, gas phase chemical and petrochemical processes. Microporous oxide membranes are well suited for these applications. A program is proposed to investigate selected model reactions of commercial interest (i.e. dehydrogenation of ethylbenzene to styrene and dehydrogenation of butane to butadiene) using a high temperature catalytic membrane reactor. Membranes will be developed, reaction dynamics characterized, and production processes developed, culminating in laboratory-scale demonstration of technical and economic feasibility. As a result, the anticipated increased yield per reactor pass economic incentives are envisioned. First, a large decrease in the temperature required to obtain high yield should be possible because of the reduced driving force requirement. Significantly higher conversion per pass implies a reduced recycle ratio, as well as reduced reactor size. Both factors result in reduced capital costs, as well as savings in cost of reactants and energy.

Not Available

1990-03-01T23:59:59.000Z

143

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

SciTech Connect

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

144

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

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

DOE Hydrogen and Fuel Cells Program: 2005 Annual Progress Report - Storage  

NLE Websites -- All DOE Office Websites (Extended Search)

Storage Storage Printable Version 2005 Annual Progress Report VI. Storage This section of the 2005 Progress Report for the DOE Hydrogen Program focuses on storage. Each technical report is available as an individual Adobe Acrobat PDF. Download Adobe Reader. Hydrogen Storage Sub-program Overview, Sunita Satyapal, Department of Energy (PDF 244 KB) A. Metal Hydrides Catalytically Enhanced Hydrogen Storage Systems, Craig M. Jensen, University of Hawaii (PDF 441 KB) High Density Hydrogen Storage System Demonstration using NaAlH4 Based Complex Compound Hydrides, Donald L. Anton, United Technologies Research Center (PDF 633 KB) Discovery of Novel Complex Metal Hydrides for Hydrogen Storage through Molecular Modeling and Combinatorial Methods, David A. Lesch, UOP LLC (PDF 308 KB)

148

Glycoside hydrolases: Catalytic base/nucleophile diversity  

NLE Websites -- All DOE Office Websites (Extended Search)

Glycoside Glycoside Hydrolases: Catalytic Base/Nucleophile Diversity Thu V. Vuong, David B. Wilson Department of Molecular Biology and Genetics, Cornell University, 458 Biotechnology Building, Ithaca, New York 14850; telephone: 607-255-5706; fax: 607-255-2428; e-mail: dbw3@cornell.edu Received 1 April 2010; revision received 27 May 2010; accepted 2 June 2010 Published online 15 June 2010 in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/bit.22838 ABSTRACT: Recent studies have shown that a number of glycoside hydrolase families do not follow the classical catalytic mechanisms, as they lack a typical catalytic base/ nucleophile. A variety of mechanisms are used to replace this function, including substrate-assisted catalysis, a network of several residues, and the use of non-carboxylate residues or exogenous nucleophiles. Removal of the catalytic base/ nucleophile

149

Analysis of hydrogen isotope mixtures  

DOE Patents (OSTI)

Disclosed are an apparatus and a method for determining 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, E.

1992-12-31T23:59:59.000Z

150

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

151

CATALYTIC CONVERSION OF ORGANIC COMPOUNDS USING PENETRATING RADIATION  

DOE Patents (OSTI)

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

Caffrey, J.M. Jr.

1961-10-01T23:59:59.000Z

152

Rich catalytic injection  

SciTech Connect

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

153

Multizone catalytic reforming process  

Science Conference Proceedings (OSTI)

This patent describes a process for the catalytic reforming of hydrocarbons comprising contacting the hydrocarbon feed in two sequential catalyst zones. It comprises: a first catalyst zone contains a first catalytic composite consisting essentially of a platinum component, a germanium component, a refractory inorganic oxide, and a halogen component; and a second catalyst zone contains a second catalytic composite comprising a platinum component, a germanium component, a refractory inorganic oxide, a halogen component, and catalytically effective amounts of a metal promoter selected from rhenium, rhodium, ruthenium, cobalt, nickel, and iridium, and mixtures thereof.

Moser, M.C.; Lawson, R.J.; Antos, G.J.; Wang, L.; Parulekar, V.N.

1990-05-29T23:59:59.000Z

154

Catalytic reforming process  

Science Conference Proceedings (OSTI)

A catalytic reforming process is disclosed in which substantially all of the heat requirements of the product stabilizer column is supplied by multiple indirect heat exchange.

Peters, K.D.

1983-10-11T23:59:59.000Z

155

Catalytic conversion of biomass.  

E-Print Network (OSTI)

?? Catalytic processes for conversion of biomass to transportation fuels have gained an increasing attention in sustainable energy production. The biomass can be converted to (more)

Calleja Aguado, Raquel

2013-01-01T23:59:59.000Z

156

"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

157

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

158

Catalytic distillation structure  

DOE Patents (OSTI)

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

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

1984-01-01T23:59:59.000Z

159

Hydrogen from renewable resources. Monthly progress report  

DOE Green Energy (OSTI)

This report summarizes activities for September 1995 for the following areas of Hydrogen Production Task: Photobiological production; Photoelectrochemical production; and, Thermochemical production of hydrogen from wet biomass. For the Hydrogen Storage Task, these areas are addressed: Reversible catalytic dehydrogenation of cycloalkanes by polyhydride complexes; and, Polyhydride systems engineering.

Rocheleau, R.E.

1995-09-01T23:59:59.000Z

160

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

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.


161

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

162

Metal- and Cluster-Modified Ultrahigh-Area Materials for the Ambient Temperature Storage of Molecular Hydrogen - DOE Hydrogen and Fuel Cells Program FY 2012 Annual Progress Report  

NLE Websites -- All DOE Office Websites (Extended Search)

5 5 FY 2012 Annual Progress Report DOE Hydrogen and Fuel Cells Program Joseph E. Mondloch (Primary Contact), Joseph T. Hupp, Omar K. Farha Northwestern University 2145 Sheridan Road Evanston, IL 60208 Phone: (847) 467-4932 Email: mojo0001@gmail.com DOE Managers HQ: Grace Ordaz Phone: (202) 586-8350 Email: Grace.Ordaz@ee.doe.gov GO: Gregory Kleen Phone: (720) 356-1672 Email: Gregory.Kleen@go.doe.gov Contract Number: This research was supported in part by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the EERE Fuel Cell Technologies Program administered by Oak Ridge Institute for Science and Education (ORISE) for the DOE. ORISE is managed by Oak Ridge Associated

163

APPARATUS FOR CATALYTICALLY COMBINING GASES  

DOE Patents (OSTI)

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

Busey, H.M.

1958-08-12T23:59:59.000Z

164

Infrared Spectroscopy and Hydrogen-Bond Dynamics of Liquid Water from Centroid Molecular Dynamics with an Ab Initio-Based Force Field  

DOE Green Energy (OSTI)

A molecular-level description of the unique properties of hydrogen-bond networks is critical for understanding many fundamental physico-chemical processes in aqueous environments. In this article a novel simulation approach, combining an ab-initio based force field for water with a quantum treatment of the nuclear motion, is applied to investigate hydrogen-bond dynamics in liquid water with a specific focus on the relationship of these dynamics to vibrational spectroscopy. Linear and nonlinear infrared (IR) spectra are calculated for liquid water, HOD in D2O and HOD in H2O and discussed in the context of the results obtained using other approaches that have been employed in studies of water dynamics. A comparison between the calculated spectra and the available experimental data yields an overall good agreement, indicating the accuracy of the present simulation approach in describing the properties of liquid water at ambient conditions. Possible improvements on the representation of the underlying water interactions as well as the treatment of the molecular motion at the quantum-mechanical level are also discussed. This research was supported by the Division of Chemical Sciences, Biosciences and Geosciences, US Department of Energy. Battelle operates the Pacific Northwest National Laboratory for the US Department of Energy.

Paesani, Francesco; Xantheas, Sotiris S.; Voth, Gregory A.

2009-10-01T23:59:59.000Z

165

Development of hollow fiber catalytic membrane reactors for high temperature gas cleanup  

DOE Green Energy (OSTI)

The technology employed in the Integrated Gasification Combined Cycle (IGCC) permits burning coals with a wide range of sulfur concentrations. Emissions from the process should be reduced by an order of magnitude below stringent federal air quality regulations for coal-fired plants. The maximum thermal efficiency of this type of process can be achieved by removing sulfur and particulates from the high temperature gas. The objective of this project was to develop economically and technically viable catalytic membrane reactors for high temperature, high pressure gaseous contaminant control in IGCC systems. These catalytic membrane reactors were used to decompose H{sub 2}S and separate the reaction products. The reactors were designed to operate in the hostile process environment of the IGCC systems, and at temperatures ranging from 500 to 1,000. Feasibility of the membrane reactor process for decomposition of hydrogen sulfide was demonstrated; permeability and selectivity of molecular-sieve and Vycor glass membranes were studied at temperatures up to 1,000 C; experimental study of hydrogen sulfide in the membrane reactor was completed; and a generalized mathematical model was developed for the simulation of the high temperature membrane reactor.

Ma, Y.H.; Moser, W.R.; Pien, S.; Shelekhin, A.B.

1994-10-01T23:59:59.000Z

166

Multizone catalytic reforming process  

Science Conference Proceedings (OSTI)

This patent describes a process for the catalytic reforming of hydrocarbons comprising contacting the hydrocarbon feed in two sequential catalyst zones. It comprises: an initial catalyst zone which is a fixed-bed system and contains an initial catalytic composite comprising a platinum component, a germanium component, a refractory inorganic oxide, and a halogen component; and a terminal catalyst zone which is a moving-bed system with associated continuous catalyst regeneration and contains a terminal catalytic composite having the essential absence of germanium and comprising a platinum component, a refractory inorganic oxide, a halogen component, and catalytically effective amounts of a metal promoter selected from one or more of the rhenium, tin, indium, rhodium, ruthenium, cobalt, nickel, and iridium.

Moser, M.; Lawson, R.J.; Wang, L.; Parulekar, V.; Peer, R.L.; Hamlin, C.R.

1991-01-15T23:59:59.000Z

167

Catalytic distillation process  

DOE Patents (OSTI)

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

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

1982-01-01T23:59:59.000Z

168

Catalytic distillation process  

DOE Patents (OSTI)

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

Smith, L.A. Jr.

1982-06-22T23:59:59.000Z

169

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

170

Catalytic distillation structure  

DOE Patents (OSTI)

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

Smith, L.A. Jr.

1984-04-17T23:59:59.000Z

171

Catalytic conversion of light alkanes. Quarterly progress report, April 1--June 30, 1992  

DOE Green Energy (OSTI)

The second Quarterly Report of 1992 on the Catalytic Conversion of Light Alkanes reviews the work done between April 1, 1992 and June 31, 1992 on the Cooperative Agreement. The mission of this work is to devise a new catalyst which can be used in a simple economic process to convert the light alkanes in natural gas to oxygenate products that can either be used as clean-burning, high octane liquid fuels, as fuel components or as precursors to liquid hydrocarbon uwspomdon fuel. During the past quarter we have continued to design, prepare, characterize and test novel catalysts for the mild selective reaction of light hydrocarbons with air or oxygen to produce alcohols directly. These catalysts are designed to form active metal oxo (MO) species and to be uniquely active for the homolytic cleavage of the carbon-hydrogen bonds in light alkanes producing intermediates which can form alcohols. We continue to investigate three molecular environments for the active catalytic species that we are trying to generate: electron-deficient macrocycles (PHASE I), polyoxometallates (PHASE II), and regular oxidic lattices including zeolites and related structures as well as other molecular surface structures having metal oxo groups (PHASE I).

Lyons, J.E.

1992-06-30T23:59:59.000Z

172

Catalytic conversion of light alkanes: Quarterly report, January 1-March 31, 1992  

DOE Green Energy (OSTI)

The first Quarterly Report of 1992 on the Catalytic Conversion of Light Alkanes reviews the work done between January 1. 1992 and March 31, 1992 on the Cooperative Agreement. The mission of this work is to devise a new catalyst which can be used in a simple economic process to convert the light alkanes in natural gas to oxygenate products which can either be used as clean-burning, high octane liquid fuels, as fuel components or as precursors to liquid hydrocarbon transportation fuel. During the past quarter we have continued to design, prepare, characterize and test novel catalysts for the mild selective reaction of light hydrocarbons with air or oxygen to produce alcohols directly. These catalysts are designed to form active metal oxo (MO) species and to be uniquely active for the homolytic cleavage of the carbon-hydrogen bonds in light alkanes producing intermediates which can form alcohols. We continue to investigate three molecular environments for the active catalytic species that we are trying to generate: electron-deficient porphryinic macrocycles (PHASE I), polyoxometallates (PHASE II), and regular oxidic lattices including zeolites and related structures as well as other molecular surface structures having metal oxo groups (PHASE III).

Biscardi, J.; Bowden, P.T.; Durante, V.A.; Ellis, P.E. Jr.; Gray, H.B.; Gorbey, R.G.; Hayes, R.C.; Hodge, J.; Hughes, M.; Langdale, W.A.; Lyons, J.E.; Marcus, B.; Messick, D.; Merrill, R.A.; Moore, F.A.; Myers, H.K. Jr.; Seitzer, W.H.; Shaikh, S.N.; Tsao, W.H.; Wagner, R.W.; Warren, R.W.; Wijesekera, T.P.

1997-05-01T23:59:59.000Z

173

Hydrogenation using hydrides and acid  

DOE Patents (OSTI)

The present invention relates to a very rapid, non-catalytic process for hydrogenating unsaturated organic compounds that can be carried out at temperatures generally lower than previously utilized. In this process organic compounds which contain at least one reducible functional group are hydrogenated non-catalytically by reacting them with a hydride complex and a strong acid. The reducible functional group may be, for example, C=C, C-OH, C-O-C, or a strained cyclic structure. If the reactants are not mutually soluble, they are dissolved in an appropriate inert solvent. 3 tabs.

Bullock, R.M.

1989-12-13T23:59:59.000Z

174

Hydration, Swelling, Interlayer Structure, and Hydrogen Bonding in Organolayered Double Hydroxides: Insights from Molecular Dynamics Simulation of Citrate-Intercalated  

E-Print Network (OSTI)

citrate, C6H5O7 3- , as the charge balancing interlayer anion provides new molecular scale insight hydration levels, in contrast to the preferred low hydration states of most LDHs intercalated with small. Introduction Layered double hydroxides (LDHs), also known as hydro- talcite-like compounds, form an important

Kalinichev, Andrey G.

175

Hydrogen spillover: Its "diffusion" from catalysis to hydrogen storage community  

DOE Green Energy (OSTI)

Dissociative adsorption of hydrogen on catalyst sites followed by surface diffusion (spillover) to a carbon support was first reported for Pt-carbon catalysts (Robell, 1964) and was soon accepted as a valid step of numerous catalytic reactions. However, the concept of metal-assisted hydrogen storage (Schwarz, 1988) based on spillover entered much later the hydrogen community (Lueking and Yang, 2002) and is gaining recognition slowly as an alternate approach for enhancing hydrogen storage capacity of microporous materials for fuel-cell powered vehicles. This talk will analyze the significance and limits of the spillover mechanism for adsorptive storage of hydrogen, with examples of enhanced hydrogen uptake on Pd-containing activated carbon fibers. Evidence of the atomic nature of spilt-over hydrogen will be presented based on experimental results from inelastic neutron spectroscopy studies. Research sponsored by the Division of Materials Sciences and Engineering, U.S. Department of Energy under contract with UT-Battelle, LLC.

Contescu, Cristian I [ORNL; Bhat, Vinay V [ORNL; Gallego, Nidia C [ORNL

2009-01-01T23:59:59.000Z

176

Catalytic Coal Gasification Process  

NLE Websites -- All DOE Office Websites (Extended Search)

Catalytic Coal Gasification Process Catalytic Coal Gasification Process for the Production of Methane-Rich Syngas Opportunity Research is active on the patent pending technology, titled "Production of Methane-Rich Syngas from Fuels Using Multi-functional Catalyst/Capture Agent." This technology is available for licensing and/or further collaborative research from the U.S. Department of Energy's National Energy Technology Laboratory. Overview Reducing pollution emitted by coal and waste power plants in an economically viable manner and building power plants that co-generate fuels and chemicals during times of low electricity demand are pressing goals for the energy industry. One way to achieve these goals in an economically viable manner is through the use of a catalytic gasifier that

177

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

178

Catalytic Solutions Inc CSI | Open Energy Information  

Open Energy Info (EERE)

Developer of the breakthrough catalytic coating technology and the Mixed Phase Catalyst (MPCTM), and also manufacturer of catalytic converters. References Catalytic...

179

Molecular nanocomposites.  

Science Conference Proceedings (OSTI)

The goals of this project are to understand the fundamental principles that govern the formation and function of novel nanoscale and nanocomposite materials. Specific scientific issues being addressed include: design and synthesis of complex molecular precursors with controlled architectures, controlled synthesis of nanoclusters and nanoparticles, development of robust two or three-dimensionally ordered nanocomposite materials with integrated functionalities that can respond to internal or external stimuli through specific molecular interactions or phase transitions, fundamental understanding of molecular self-assembly mechanisms on multiple length scales, and fundamental understanding of transport, electronic, optical, magnetic, catalytic and photocatalytic properties derived from the nanoscale phenomena and unique surface and interfacial chemistry for DOE's energy mission.

Voigt, James A.

2010-03-01T23:59:59.000Z

180

DOE Hydrogen Analysis Repository: H2A Case Study: Future Central...  

NLE Websites -- All DOE Office Websites (Extended Search)

230 Principal Investigator: Darlene Steward Keywords: Biomass; hydrogen production; gasifier; water gas shift (WGS); catalytic steam reforming Purpose The purpose of this...

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 conversion of LPG  

Science Conference Proceedings (OSTI)

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

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

1986-01-01T23:59:59.000Z

182

Catalytic reforming process  

Science Conference Proceedings (OSTI)

A catalytic reforming process is disclosed wherein the reboiler heat requirements of the stabilizer column are supplied by means of indirect heat exchange with hot combustion gases in the reforming reactants fired heater convection heating section. Heat in excess of the reboiler requirements is passed to the stabilizer column with control being effected by removal of excess heat from the column.

James, R.B. Jr.

1984-02-14T23:59:59.000Z

183

Catalytic skeletal isomerization  

Science Conference Proceedings (OSTI)

The catalytic reforming of a feedstock which contains a derivative of cyclopentane or which contains organic compounds which are convertible to a derivative of cyclopentane is carried out in the presence of a hydrogrel of zinc titanate and a suitable acidic material. Also, the attrition resistance of zinc titanate is improved by incorporating the zinc titanate into a hydrogel structure.

Aldag, A.W.

1984-05-01T23:59:59.000Z

184

Catalytic multi-stage liquefaction (CMSL)  

DOE Green Energy (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

185

Texaco, carbide form hydrogen plant venture  

Science Conference Proceedings (OSTI)

This paper reports that Texaco Inc. and Union Carbide Industrial Gases Inc. (UCIG) have formed a joint venture to develop and operate hydrogen plants. The venture, named HydroGEN Supply Co., is owned by Texaco Hydrogen Inc., a wholly owned subsidiary of Texaco, and UCIG Hydrogen Services Inc., a wholly owned subsidiary of UCIG. Plants built by HydroGEN will combine Texaco's HyTEX technology for hydrogen production with UCIG's position in cryogenic and advanced air separation technology. Texaco the U.S. demand for hydrogen is expected to increase sharply during the next decade, while refinery hydrogen supply is expected to drop. The Clean Air Act amendments of 1990 require U.S. refiners to lower aromatics in gasoline, resulting in less hydrogen recovered by refiners from catalytic reforming units. Meanwhile, requirements to reduce sulfur in diesel fuel will require more hydrogen capacity.

Not Available

1992-03-30T23:59:59.000Z

186

Hydrogen-donor coal liquefaction process  

DOE Patents (OSTI)

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

Wilson, Jr., Edward L. (Baytown, TX); Mitchell, Willard N. (Baytown, TX)

1980-01-01T23:59:59.000Z

187

Catalytic coal hydroliquefaction process  

SciTech Connect

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

188

Hydrogen rotation-vibration oscillator  

DOE Patents (OSTI)

A laser system is described wherein molecular species of hydrogen and hydrogen isotopes are induced to oscillate on rotational-vibrational levels by subjecting the hydrogen to a transverse beam of electrons of a narrowly defined energy between about 1 and 5 eV, thereby producing high intensity and high energy output. (Official Gazette)

Rhodes, C.K.

1974-01-29T23:59:59.000Z

189

Hydrogen Sensor  

NLE Websites -- All DOE Office Websites (Extended Search)

sensor for detectingquantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces...

190

IFP solutions for revamping catalytic reforming units  

Science Conference Proceedings (OSTI)

The decision-making process for the refiner considering a revamp of a catalytic reforming unit comprises many factors. These may be grouped in two broad areas: technical and economic. This paper presents the results of a study performed by IFP that illustrates catalytic reforming unit revamp options. Three IFP processes are described and operating conditions, expected yields, and economic data are presented. The following options are discussed: base case Conventional, fixed-bed, semi-regenerative catalytic reformer; Case 1--revamp using IFP Dualforming technology; Case 2--revamp using IFP Dualforming Plus technology; and Case 3--revamp to IFP Octanizing technology. The study illustrates various options for the refiner to balance unit performance improvements with equipment, site, and economic constraints. The study was performed assuming design feedrate of 98.2 tons/hour (20,000 BPSD) in all cases. Because of the increased need for octane in many refineries, the study assumed that operating severity was set at a design value of 100 research octane number clear (RON). In all of the cases in this study, it was assumed that the existing recycle compressor was reused. Operating pressure differences between the cases is discussed separately. Also, in all cases, a booster compressor was included in order to return export hydrogen pressure to that of the conventional unit.

Gendler, J.L. [HRI, Inc., Princeton, NJ (United States); Domergue, B.; Mank, L. [Inst. Francais du Petrole, Rueil Malmaison (France)

1996-12-01T23:59:59.000Z

191

Catalytic thermal barrier coatings  

Science Conference Proceedings (OSTI)

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

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

2009-06-02T23:59:59.000Z

192

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

193

CSD: Research: Catalytic Science  

NLE Websites -- All DOE Office Websites (Extended Search)

Catalytic Science Catalytic Science The DOE Chemical Energy program supports basic research in the area of chemical transformations or conversions which are fundamental to new or existing concepts of energy production and storage. A further goal of the program is to identify and develop environmentally benign approaches to the synthesis of chemicals via routes requiring a minimal consumption of energy. These objectives lead naturally to an emphasis on catalysis. Novel homogeneous and heterogeneous catalysts are constantly being sought to enable the synthesis of desired products from nontraditional reactants, often with the aim of minimizing the production of toxic intermediates or byproducts, or to enable the more efficient production of products via existing reaction pathways. To this end, efforts are undertaken to

194

Cost and Performance Comparison Of Stationary Hydrogen Fueling Appliances  

E-Print Network (OSTI)

or nitrogen from air and the purification of hydrogen from sources such as catalytic reformer off gas, coke oven gas, and ethylene plant effluent gas. Pressure swing systems are based on selective adsorbent beds of hydrogen from natural gas to fuel hydrogen FCV's. Four potential reforming systems were studied: 10

195

Catalytic reforming catalyst  

Science Conference Proceedings (OSTI)

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

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

1980-12-09T23:59:59.000Z

196

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

DOE Green Energy (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

197

Revolutionary systems for catalytic combustion and diesel catalytic particulate traps.  

DOE Green Energy (OSTI)

This report is a summary of an LDRD project completed for the development of materials and structures conducive to advancing the state of the art for catalyst supports and diesel particulate traps. An ancillary development for bio-medical bone scaffolding was also realized. Traditionally, a low-pressure drop catalyst support, such as a ceramic honeycomb monolith, is used for catalytic reactions that require high flow rates of gases at high-temperatures. A drawback to the traditional honeycomb monoliths under these operating conditions is poor mass transfer to the catalyst surface in the straight-through channels. ''Robocasting'' is a unique process developed at Sandia National Laboratories that can be used to manufacture ceramic monoliths with alternative 3-dimensional geometries, providing tortuous pathways to increase mass transfer while maintaining low-pressure drops. These alternative 3-dimensional geometries may also provide a foundation for the development of self-regenerating supports capable of trapping and combusting soot particles from a diesel engine exhaust stream. This report describes the structures developed and characterizes the improved catalytic performance that can result. The results show that, relative to honeycomb monolith supports, considerable improvement in mass transfer efficiency is observed for robocast samples synthesized using an FCC-like geometry of alternating rods. Also, there is clearly a trade-off between enhanced mass transfer and increased pressure drop, which can be optimized depending on the particular demands of a given application. Practical applications include the combustion of natural gas for power generation, production of syngas, and hydrogen reforming reactions. The robocast lattice structures also show practicality for diesel particulate trapping. Preliminary results for trapping efficiency are reported as well as the development of electrically resistive lattices that can regenerate the structure by combusting the trapped soot. During this project an ancillary bio-medical application was discovered for lattices of hydroxyapatite. These structures show promise as bone scaffolds for the reparation of damaged bone. A case study depicting the manufacture of a customized device that fits into a damaged mandible is described.

Stuecker, John Nicholas; Witze, Peter O.; Ferrizz, Robert Matthew; Cesarano, Joseph, III; Miller, James Edward

2004-12-01T23:59:59.000Z

198

Production of Hydrogen from Peanut Shells The goal of this project is the production of renewable hydrogen from agricultural  

E-Print Network (OSTI)

to existing methane reforming technologies. The hydrogen produced will be blended with CNG and used to power activated carbon. The vapor by-products from the first step can be steam reformed into hydrogen. NREL has developed the technology for bio- oil to hydrogen via catalytic steam reforming and shift conversion

199

Hydrogen Publications  

Science Conference Proceedings (OSTI)

Thermophysical Properties of Hydrogen. ... These articles, of interest to the hydrogen community, can be viewed by clicking on the title. ...

200

Properties Hydrogen  

Science Conference Proceedings (OSTI)

Thermophysical Properties of Hydrogen. PROPERTIES, ... For information on a PC database that includes hydrogen property information click here. ...

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

Turing Water into Hydrogen Fuel  

NLE Websites -- All DOE Office Websites (Extended Search)

Turning Water into 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, Materials Science NERSC Contact: Linda Vu, lvu@lbl.gov, +1 510 495 2402 PNNL Contacts: Loel Kathmann, Loel.Kathmann@pnnl.gov, +1 509 371 6068 Artwork from this catalysis research graced the cover of Physical Chemistry Chemical Physics. Image reproduced by permission of Dr Igor Lyubinetsky and the PCCP Owner Societies from Phys. Chem. Chem. Phys. 2012. Build a surface of titanium and oxygen atoms arranged just so, coat with water, and add sunshine. What do you get? In theory, energy-rich hydrogen produced by photolysis-a process by which water molecules placed on a catalytic surface and exposed to sunlight (electromagnetic radiation) are

202

Catalytic distillation : design and application of a catalytic distillation column.  

E-Print Network (OSTI)

??Catalytic Distillation (CD) is a hybrid technology that utilizes the dynamics of si- multaneous reaction and separation in a single process unit to achieve a (more)

Nieuwoudt, Josias Jakobus (Jako)

2005-01-01T23:59:59.000Z

203

Hydrogen & Fuel Cells - Hydrogen - Hydrogen Storage  

NLE Websites -- All DOE Office Websites (Extended Search)

University of Chicago team. On-board hydrogen storage is critical to the development of future high energy efficiency transportation technologies, such as hydrogen-powered fuel...

204

I. Interaction of ammonia with single crystal rhodium catalysts. II. Hydrogen and nitrogen adsorption on a W(111) surface: a theoretical molecular orbital approach  

DOE Green Energy (OSTI)

Rates of ammonia decomposition on (110), (100), and (111) single crystal faces of rhodium were measured at 580 to 725/sup 0/K and 10/sup -3/ to 500 x 10/sup -3/ torr. The decomposition rates were proportional to P/sub NH/sub 3//sup/1/2/ and P/sub NH/sub 3// at low and high hydrogen pressures, respectively. The H/sub 2/ kinetic order varied from 0 (low P/sub H/sub 2//) to -1.0 (high P/sub H/). The rate was independent of N/sub 2/ pressure. NH/sub 3/ decomposes about 1.5 times faster than ND/sub 3/ on the (110) and (111) faces. Rates on the (110) surface are over 10 times as rapid as on the (111). LEED, Auger, and flash desorption experiments indicated that boron was a significant surface poison and that the Rh(110) surface was essentially nitrogen-free. A rate expression is derived from a model involving surface species Rh/sub 2/NH, RhH, and RhN on a nearly bare RH surface. The rate limiting process involves the concurrent dehydrogenation of Rh/sub 2/NH and desorption of N/sub 2/. A decreasing NH/sub 3/ order (< 1/2) at high P/sub NH/sub 3// and low T is due to buildup of surface intermediates. The relative bonding energies of hydrogen and nitrogen chemisorbed at three sites on a W(111) surface were obtained via the extended Hueckel molecular orbital theory. The preferred site for both H and N chemisorption was determined as the TOP position, i.e., a single coordination site on top of a protruding W atom. The W(111) surface was simulated by truncated arrays of seven tungsten atoms. The basis set for the calculations included the tungsten valence orbitals plus the filled 5p orbitals needed for repulsion at small internuclear distances. N adsorption in the three-fold holes available on the W(111) lattices used disrupted the W--W bonds sufficiently to cause the overall bond energy to be less than for the single coordination site. The dissymmetry between the three-fold lattices and the four-fold W d orbitals may also be a contributing factor.

Vavere, A.

1979-01-01T23:59:59.000Z

205

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

206

Catalytic reforming process  

Science Conference Proceedings (OSTI)

This patent describes a catalytic reforming process which comprises contacting a naphtha range feed with a low acidity extrudate comprising an intermediate and/or a large pore acidic zeolite bound with a low acidity refractory oxide under reforming conditions to provide a reaction product of increased aromatic content, the extrudate having been prepared with at least an extrusion-facilitating amount of a low acidity refractory oxide in colloidal form and containing at least one metal species selected from the platinum group metals.

Absil, R.P.; Huss, A. Jr.; McHale, W.D.; Partridge, R.D.

1989-06-13T23:59:59.000Z

207

Hydrogen Delivery  

NLE Websites -- All DOE Office Websites (Extended Search)

Mark Paster Energy Efficiency and Renewable Energy Hydrogen, Fuel Cells and Infrastructure Technology Program Hydrogen Production and Delivery Team Hydrogen Delivery Goal Hydrogen Delivery Goal Liquid H 2 & Chem. Carriers Gaseous Pipeline Truck Hydrides Liquid H 2 - Truck - Rail Other Carriers Onsite reforming Develop Develop hydrogen fuel hydrogen fuel delivery delivery technologies that technologies that enable the introduction and enable the introduction and long long - - term viability of term viability of hydrogen as an energy hydrogen as an energy carrier for transportation carrier for transportation and stationary power. and stationary power. Delivery Options * End Game - Pipelines - Other as needed * Breakthrough Hydrogen Carriers * Truck: HP Gas & Liquid Hydrogen

208

Catalytic dewaxing of middle distillates  

SciTech Connect

The fractionation and stripping equipment of a middle distillate catalytic dewaxing unit may be eliminated by integrating the catalytic dewaxing unit with a catalytic cracking unit. The light cycle oil sidestream from the cat cracker fractionator, bypasses the sidestream stripper and serves as the feed to the catalytic dewaxing unit. The dewaxed product is separated into a gasoline fraction which is recycled for fractionation in the cat cracker fractionator and a fuel oil fraction which is recycled to the cat cracker sidestream stripper for removal of light materials to produce a low pour fuel oil meeting product specifications.

Antal, M.J.

1982-06-01T23:59:59.000Z

209

Florida Hydrogen Initiative  

SciTech Connect

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

210

Novel Catalytic Membrane Reactors  

DOE Green Energy (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

211

Photo-electrolytic production of hydrogen  

SciTech Connect

Hydrogen and oxygen are produced from water in a process involving the photodissociation of molecular bromine with radiant energy at wavelengths within the visible light region and a subsequent electrolytic dissociation of hydrogen halides.

Meyerand, R.G. Jr.; Krascella, N.L.; McMahon, D.G.

1978-01-17T23:59:59.000Z

212

Ultra Low NOx Catalytic Combustion for IGCC Power Plants  

DOE Green Energy (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

213

Catalytic coal hydrogasification process  

SciTech Connect

In Exxon Research and Engineering Co.'s new approach, methane is produced by a thermoneutral process in which finely divided coal or other carbonaceous material is reacted with steam and hydrogen in the presence of an alkali-metal catalyst (1 to 50 wt percent based on carbonaceous material) in a fluidized bed at a temperature of 1200/sup 0/ to 1500/sup 0/F. The hydrogen and reactant steam concentrations are controlled so that the exothermic hydrogasification reactions provide sufficient heat for the endothermic steam reactions, reactant preheat, and reactor heat losses. The overhead gas from the gasifier is steam-reformed in the presence of an alkali-metal catalyst at a temperature of 1300/sup 0/ to 1700/sup 0/F. Acid constituents such as CO/sub 2/ and H/sub 2/S are removed from the reformed gas, which is then cryogenically separated into hydrogen, CO, and methane. The hydrogen is recycled to the hydrogasification zone and the CO used to fire the steam-reformer furnace. The high-purity methane from the cryogenic unit can be employed as a pipeline gas without further treatment.

Kalina, T.; Moore, R.E.

1974-11-12T23:59:59.000Z

214

Producing Clean Syngas via Catalytic Reforming for Fuels Production  

Science Conference Proceedings (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

215

Catalytic partial oxidation reforming of hydrocarbon fuels.  

DOE Green Energy (OSTI)

The polymer electrolyte fuel cell (PEFC) is the primary candidate as the power source for light-duty transportation systems. On-board conversion of fuels (reforming) to supply the required hydrogen has the potential to provide the driving range that is typical of today's automobiles. Petroleum-derived fuels, gasoline or some distillate similar to it, are attractive because of their existing production, distribution, and retailing infrastructure. The fuel may be either petroleum-derived or other alternative fuels such as methanol, ethanol, natural gas, etc. [1]. The ability to use a variety of fuels is also attractive for stationary distributed power generation [2], such as in buildings, or for portable power in remote locations. Argonne National Laboratory has developed a catalytic reactor based on partial oxidation reforming that is suitable for use in light-duty vehicles powered by fuel cells. The reactor has shown the ability to convert a wide variety of fuels to a hydrogen-rich gas at less than 800 C, temperatures that are several hundreds of degrees lower than alternative noncatalytic processes. The fuel may be methanol, ethanol, natural gas, or petroleum-derived fuels that are blends of various hydrocarbons such as paraffins, olefins, aromatics, etc., as in gasoline. This paper will discuss the results obtained from a bench-scale (3-kWe) reactor., where the reforming of gasoline and natural gas generated a product gas that contained 38% and 42% hydrogen on a dry basis at the reformer exit, respectively.

Ahmed, S.

1998-09-21T23:59:59.000Z

216

Purdue Hydrogen Systems Laboratory  

DOE Green Energy (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

217

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

E-Print Network (OSTI)

Ion mobility-mass spectrometry (IM-MS), gas-phase hydrogen/deuterium (H/D) exchange ion molecule reactions and molecular modeling provide complimentary information and are used here for the characterization of peptide ion structure, including fine structure detail (i.e., cation-? interactions, ?-turns, and charge solvation interactions). IM-MS experiments performed on tyrosine containing tripeptides show that the collision cross-sections of sodiated, potassiated and doubly sodiated species of gly-gly-tyr are smaller than that of the protonated species, while the cesiated and doubly cesiated species are larger. Conversely, all of the alkali-adducted species of try-gly-gly have collision cross-sections that are larger than that of the protonated species. The protonated and alkali metal ion adducted (Na+, K+ and Cs+) species of bradykinin and bradykinin fragments 1-5, 1-6, 1-7, 1-8, 2-7, 5-9 and 2-9 were also studied using IM-MS and the alkali metal ion adducts of these species were found to have cross-sections very close to those of the protonated species. Additionally, multiple peak features observed in the ATDs of protonated bradykinin fragments 1-5, 1-6 and 1-7 are conserved upon alkali metal ion adduction. It was observed from gas-phase H/D ion molecule reactions that alkali adducted species exchange slower and to a lesser extent than protonated species in the tyrosine- and arginine-containing peptides. Experimental and computational results are discussed in terms of peptide ion structure, specifically the intra-molecular interactions present how those interactions change upon alkali salt adduction, as well as with the sequence of the peptide. Additionally, IM-MS data suggests the presence of a compact conformation of bradykinin fragment 1-5 (RPPGF) when starting from organic solvent conditions. As water is added stepwise to methanolic solutions, a more extended conformation is populated. When the starting solution is composed of ?90% water, two distinct mobility profiles are observed as well as a shoulder, indicating the presence of three gas-phase conformations for RPPGF. Gas-phase H/D exchange of [M+H]+ ions prepared from aqueous solvents show a bi-exponential decay, whereas samples prepared from organic solvents show a single exponential decay. The effect of solvent on gas-phase peptide ion structure, i.e., solution-phase memory effects, is discussed and gas-phase structures are compared to know solution-phase structures.

Sawyer, Holly Ann

2004-12-01T23:59:59.000Z

218

Hydrogen Highways  

E-Print Network (OSTI)

Joan Ogden, The Hope for Hydrogen, Issues in Science andand James S. Cannon. The Hydrogen Energy Transition: MovingHydrogen Highways BY TIMOTHY LIPMAN H 2 T H E S TAT E O F C

Lipman, Timothy

2005-01-01T23:59:59.000Z

219

Catalytic Conversion of Bioethanol to Hydrocarbons  

ORNL 2011-G00219/jcn UT-B ID 201002414 08.2011 Catalytic Conversion of Bioethanol to Hydrocarbons Technology Summary A method for catalytically converting an alcohol ...

220

Catalytic Conversion of Bioethanol to Hydrocarbons  

ORNL 2011-G00219/jcn UT-B ID 201002414 08.2011 Catalytic Conversion of Bioethanol to Hydrocarbons Technology Summary A method for catalytically ...

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

Catalytic multi-stage process for hydroconversion and refining hydrocarbon feeds  

DOE Green Energy (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

222

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.

Galloway, Terry R. (Berkeley, CA)

1982-01-01T23:59:59.000Z

223

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

224

Hydrogen Production  

Office of Scientific and Technical Information (OSTI)

Hydrogen Production Hydrogen Research in DOE Databases Energy Citations Database Information Bridge Science.gov WorldWideScience.org Increase your H2IQ More information Making...

225

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

226

Molecular surface science of heterogeneous catalysis. History and perspective  

DOE Green Energy (OSTI)

A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH/sub 3/ synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures. (DLC)

Somorjai, G.A.

1983-08-01T23:59:59.000Z

227

Hydrogen Storage Technologies Hydrogen Delivery  

E-Print Network (OSTI)

Hydrogen Storage Technologies Roadmap Hydrogen Delivery Technical Team Roadmap June 2013 #12;This.................................................................................. 13 6. Hydrogen Storage and Innovation for Vehicle efficiency and Energy sustainability) is a voluntary, nonbinding, and nonlegal

228

Geothermal hydrogen sulfide removal  

DOE Green Energy (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

229

Method for producing low-cost, high volume hydrogen from hydrocarbon sources  

DOE Patents (OSTI)

A method is described for the conversion of naturally-occurring or biomass-derived lower to higher hydrocarbon (C{sub x}H{sub y},where x may vary from 1--3 and y may vary from 4--8) to low-cost, high-volume hydrogen. In one embodiment, methane, the major component of natural gas, is reacted in a single reaction zone of a mixed-conducting ceramic membrane reactor to form hydrogen via simultaneous partial oxidation and water gas shift reactions at temperatures required for thermal excitations of the mixed-conducting membranes. The hydrogen is produced by catalytically reacting the hydrocarbon with oxygen to form synthesis gas (a mixture of carbon monoxide and hydrogen), followed by a water gas shift (WGS) reaction with steam, wherein both reactions occur in a single reaction zone having a multi-functional catalyst or a combination of catalysts. The hydrogen is separated from other reaction products by membrane-assisted transport or by pressure-swing adsorption technique. Membrane-assisted transport may occur via proton transfer or molecular sieving mechanisms.

Bose, Arun C.; Balachandran, Uthamalinga; Kleerfisch, Mark S.; Udovich, Carl A.; Stiegel, Gary J.

1997-12-01T23:59:59.000Z

230

Status Production Energy Efficiency % 72 70 Storage, Compression, Dispensing Efficiency Total Hydrogen Costs Hydrogen Production Costs  

E-Print Network (OSTI)

By 2012, develop and demonstrate distributed reforming technology for producing hydrogen from bio-oil at $3.80/kilogram (kg) purified hydrogen. By 2011, develop a prototype that incorporates the key operations: bio-oil injection, catalytic autothermal reforming, water-gas shift, and hydrogen isolation. Develop the necessary understanding of process chemistry, bio-oil compositional effects, catalyst chemistry, and deactivation and regeneration strategy to form a basis for process definition for automated distributed reforming to meet the DOE targets. In Fiscal Year (FY) 2010, demonstrate the process of auto-thermal reforming of bio-oil including a longterm catalyst performance, yields of hydrogen, and mass balances. Using a bench-scale reactor system, demonstrate catalytic conversion consistent with $3.80/kg hydrogen.

Richard French; Michael Penev; Rick Farmer

2010-01-01T23:59:59.000Z

231

NETL: Releases & Briefs - Producing hydrogen from water, without  

NLE Websites -- All DOE Office Websites (Extended Search)

Producing Hydrogen from Water, without Electrolysis Producing Hydrogen from Water, without Electrolysis Electrochemical potential difference drives the reaction Electrochemical potential difference drives the reaction Researchers at DOE's National Energy Technology Laboratory and Argonne National Laboratory have patented a "Method of Generating Hydrogen by Catalytic Decomposition of Water." The invention potentially leapfrogs current capital and energy intensive processes that produce hydrogen from fossil fuels or through the electrolysis of water. According to co-inventor Arun Bose, "Hydrogen can be produced by electrolysis, but the high voltage requirements are a commercial barrier. The invention provides a new route for producing hydrogen from water by using mixed proton-electron conducting membranes." Water is

232

Hydrogen & Fuel Cells - Hydrogen - Hydrogen Quality  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Quality Issues for Fuel Cell Vehicles Hydrogen Quality Issues for Fuel Cell Vehicles Introduction Developing and implementing fuel quality specifications for hydrogen are prerequisites to the widespread deployment of hydrogen-fueled fuel cell vehicles. Several organizations are addressing this fuel quality issue, including the International Standards Organization (ISO), the Society of Automotive Engineers (SAE), the California Fuel Cell Partnership (CaFCP), and the New Energy and Industrial Technology Development Organization (NEDO)/Japan Automobile Research Institute (JARI). All of their activities, however, have focused on the deleterious effects of specific contaminants on the automotive fuel cell or on-board hydrogen storage systems. While it is possible for the energy industry to provide extremely pure hydrogen, such hydrogen could entail excessive costs. The objective of our task is to develop a process whereby the hydrogen quality requirements may be determined based on life-cycle costs of the complete hydrogen fuel cell vehicle "system." To accomplish this objective, the influence of different contaminants and their concentrations in fuel hydrogen on the life-cycle costs of hydrogen production, purification, use in fuel cells, and hydrogen analysis and quality verification are being assessed.

233

Catalytic reforming optimization  

Science Conference Proceedings (OSTI)

The authors have previously examined correlations between catalytic reforming parameters for an L-35-6 unit at the Gor'knefteorgsintez Industrial Association. Experimental design was used to derive polynomial equations describing the correlations for each reactor. Further research on optimizing the reforming has been based on these results. They adopted the following strategy to define the best working parameters: they define a temperature that would provide the maximum target-product yield while maintaining a given working life. Most of the aromatic hydrocarbons are formed by the naphthene dehydrogenation, which is endothermic, so the greater the temperature drop over the height, the more rapid the process. The temperature difference thus indicates the current catalyst activity. To increase the target-product yield, one must raise the inlet temperature and ensure the largest drop across the catalyst. They examined an algorithm with fixed inlet conditions as regards flow rate and raw material composition. This algorithm provides the basis of software for the automatic control of the L-35-6 reactor unit at the Gor'knefteorgsintez Industrial Association. The system has been checked out and put into experimental operation.

Mazina, S.G.; Rybtsov, V.V.; Priss-Titarenko, T.A.

1988-11-10T23:59:59.000Z

234

Puerto Rico Refinery Catalytic Reforming Downstream Charge ...  

U.S. Energy Information Administration (EIA)

Puerto Rico Refinery Catalytic Reforming Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

235

Mississippi Refinery Catalytic Reforming Downstream Charge ...  

U.S. Energy Information Administration (EIA)

Mississippi Refinery Catalytic Reforming Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

236

Louisiana Refinery Catalytic Reforming Downstream Charge Capacity ...  

U.S. Energy Information Administration (EIA)

Louisiana Refinery Catalytic Reforming Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

237

Oxidation of hydrogen halides to elemental halogens  

DOE Patents (OSTI)

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

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

1985-01-01T23:59:59.000Z

238

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

239

Fast and efficient molecular electrocatalysts for H2 production: Using hydrogenase enzymes as guides  

SciTech Connect

Hydrogen generation using solar energy will require the development of efficient electrocatalysts for proton reduction. This article discusses the important role that proton movement plays in hydrogenase enzymes and potentials devices for solar generation. Studies of hydrogenase enzymes provide many import design principles for the development of simpler molecular catalysts. These principles are illustrated with examples from the literature and from the authors laboratories. In particular, pendant bases incorporated in the second coordination sphere of catalytic molecules play a number of important roles that are crucial to efficient catalysis. These include acting as relays to move protons between the metal center and solution, promoting intra- and inter-molecular proton transfer reactions, coupling proton and electron transfer reactions, assisting heterolytic cleavage of hydrogen, and stabilizing critical reaction intermediates. The importance of controlling proton movement on the molecular scale underscores the importance of a similar degree of control in devices designed for the solar production of hydrogen or any fuel generation process involving multiple electrons and protons. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences.

Yang, Jenny Y.; Bullock, R. Morris; Rakowski DuBois, Mary; DuBois, Daniel L.

2011-01-15T23:59:59.000Z

240

Spectroscopic studies of hydrogen collisions  

DOE Green Energy (OSTI)

Low energy collisions involving neutral excited states of hydrogen are being studied with vacuum ultraviolet spectroscopy. Atomic hydrogen is generated by focusing an energetic pulse of ArF, KrF, or YAG laser light into a cell of molecular hydrogen, where a plasma is created near the focal point. The H{sub 2} molecules in and near this region are dissociated, and the cooling atomic hydrogen gas is examined with laser and dispersive optical spectroscopy. In related experiments, we are also investigating neutral H + O and H + metal {minus} atom collisions in these laser-generated plasmas.

Kielkopf, J.

1991-12-10T23:59:59.000Z

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.


241

Hydrogen & Fuel Cells - Hydrogen - Hydrogen Production  

NLE Websites -- All DOE Office Websites (Extended Search)

Center Working With Argonne Contact TTRDC Thermochemical Cycles for Hydrogen Production Argonne researchers are studying thermochemical cycles to determine their potential...

242

Reactivity of Transition Metals (Pd, Pt, Cu, Ag, Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad  

DOE Green Energy (OSTI)

The reactivity of Pd{sub 4}, Pt{sub 4}, Cu{sub 4}, Ag{sub 4}, and Au{sub 4} clusters supported on TiC(001) toward molecular hydrogen dissociation has been studied by means of density functional based theory and periodic models and compared to that of the (111) and (001) surfaces. Pd{sub 4} and Pt{sub 4} interact rather strongly with the TiC(001) substrate, but the interaction of molecular hydrogen with the Pd{sub 4}/TiC and Pt{sub 4}/TiC systems is also very strong. As a consequence of the substantial admetal {leftrightarrow} carbide interactions, the adsorbed H{sub 2} molecule becomes more difficult to dissociate than on the corresponding extended (111) and (001) surfaces. Here, having a small supported particle does not lead to an enhanced chemical activity. On the contrary, for the Cu{sub 4}/TiC, Ag{sub 4}/TiC, and Au{sub 4}/TiC systems the combination of the small size of the particle and the polarization induced by the underlying carbide facilitates the dissociation of the hydrogen molecule with respect to the case of the extended surfaces. Here, the reduced size effectively enhances the activity of the supported particle. Thus, our results for the M(111), M(100), and M{sub 4}/TiC(001) systems show the complex interplay that can take place among the nature of the admetal, particle size effects, and support interactions.

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

2011-05-11T23:59:59.000Z

243

Reactivity of Transition Metals (Pd Pt Cu Ag Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad  

DOE Green Energy (OSTI)

The reactivity of Pd{sub 4}, Pt{sub 4}, Cu{sub 4}, Ag{sub 4}, and Au{sub 4} clusters supported on TiC(001) toward molecular hydrogen dissociation has been studied by means of density functional based theory and periodic models and compared to that of the (111) and (001) surfaces. Pd{sub 4} and Pt{sub 4} interact rather strongly with the TiC(001) substrate, but the interaction of molecular hydrogen with the Pd{sub 4}/TiC and Pt{sub 4}/TiC systems is also very strong. As a consequence of the substantial admetal {leftrightarrow} carbide interactions, the adsorbed H{sub 2} molecule becomes more difficult to dissociate than on the corresponding extended (111) and (001) surfaces. Here, having a small supported particle does not lead to an enhanced chemical activity. On the contrary, for the Cu{sub 4}/TiC, Ag{sub 4}/TiC, and Au{sub 4}/TiC systems the combination of the small size of the particle and the polarization induced by the underlying carbide facilitates the dissociation of the hydrogen molecule with respect to the case of the extended surfaces. Here, the reduced size effectively enhances the activity of the supported particle. Thus, our results for the M(111), M(100), and M{sub 4}/TiC(001) systems show the complex interplay that can take place among the nature of the admetal, particle size effects, and support interactions.

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

2011-06-16T23:59:59.000Z

244

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

245

Hydrogen Fuel  

Energy.gov (U.S. Department of Energy (DOE))

Hydrogen is a clean fuel that, when consumed, produces only water. Hydrogen can be produced from a variety of domestic sources, such as coal, natural gas, nuclear power, and renewable power. These...

246

Hydrogen Radialysis  

INL scientists have invented a process of forming chemical compositions, such as a hydrides which can provide a source of hydrogen. The process exposes the chemical composition decaying radio-nuclides which provide the energy to with a hydrogen source ...

247

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.

248

Hydrogen wishes  

Science Conference Proceedings (OSTI)

Hydrogen Wishes, presented at MIT's Center for Advanced Visual Studies, explores the themes of wishes and peace. It dramatizes the intimacy and power of transforming one's breath and vocalized wishes into a floating sphere, a bubble charged with hydrogen. ...

Winslow Burleson; Paul Nemirovsky; Dan Overholt

2003-07-01T23:59:59.000Z

249

Catalytic destruction of groundwater contaminants in reactive extraction wells  

DOE Green Energy (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

250

Hydrogen from Biomass Catalytic Reforming of Pyrolysis Vapors  

E-Print Network (OSTI)

surging, the use of biomass and www.elsevier.com/locate/jaap J. Anal. Appl. Pyrolysis xxx (2006) xxx of the virgin biomass and the development of the microstructure of the char. Structural changes during pyrolysis. Leppamaki, P. Koponen, J. Lavander, E. Tapola, Physical characterization of biomass-based pyrolysis liquids

251

Hydrogen Production  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Production DELIVERY FUEL CELLS STORAGE PRODUCTION TECHNOLOGY VALIDATION CODES & STANDARDS SYSTEMS INTEGRATION ANALYSES SAFETY EDUCATION RESEARCH & DEVELOPMENT Economy...

252

Hydrogen Storage  

Science Conference Proceedings (OSTI)

Oct 10, 2012 ... Energy Storage: Materials, Systems and Applications: Hydrogen Storage Program Organizers: Zhenguo "Gary" Yang, Pacific Northwest...

253

Hydrogen Storage  

Science Conference Proceedings (OSTI)

Applied Neutron Scattering in Engineering and Materials Science Research: Hydrogen Storage Sponsored by: Metallurgical Society of the Canadian Institute of...

254

Adsorbate structures and catalytic reactions studied in the torrpressure range by scanning tunneling microscopy  

DOE Green Energy (OSTI)

High-pressure, high-temperature scanning tunneling microscopy (HPHTSTM) was used to study adsorbate structures and reactions on single crystal model catalytic systems. Studies of the automobile catalytic converter reaction [CO + NO {yields} 1/2 N{sub 2} + CO{sub 2}] on Rh(111) and ethylene hydrogenation [C{sub 2}H{sub 4} + H{sub 2} {yields} C{sub 2}H{sub 6}] on Rh(111) and Pt(111) elucidated information on adsorbate structures in equilibrium with high-pressure gas and the relationship of atomic and molecular mobility to chemistry. STM studies of NO on Rh(111) showed that adsorbed NO forms two high-pressure structures, with the phase transformation from the (2 x 2) structure to the (3 x 3) structure occurring at 0.03 Torr. The (3 x 3) structure only exists when the surface is in equilibrium with the gas phase. The heat of adsorption of this new structure was determined by measuring the pressures and temperatures at which both (2 x 2) and (3 x 3) structures coexisted. The energy barrier between the two structures was calculated by observing the time necessary for the phase transformation to take place. High-pressure STM studies of the coadsorption of CO and NO on Rh(111) showed that CO and NO form a mixed (2 x 2) structure at low NO partial pressures. By comparing surface and gas compositions, the adsorption energy difference between topsite CO and NO was calculated. Occasionally there is exchange between top-site CO and NO, for which we have described a mechanism for. At high NO partial pressures, NO segregates into islands, where the phase transformation to the (3 x 3) structure occurs. The reaction of CO and NO on Rh(111) was monitored by mass spectrometry (MS) and HPHTSTM. From MS studies the apparent activation energy of the catalytic converter reaction was calculated and compared to theory. STM showed that under high-temperature reaction conditions, surface metal atoms become mobile. Ethylene hydrogenation and its poisoning by CO was also studied by STM on Rh(111) and Pt(111). Poisoning was found to coincide with decreased adsorbate mobility. Under ethylene hydrogenation conditions, no order is detected by STM at 300 K, as hydrogen and ethylidyne, the surface species formed by gas-phase ethylene, are too mobile. When CO is introduced, the reaction stops, and ordered structures appear on the surface. For Rh(111), the structure is predominantly a mixed c(4 x 2), though there are some areas of (2 x 2). For Pt(111), the structure is hexagonal and resembles the Moire pattern seen when Pt(111) is exposed to pure CO. From these studies it is concluded that CO poisons by stopping adsorbate mobility. This lack of adsorbate mobility prevents the adsorption of ethylene from the gas phase by hindering the creation of adsorption sites.

Hwang, Kevin Shao-Lin

2003-05-23T23:59:59.000Z

255

Imaging the proton concentration and mapping the spatial distribution of the electric field of catalytic micropumps  

E-Print Network (OSTI)

Catalytic engines can use hydrogen peroxide as a chemical fuel in order to drive motion at the microscale. The chemo-mechanical actuation is a complex mechanism based on the interrelation between catalytic reactions and electro-hydrodynamics phenomena. We studied catalytic micropumps using fluorescence confocal microscopy to image the concentration of protons in the liquid. In addition, we measured the motion of particles with different charges in order to map the spatial distributions of the electric field, the electrostatic potential and the fluid flow. The combination of these two techniques allows us to contrast the gradient of the concentration of protons against the spatial variation in the electric field. We present numerical simulations that reproduce the experimental results. Our work sheds light on the interrelation between the different processes at work in the chemo-mechanical actuation of catalytic pumps. Our experimental approach could be used to study other electrochemical systems with heterogeneous electrodes.

A. Afshar Farniya; M. J. Esplandiu; D. Reguera; A. Bachtold

2013-11-13T23:59:59.000Z

256

WHEC 16 / 13-16 June 2006 Lyon France Plasma assisted fuel reforming for on-board hydrogen rich gas production  

E-Print Network (OSTI)

through hydrogen on-board storage. The main reforming technology is catalytic reforming, which has been points are challenges for automotive applications. In parallel with research on catalytic reforming assisted reforming could be used complementary to catalytic reforming to ensure dynamics performance (start

Paris-Sud XI, Université de

257

First commercial test is success for catalytic hydrogen sulfide oxidation process. [LO-CAT catalytic hydrogen sulfide oxidation processes  

SciTech Connect

A description is given of the characteristics of the process and the bases for selecting the LO-CAT process for sulfur recovery from refinery process off-gas streams. In addition, the details of the application and the experience gained during the startup at the Tacoma, Washington refinery are described. The LO-CAT uses a nontoxic catalyst solution and a relatively simple processing scheme which employs sulfur sinking for the separation of sulfur from the circulating sulfur slurry. In addition, the LO-CAT process promised very high sulfur recovery efficiency, 99.85% minimum, and essentially an infinite turndown ratio. A discussion is presented of the major problems experienced in the operation of the LO-CAT sulfur recovery unit which have been: sulfur floating, catalyst solution foaming, corrosion, erosion, plugging, and biological growth. Each of these problems has surfaced repeatedly in the operation of the plant. Operating guidelines are provided. 2 refs.

Cabodi, A.J.; Van, H.R.; Hardison, L.C.

1982-07-05T23:59:59.000Z

258

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

259

Metallic hydrogen research  

DOE Green Energy (OSTI)

Theoretical studies predict that molecular hydrogen can be converted to the metallic phase at very high density and pressure. These conditions were achieved by subjecting liquid hydrogen to isentropic compression in a magnetic-flux compression device. Hydrogen became electrically conducting at a density of about 1.06 g/cm/sup 3/ and a calculated pressure of about 2 Mbar. In the experimental device, a cylindrical liner, on implosion by high explosive, compresses a magnetic flux which in turn isentropically compresses a hydrogen sample; coaxial conical anvils prevent escape of the sample during compression. One anvil contains a coaxial cable that uses alumina ceramic as an insulator; this probe allows continuous measurement of the electrical conductivity of the hydrogen. A flash x-ray radiograph exposed during the experiment records the location of the sample-tube boundaries and permits calculation of the sample density. The theoretical underpinnings of the metallic transition of hydrogen are briefly summarized, and the experimental apparatus and technique, analytical methods, and results are described. 9 figures.

Burgess, T.J.; Hawke, R.S.

1978-11-16T23:59:59.000Z

260

Catalytic reforming of liquid fuels: Deactivation of catalysts  

Science Conference Proceedings (OSTI)

The catalytic reforming of logistic fuels (e.g., diesel) to provide hydrogen-rich gas for various fuel cells is inevitably accompanied by deactivation. This deactivation can be caused by various mechanisms, such as carbon deposition, sintering, and sulfur poisoning. In general, these mechanisms are, not independente.g., carbon deposition may affect sulfur poisoning. However, they are typically studied in separate experiments, with relatively little work reported on their interaction at conditions typical of liquid fuel reforming. Recent work at the U.S. Dept. of Energy/NETL and Louisiana State University has shown progress in understanding the interaction of these deactivation processes, and catalysts designed to minimize them.

Spivey, J.J.; Haynes, D.J.; Berry, D.A.; Shekhawat, Dushyant; Gardner, T.H.

2007-10-01T23:59:59.000Z

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.


261

Superconducting Cuprates on Catalytic Substrates - Energy ...  

Electricity Transmission Superconducting Cuprates on Catalytic Substrates Brookhaven National Laboratory. Contact BNL About This Technology Technology Marketing ...

262

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

263

Ultrafast 2D IR anisotropy of water reveals reorientation during hydrogen-bond switching  

E-Print Network (OSTI)

Rearrangements of the hydrogen bond network of liquid water are believed to involve rapid and concerted hydrogen bond switching events, during which a hydrogen bond donor molecule undergoes large angle molecular reorientation ...

Ramasesha, Krupa

264

Catalytic two-stage coal liquefaction process having improved nitrogen removal  

SciTech Connect

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

265

Hydrogen, Fuel Cells, and Infrastructure Technologies FY 2003 Progress Report I. Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .I-1  

E-Print Network (OSTI)

the effect of steam addition to a catalytic reformer operating on biomass. It was found that adding steam of derivative chromatographic analysis. In 1998, Rustamov et al., (Azerbaijan) studied the thermo-catalytic reforming of cellulose and wood pulp using concentrated solar energy. The possibility of obtaining hydrogen

266

Nonconservation of Ertel Potential Vorticity in Hydrogen Atmospheres  

Science Conference Proceedings (OSTI)

The compositions of the atmospheres of the outer planets are dominated by molecular hydrogen. The hydrogen ortho and para forms (proton spins parallel and antiparallel) are observed to have ratios that are not in thermodynamic equilibrium, with ...

Peter J. Gierasch; Barney J. Conrath; Peter L. Read

2004-08-01T23:59:59.000Z

267

Renewable hydrogen production for fossil fuel processing  

DOE Green Energy (OSTI)

The objective of this mission-oriented research program is the production of renewable hydrogen for fossil fuel processing. This program will build upon promising results that have been obtained in the Chemical Technology Division of Oak Ridge National Laboratory on the utilization of intact microalgae for photosynthetic water splitting. In this process, specially adapted algae are used to perform the light-activated cleavage of water into its elemental constituents, molecular hydrogen and oxygen. The great potential of hydrogen production by microalgal water splitting is predicated on quantitative measurement of their hydrogen-producing capability. These are: (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 original development of an evacuated photobiological reactor for real-world engineering applications; (6) the potential for using modern methods of molecular biology and genetic engineering to maximize hydrogen production. The significance of each of these points in the context of a practical system for hydrogen production is discussed. This program will be enhanced by collaborative research between Oak Ridge National Laboratory and senior faculty members at Duke University, the University of Chicago, and Iowa State University. The special contribution that these organizations and faculty members will make is access to strains and mutants of unicellular algae that will potentially have useful properties for hydrogen production by microalgal water splitting.

Greenbaum, E.

1994-09-01T23:59:59.000Z

268

Application of hydrogenation to low-temperature cleaning of the Si(001) surface in the processes of molecular-beam epitaxy: Investigation by scanning tunneling microscopy, reflected high-energy electron diffraction, and high resolution transmission electron microscopy  

Science Conference Proceedings (OSTI)

Structural properties of the clean Si(001) surface obtained as a result of low-temperature (470-650 Degree-Sign C) pre-growth annealings of silicon wafers in a molecular-beam epitaxy chamber have been investigated. To decrease the cleaning temperature, a silicon surface was hydrogenated in the process of a preliminary chemical treatment in HF and NH{sub 4}F aqueous solutions. It has been shown that smooth surfaces composed of wide terraces separated by monoatomic steps can be obtained by dehydrogenation at the temperatures Greater-Than-Or-Equivalent-To 600 Degree-Sign C, whereas clean surfaces obtained at the temperatures clean surfaces on the temperature of hydrogen thermal desorption and the process of the preliminary chemical treatment. The frequency of detachment/attachment of Si dimers from/to the steps and effect of the Ehrlich-Schwoebel barrier on ad-dimer migration across steps have been found to be the most probable factors determining a degree of the resultant surface roughness.

Arapkina, L. V.; Krylova, L. A.; Chizh, K. V.; Chapnin, V. A.; Uvarov, O. V.; Yuryev, V. A. [A. M. Prokhorov General Physics Institute of the Russian Academy of Sciences, 38 Vavilov Street, Moscow 119991 (Russian Federation)

2012-07-01T23:59:59.000Z

269

MOLECULAR COMPOSITION OF NEEDLE COKE FEEDSTOCKS AND MESOPHASE DEVELOPMENT DURING CARBONIZATION.  

E-Print Network (OSTI)

??This study investigates the molecular composition of fluid catalytic cracking (FCC) decant oil and its derivatives that are used as feedstocks for delayed coking to (more)

Wang, Guohua

2005-01-01T23:59:59.000Z

270

Hydrogen Safety  

Science Conference Proceedings (OSTI)

... ASHRAE 62.1, 7 air changes per hour, 100 ... I, Division II, Group B: testing and research laboratory; ... Planning Guidance for Hydrogen Projects as a ...

2012-10-09T23:59:59.000Z

271

Catalytic Device International LLC | Open Energy Information  

Open Energy Info (EERE)

Catalytic Device International LLC Catalytic Device International LLC Jump to: navigation, search Name Catalytic Device International LLC Place Pleasanton, California Product California-based, firm focused on portable, heat-on-demand products. References Catalytic Device International LLC[1] LinkedIn Connections CrunchBase Profile No CrunchBase profile. Create one now! This article is a stub. You can help OpenEI by expanding it. Catalytic Device International LLC is a company located in Pleasanton, California . References ↑ "Catalytic Device International LLC" Retrieved from "http://en.openei.org/w/index.php?title=Catalytic_Device_International_LLC&oldid=343285" Categories: Clean Energy Organizations Companies Organizations Stubs What links here Related changes Special pages

272

Energy Basics: Hydrogen Fuel  

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

Energy Basics Renewable Energy Printable Version Share this resource Biomass Geothermal Hydrogen Hydrogen Fuel Fuel Cells Hydropower Ocean Solar Wind Hydrogen Fuel Hydrogen...

273

Hydrogen | Open Energy Information  

Open Energy Info (EERE)

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

274

Hydrogen gas getters: Susceptibility to poisoning  

DOE Green Energy (OSTI)

About 40% ({approximately}9,000) of the {approximately}23,000 transuranic (TRU) waste drums at Los Alamos National Laboratory (LANL) are presently unshippable because conservative calculations suggest that the hydrogen concentration may exceed the lower explosive limit for hydrogen. This situation extends across nearly all DOE sites holding and generating TRU waste. The incorporation of a hydrogen getter such as DEB into the waste drums (or the TRUPACT II shipping containers) could substantially mitigate the explosion risk. The result would be to increase the number of drums that qualify for transportation to the Waste Isolation Pilot Plant (WIPP) without having to resort to expensive re-packaging or waste treatment technologies. However, before this approach can be implemented, key technical questions must be answered. Foremost among these is the question of whether the presence of other chemical vapors and gases in the drum might poison the catalytic reaction between hydrogen and DEB. This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of this project was to obtain fundamental information on the chemical mechanism of the catalytic reaction of hydrogen with one commonly used hydrogen getter, DEB. Experiments with these materials showed that the method of exposure affects the nature of the reaction products. The results of this work contributed to the development of a mechanistic model of the reaction.

Mroz, E.J.; Dye, R.C.; Duke, J.R. [Los Alamos National Lab., NM (United States); Weinrach, J. [Benchmark Environmental Inc. (United States)

1998-12-31T23:59:59.000Z

275

Endothermic photo-catalytic reactions  

Science Conference Proceedings (OSTI)

The overall objective of this report is to present the results of an investigation to provide guidelines for future experimental work, on solar energy driven endothermic photo-catalytic reactions, and primarily to select candidate synthesis reactions which lead to high $-value products. An intensive literature search was conducted to find properties, market demand, and prices of pertinent chemicals; meeting four criteria: (1) the reaction must be endothermic and favorable; (2) the reaction must be catalytic; (3) the product must be produced from low cost feedstocks; and (4) the product must have a sales price >$1.00/lb. Initial examination of low cost feedstocks to high value products lead to consideration of n-paraffins to aromatics and substituted aromatics. Fifteen candidate endothermic synthesis reactions, meeting the above criteria, are suggested. The ratio of product price by reactant cost indicates {approximately}5--8 for the best possibilities; all can be visualized as starting with low cost paraffin and methanol feedstocks.

Prengle, H.W. Jr.; Wentworth, W.E.; Polonczyk, K.C.; Saghafi, M.; Wilking, J.A.; Kramer, K.S. (Houston Univ., TX (United States))

1992-04-01T23:59:59.000Z

276

Hot Hydrogen Test Facility  

DOE Green Energy (OSTI)

The core in a nuclear thermal rocket will operate at high temperatures and in hydrogen. One of the important parameters in evaluating the performance of a nuclear thermal rocket is specific impulse, ISp. This quantity is proportional to the square root of the propellants absolute temperature and inversely proportional to square root of its molecular weight. Therefore, high temperature hydrogen is a favored propellant of nuclear thermal rocket designers. Previous work has shown that one of the life-limiting phenomena for thermal rocket nuclear cores is mass loss of fuel to flowing hydrogen at high temperatures. The hot hydrogen test facility located at the Idaho National Lab (INL) is designed to test suitability of different core materials in 2500C hydrogen flowing at 1500 liters per minute. The facility is intended to test non-uranium containing materials and therefore is particularly suited for testing potential cladding and coating materials. In this first installment the facility is described. Automated Data acquisition, flow and temperature control, vessel compatibility with various core geometries and overall capabilities are discussed.

W. David Swank

2007-02-01T23:59:59.000Z

277

Proton Delivery and Removal in [Ni(PR2NR?2)2]2+ Hydrogen Production and Oxidation Catalysts  

SciTech Connect

To examine the role of proton delivery and removal in the electrocatalytic oxidation and production of hydrogen by [Ni(PR2NR)2]2+ (where PR2NR2 is 1,5-R-3,7-R-1,5-diaza-3,7-diphosphacyclooctane), we report experimental and theoretical studies of the intermolecular proton exchange reactions underlying the isomerization of [Ni(PCy2NBn2H)2]2+ (Cy = cyclohexyl, Bn = benzyl) species formed during the stochiometric oxidation of H2 by [NiII(PCy2NBn2)2]2+ or the protonation of [Ni0(PCy2NBn2)2]. The three isomers formed differ by the position of the N-H bond with respect to the nickel (endo-endo, endo-exo, or exo-exo) and only the endo-endo isomer is catalytically active. We have found that the rate of isomerization is limited by proton removal from and delivery to the complex. In particular, steric hindrance disfavors the catalytically active protonation site (endo to the metal) in favor of inactive protonation (exo to the metal). The ramifications to catalysis of poor accessibility of the endo site and protonation at the exo site are discussed. In hydrogen oxidation, deprotonation of the sterically hindered endo position by an external base may lead to slow catalytic turnover. As for hydrogen production, the limited accessibility of the endo position can result in the formation of exo protonated species, which must undergo one or more isomerization steps to generate the catalytically active endo protonated species. These studies highlight the importance of precise proton delivery, and the mechanistic details described herein will guide future catalyst design. 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. WJS was funded by the DOE Office of Science Early Career Research Program through the Office of Basic Energy Sciences. 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 national scientific user facility sponsored by the Department of Energys 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).

O'Hagan, Molly J.; Ho, Ming-Hsun; Yang, Jenny Y.; Appel, Aaron M.; Rakowski DuBois, Mary; Raugei, Simone; Shaw, Wendy J.; DuBois, Daniel L.; Bullock, R. Morris

2012-11-28T23:59:59.000Z

278

Hydrogen production  

SciTech Connect

The production of hydrogen by reacting an ash containing material with water and at least one halogen selected from the group consisting of chlorine, bromine and iodine to form reaction products including carbon dioxide and a corresponding hydrogen halide is claimed. The hydrogen halide is decomposed to separately release the hydrogen and the halogen. The halogen is recovered for reaction with additional carbonaceous materials and water, and the hydrogen is recovered as a salable product. In a preferred embodiment the carbonaceous material, water and halogen are reacted at an elevated temperature. In accordance with another embodiment, a continuous method for the production of hydrogen is provided wherein the carbonaceous material, water and at least one selected halogen are reacted in one zone, and the hydrogen halide produced from the reaction is decomposed in a second zone, preferably by electrolytic decomposition, to release the hydrogen for recovery and the halogen for recycle to the first zone. There also is provided a method for recovering any halogen which reacts with or is retained in the ash constituents of the carbonaceous material.

Darnell, A.J.; Parkins, W.E.

1978-08-08T23:59:59.000Z

279

Hydrogen Bibliography  

DOE Green Energy (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

280

Multiple-stage catalytic reforming with gravity-flowing dissimilar catalyst particles  

Science Conference Proceedings (OSTI)

A multiple-stage catalytic conversion system in which a hydrocarbonaceous charge stock and hydrogen flow serially through a plurality of catalytic reaction zones in each of which the catalyst particles are movable via gravity flow. Dissimilar catalyst particles are utilized in the reactor systems which share a common regenerating tower through which the catalyst particles are downwardly movable via gravity flow and in which the catalyst particles are regenerated in segregated fashion. Dissimilarity of the catalyst particles stems from a difference in activity, stability and selectivity characteristics. In turn, this difference may be attributed either to physical, or chemical distinctions between the two composites, or both.

Sikonia, J. G.; Bennett, R. W.

1985-02-12T23:59:59.000Z

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

NREL: Hydrogen and Fuel Cells Research - Thermochemical Processes  

NLE Websites -- All DOE Office Websites (Extended Search)

Printable Version Printable Version Thermochemical Processes Photo of a researcher wearing a hardhat and examining a catalytic steam reformer. Catalytic steam reforming increases the overall yield of fuel gas from biomass. NREL's researchers have investigated the thermochemical conversion of renewable energy feedstocks since the lab's inception. Researchers are developing gasification and pyrolysis processes to convert biomass and its residues to hydrogen, fuels, chemicals, and power. Building on past successes, biomass is increasingly one of the best near-term options for renewable hydrogen production. Thermochemical Process R&D Research and development at NREL provides a fundamental understanding of the chemistry of biomass pyrolysis. This R&D includes stabilizing and

282

Direct catalytic conversion of methane and light hydrocarbon gases. Final report, October 1, 1986--July 31, 1989  

DOE Green Energy (OSTI)

This project explored conversion of methane to useful products by two techniques that do not involve oxidative coupling. The first approach was direct catalytic dehydrocoupling of methane to give hydrocarbons and hydrogen. The second approach was oxidation of methane to methanol by using heterogenized versions of catalysts that were developed as homogeneous models of cytochrome-P450, an enzyme that actively hydroxylates hydrocarbons by using molecular oxygen. Two possibilities exist for dehydrocoupling of methane to higher hydrocarbons: The first, oxidative coupling to ethane/ethylene and water, is the subject of intense current interest. Nonoxidative coupling to higher hydrocarbons and hydrogen is endothermic, but in the absence of coke formation the theoretical thermodynamic equilibrium yield of hydrocarbons varies from 25% at 827{degrees}C to 65% at 1100{degrees}C (at atmospheric pressure). In this project we synthesized novel, highly dispersed metal catalysts by attaching metal clusters to inorganic supports. The second approach mimics microbial metabolism of methane to produce methanol. The methane mono-oxygenase enzyme responsible for the oxidation of methane to methanol in biological systems has exceptional selectivity and very good rates. Enzyme mimics are systems that function as the enzymes do but overcome the problems of slow rates and poor stability. Most of that effort has focused on mimics of cytochrome P-450, which is a very active selective oxidation enzyme and has a metalloporphyrin at the active site. The interest in nonporphyrin mimics coincides with the interest in methane mono-oxygenase, whose active site has been identified as a {mu}-oxo dinuclear iron complex.We employed mimics of cytochrome P-450, heterogenized to provide additional stability. The oxidation of methane with molecular oxygen was investigated in a fixed-bed, down-flow reactor with various anchored metal phthalocyanines (PC) and porphyrins (TPP) as the catalysts.

Wilson, R.B. Jr.; Posin, B.M.; Chan, Yee-Wai

1995-06-01T23:59:59.000Z

283

Hydrogen storage materials and method of making by dry homogenation  

DOE Green Energy (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

284

Simulation of ethylbenzene dehydrogenation in microporous catalytic membrane reactors  

DOE Green Energy (OSTI)

Current state-of-the-art inorganic oxide membranes offer the potential of being modified to yield catalytic properties. The resulting modules may be configured to simultaneously induce catalytic reactions with product concentration and separation in a single processing step. Processes utilizing such catalytically active membrane reactors have the potential for dramatically increasing yield of reactions which are currently limited by either thermodynamic equilibria, product inhibition, or kinetic selectivity. Examples of systems of commercial interest include hydrogenation, dehydrogenation, partial and selective oxidation, hydrations, hydrocarbon cracking, olefin metathesis, hydroformylation, and olefin polymerization. A large portion of the most significant reactions fall into the category of high temperature, gas phase chemical and petrochemical processes. Microporous oxide membranes are well suited for these applications. A program is proposed to investigate selected model reactions of commercial interest (i.e., dehydrogenation of ethylbenzene to styrene and dehydrogenation of butane to butadiene) using a high temperature catalytic membrane reactor. Membranes will be developed, reaction dynamics characterized, and production processes developed, culminating in laboratory-scale demonstration of technical and economic feasibility. As a result of the anticipated increased yield per reactor pass, large economic incentives are envisioned. First, a large decrease in the temperature required to obtain high yield should be possible because of the reduced driving force requirement. Significantly higher conversion per pass implies a reduced recycle ratio, as well as reduced reactor size. Both factors result in reduced capital costs, as well as savings in cost reactants and energy. The controlled, defined reaction zone (the membrane interface), will facilitate the reactor design process and permit greater control of reactor dynamics.

Not Available

1989-04-01T23:59:59.000Z

285

DOE Hydrogen and Fuel Cells Program: 2007 Annual Progress Report - Hydrogen  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Storage Hydrogen Storage Printable Version 2007 Annual Progress Report IV. Hydrogen Storage This section of the 2007 Progress Report for the DOE Hydrogen Program focuses on hydrogen storage. Each technical report is available as an individual Adobe Acrobat PDF. Download Adobe Reader. Hydrogen Storage Sub-Program Overview, Sunita Satyapal, U.S. Department of Energy (PDF 729 KB) A. Metal Hydrides-Independent Projects Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity, Daniel A. Mosher, United Technologies Research Center (PDF 475 KB) Discovery of Novel Complex Metal Hydrides for Hydrogen Storage through Molecular Modeling and Combinatorial Methods, David A. Lesch, UOP LLC (PDF 529 KB) High Density Hydrogen Storage System Demonstration Using NaAlH4 Complex Compound Hydrides, Daniel A. Mosher, United Technologies Research

286

Method of improving catalytic activity and catalytics produced thereby  

DOE Patents (OSTI)

A process for dissociating H{sub 2}S in a gaseous feed using an improved catalytic material is disclosed in which the feed is contacted at a temperature of at least about 275C with a catalyst of rutile nanocrystalline titania having grain sizes in the range of from about 1 to about 100 manometers. Other transition metal catalysts are disclosed, each of nanocrystalline material with grain sizes in the 1--100 nm range. This invention may have application to vehicle emissions control (three-way catalysts).

Beck, D.D.; Siegel, R.W.

1993-09-23T23:59:59.000Z

287

Hydrogen & Fuel Cells - Hydrogen - Hydrogen Storage  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Storage Systems Modeling and Analysis Hydrogen Storage Systems Modeling and Analysis Several different approaches are being pursued to develop on-board hydrogen storage systems for light-duty vehicle applications. The different approaches have different characteristics, such as: the thermal energy and temperature of charge and discharge kinetics of the physical and chemical process steps involved requirements for the materials and energy interfaces between the storage system and the fuel supply system on one hand, and the fuel user on the other Other storage system design and operating parameters influence the projected system costs as well. Argonne researchers are developing thermodynamic, kinetic, and engineering models of the various hydrogen storage systems to understand the characteristics of storage systems based on these approaches and to evaluate their potential to meet the DOE targets for on-board applications. The DOE targets for 2015 include a system gravimetric capacity of 1.8 kWh/kg (5.5 wt%) and a system volumetric capacity of 1.3 kWh/L (40 g/L). We then use these models to identify significant component and performance issues, and evaluate alternative system configurations and design and operating parameters.

288

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

Science Conference Proceedings (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

289

Hydrogen: Helpful Links & Contacts  

Science Conference Proceedings (OSTI)

Helpful Links & Contacts. Helpful Links. Hydrogen Information, Website. ... Contacts for Commercial Hydrogen Measurement. ...

2013-07-31T23:59:59.000Z

290

Active Hydrogenation Catalyst with a Structured, Peptide-Based Outer-Coordination Sphere  

Science Conference Proceedings (OSTI)

The synthesis, catalytic activity, and structural features of a rhodium-based hydrogenation catalyst containing a phosphine ligand coupled to a 14-residue peptide are reported. Both CD and NMR spectroscopy show that the peptide adopts a helical structure in 1:1:1 TFE/MeCN/H2O that is maintained when the peptide is attached to the ligand and when the ligand is attached to the metal complex. The metal complex hydrogenates aqueous solutions of 3-butenol to 1-butanol at 360 50 turnovers/Rh/h at 294 K. This peptide- based catalyst represents a starting point for developing and characterizing a peptide-based outer-coordination sphere that can be used to introduce enzyme-like features into molecular catalysts. This work was funded by the US DOE Basic Energy Sciences, Chemical Sciences, Geoscience and Biosciences Division (AJ, JCL and WJS), the Office of Science Early Career Research Program through the Office of Basic Energy Sciences (GWB, MLR and WJS). Part of the research was conducted at the W.R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by U.S. Department of Energys Office of Biolog-ical and Environmental Research (BER) program located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy.

Jain, Avijita; Buchko, Garry W.; Reback, Matthew L.; O'Hagan, Molly J.; Ginovska-Pangovska, Bojana; Linehan, John C.; Shaw, Wendy J.

2012-10-05T23:59:59.000Z

291

Proceedings of the 1996 U.S. DOE hydrogen program review. Volume 1  

SciTech Connect

The 29 papers contained in Volume 1 are related to systems analysis and hydrogen production. Papers in the systems analysis section discuss utility markets, comparison of hydrogen with other alternative fuels, hydrogen vehicles, renewable hydrogen production, storage, and detection, and hydrogen storage systems development. Hydrogen production methods include the use of algae, photosynthesis, glucose dehydrogenase, syngas, photoelectrochemical reactions, photovoltaics, water electrolysis, solar photochemical reactions, pyrolysis, catalytic steam reforming, municipal solid wastes, thermocatalytic cracking of natural gas, and plasma reformers. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database.

1996-10-01T23:59:59.000Z

292

Catalytic steam gasification of carbon  

DOE Green Energy (OSTI)

Unsupported carbide powders with high specific surface area, namely {alpha}-WC (35 m{sup 2}/g, hexagonal), {beta}-WC{sub 0.61} (100 m{sup 2}/g, cubic face centered) and {beta}-WC{sub 0.5} (15 m{sup 2}/g, hexagonal) have been prepared. The key element in this preparation is the successful removal of surface polymeric carbon by careful gasification to methane by means of dihydrogen. These tungsten carbide powders have been used in catalytic reactions of oxidation of H{sub 2} and hydrogenolysis of alkanes, such as butane, hexane, and neopentane.

Boudart, M.

1990-12-31T23:59:59.000Z

293

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

294

An update on catalytic reforming  

Science Conference Proceedings (OSTI)

The UOP Platforming process is a catalytic reforming process in widespread use throughout the petroleum and petrochemical industries. Since the first unit went onstream in 1949, the process has become a standard feature in refineries worldwide. Over the years, significant improvements have been made in process catalysts and process design. The most recent improvement is the combination of a catalyst called R-72 with a new patented flow scheme, R-72 staged loading, which gives significantly higher yields and provides increased catalyst stability. In this article, the authors describe two types of Platforming processes and the new R-72 staged loading scheme.

Wei, D.H.; Moser, M.D.; Haizmann, R.S.

1996-10-01T23:59:59.000Z

295

Hydrogen ICE  

NLE Websites -- All DOE Office Websites (Extended Search)

Chevrolet Silverado 1500HD Hydrogen ICE 1 Conversion Vehicle Specifications Engine: 6.0 L V8 Fuel Capacity: 10.5 GGE Nominal Tank Pressure: 5,000 psi Seatbelt Positions: Five...

296

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

297

Catalytic Combustor for Fuel-Flexible Turbine  

NLE Websites -- All DOE Office Websites (Extended Search)

Catalytic Lean (RCL TM ) technology, Figure 1, is being developed as an ultra low NOx gas turbine combustor for Integrated Gasification Combined Cycle (IGCC). In this concept,...

298

Observation of Negative Ion Resonances in Amorphous Ice via Low-Energy (5{endash}40 eV) Electron-Stimulated Production of Molecular Hydrogen  

DOE Green Energy (OSTI)

The {ital D}{sub 2}({sup 1}{Sigma}{sup +}{sub {ital g}}, {ital v}=0{endash}2, {ital J}=0{endash}2) desorbates produced during low-energy (5{endash}40 eV) electron-beam irradiation of amorphous D{sub 2}O ice were monitored using resonance-enhanced laser ionization spectroscopy. We attribute the structure in the D{sub 2} yield as a function of the incident electron energy to core-excited negative ion resonances. These resonances, or the excited states produced after electron autodetachment, decay via molecular elimination to yield {ital D}{sub 2}({sup 1}{Sigma}{sup +}{sub {ital g}}) directly. D{sub 2} is observed with {ital v}=0 or 2 but not {ital v}=1, suggesting a symmetry propensity in the excitation or decay of the resonances. {copyright} {ital 1996 The American Physical Society.}

Kimmel, G.A.; Orlando, T.M. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)] [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

1996-11-01T23:59:59.000Z

299

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

DOE Green Energy (OSTI)

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

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

2009-10-01T23:59:59.000Z

300

Alcohols as hydrogen-donor solvents for treatment of coal  

DOE Patents (OSTI)

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

Ross, David S. (Palo Alto, CA); Blessing, James E. (Menlo Park, CA)

1981-01-01T23:59:59.000Z

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.


301

Pemex opts for catalytic dehydrogenation  

SciTech Connect

In the gas-rich areas such as the Middle East, Southeast Asia, Canada, and Mexico, low-cost ethane is the feed of choice for ethylene production. Coproduct production is minimal. Continued growth in demand for propylene, isobutylene, normal butone-1, and butadiene requires that alternate sources of these normally coproduct olefins be developed. Catalytic dehydrogenation, with its high selectivity to the desired olefin, is the logical and economic choice. Mexico is a case in point. It's ethylene production is based on ethane. Demand is rising for propylene and butadiene derivatives, and a potential demand exists for isobutylene to produce octane enhancers to implement an announced lead phase down. Only modest amounts of by-product monoolefin will be available from refining operations. Pemex, the Mexican refining and petrochemical giant, recognized this and started up its first Houdry Catadene /SUP TM/ plant in 1975 at Ciudad Madero to produce 55,000 metric ton/year of butadiene from normal butane. Pemex recently committed to a large (350,000 metric ton/year) propylene-from-propane plant at Morelos based on the Houdry Catofin /SUP TM/ catalytic dehydrogenation process. The plant will supply propylene to a long list of derivative plants (Table 1).

Craig, R.G.; Penny, S.J.; Schwartz, W.A.

1983-07-01T23:59:59.000Z

302

Syn-Gas Production from Catalytic Steam Gasification of Municipal Solid Wastes in a Combined Fixed Bed Reactor  

Science Conference Proceedings (OSTI)

The catalytic steam gasi?cation of municipal solid wastes (MSW) for syn-gas production was experimentally investigated in a combined fixed bed reactor using the newly developed tri-metallic catalyst. A series of experiments have been performed to explore ... Keywords: Biomass gasification, municipal solid wastes, catalyst, hydrogen production, energy recovery

Jianfen Li; Jianjun Liu; Shiyan Liao; Xiaorong Zhou; Rong Yan

2010-10-01T23:59:59.000Z

303

Measurements for Hydrogen Storage Materials  

Science Conference Proceedings (OSTI)

Measurements for Hydrogen Storage Materials. Summary: ... Hydrogen is promoted as petroleum replacement in the Hydrogen Economy. ...

2013-07-02T23:59:59.000Z

304

Basic Research for the Hydrogen Fuel Initiative  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Basic Research for the Hydrogen Fuel Initiative Basic Research for the Hydrogen Fuel Initiative Institution Project Title Category A: Novel Hydrogen Storage Materials Massachusetts Institute of Technology Theory and Modeling of Materials for Hydrogen Storage Washington University In Situ NMR Studies of Hydrogen Storage Systems University of Pennsylvania Chemical Hydrogen Storage in Ionic Liquid Media Colorado School of Mines Molecular Hydrogen Storage in Novel Binary Clathrate Hydrates at Near-Ambient Temperatures and Pressures Georgia Institute of Technology First-Principles Studies of Phase Stability and Reaction Dynamics in Complex Metal Hydrides Louisiana Tech University Understanding the Local Atomic-Level Effect of Dopants In Complex Metal Hydrides Using Synchrotron X-ray Absorption

305

Storing Hydrogen  

DOE Green Energy (OSTI)

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

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

2010-05-31T23:59:59.000Z

306

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

SciTech Connect

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

307

Hydrogen Analysis  

NLE Websites -- All DOE Office Websites (Extended Search)

A A H2A: Hydrogen Analysis Margaret K. Mann DOE Hydrogen, Fuel Cells, and Infrastructure Technologies Program Systems Analysis Workshop July 28-29, 2004 Washington, D.C. H2A Charter * H2A mission: Improve the transparency and consistency of approach to analysis, improve the understanding of the differences among analyses, and seek better validation from industry. * H2A was supported by the HFCIT Program H2A History * First H2A meeting February 2003 * Primary goal: bring consistency & transparency to hydrogen analysis * Current effort is not designed to pick winners - R&D portfolio analysis - Tool for providing R&D direction * Current stage: production & delivery analysis - consistent cost methodology & critical cost analyses * Possible subsequent stages: transition analysis, end-point

308

The depleted hydrogen atoms in chemical graph theory  

Science Conference Proceedings (OSTI)

A new algorithm which explicitly describes the depleted hydrogen atoms is proposed for chemical graph computations, and especially for molecular connectivity model studies. The new algorithm continues to be centred on the concepts of complete graphs ... Keywords: General chemical graphs, complete graphs, hydrogen perturbation, molecular connectivity computations

Lionello Pogliani

2008-12-01T23:59:59.000Z

309

Catalytic Hydrothermal Gasification of Biomass  

Science Conference Proceedings (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

310

Catalytic reactor with improved burner  

DOE Patents (OSTI)

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

Faitani, Joseph J. (Hartford, CT); Austin, George W. (Glastonbury, CT); Chase, Terry J. (Somers, CT); Suljak, George T. (Vernon, CT); Misage, Robert J. (Manchester,all of, CT)

1981-01-01T23:59:59.000Z

311

FCT Hydrogen Production: Contacts  

NLE Websites -- All DOE Office Websites (Extended Search)

Contacts to someone by E-mail Share FCT Hydrogen Production: Contacts on Facebook Tweet about FCT Hydrogen Production: Contacts on Twitter Bookmark FCT Hydrogen Production:...

312

Hydrogen Technologies Group  

DOE Green Energy (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

313

Hydrogen Transition Infrastructure Analysis  

DOE Green Energy (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

314

The Transition to Hydrogen  

E-Print Network (OSTI)

Prospects for Building a Hydrogen Energy Infrastructure,and James S. Cannon. The Hydrogen Energy Transition: Movingof Energy, National Hydrogen Energy Roadmap, November 2002.

Ogden, Joan

2005-01-01T23:59:59.000Z

315

Hydrogen SRNL Connection  

hydrogen storage. Why is Savannah River National Laboratory conducting hydrogen research and development? ... Both the Department of Energys hydrogen ...

316

FCT Hydrogen Storage: Contacts  

NLE Websites -- All DOE Office Websites (Extended Search)

Contacts to someone by E-mail Share FCT Hydrogen Storage: Contacts on Facebook Tweet about FCT Hydrogen Storage: Contacts on Twitter Bookmark FCT Hydrogen Storage: Contacts on...

317

National Hydrogen Energy Roadmap  

NLE Websites -- All DOE Office Websites (Extended Search)

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...

318

National Hydrogen Energy Roadmap  

NLE Websites -- All DOE Office Websites (Extended Search)

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...

319

Hydrogen Generation Rate Scoping Study of DOW Corning Antifoam Agent  

DOE Green Energy (OSTI)

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

Crawford, Charles

2005-09-27T23:59:59.000Z

320

Spectroscopic studies of hydrogen collisions. Progress report  

DOE Green Energy (OSTI)

Low energy collisions involving neutral excited states of hydrogen are being studied with vacuum ultraviolet spectroscopy. Atomic hydrogen is generated by focusing an energetic pulse of ArF, KrF, or YAG laser light into a cell of molecular hydrogen, where a plasma is created near the focal point. The H{sub 2} molecules in and near this region are dissociated, and the cooling atomic hydrogen gas is examined with laser and dispersive optical spectroscopy. In related experiments, we are also investigating neutral H + O and H + metal {minus} atom collisions in these laser-generated plasmas.

Kielkopf, J.

1991-12-10T23:59:59.000Z

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.


321

Effect of temperature on layer separation by plasma-hydrogenation  

DOE Green Energy (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

322

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

Energy.gov (U.S. Department of Energy (DOE)) 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...

323

Catalytic Properties of Ni-Al Intermetallic Nanoparticle Catalysts for ...  

Science Conference Proceedings (OSTI)

In order to pursue high catalytic performance of Ni-Al intermetallic ... very high catalytic activity for methanol decomposition and methane steam reforming.

324

Catalytic Fast Pyrolysis for the Production of the Hydrocarbon Biofuels  

SciTech Connect

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

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

2013-01-01T23:59:59.000Z

325

Removal of sulfur from recycle gas streams in catalytic reforming  

Science Conference Proceedings (OSTI)

This patent describes improvement in a process for catalytically reforming a hydrocarbonaceous feedstock boiling in the gasoline range, wherein the reforming is conducted in the presence of hydrogen in a reforming process unit under reforming conditions, the process unit comprised of serially connected reactors, each of the reactors containing a reforming catalyst, and which process unit also includes a regeneration circuit for regenerating the catalyst after it becomes coked, the regeneration comprising treatment with a sulfur containing gas, and which process unit also includes a gas/liquid separator wherein a portion of the gas is recycled and the remaining portion is collected as make-gas. The improvement comprises using a sulfur trap, containing a catalyst comprised of about 10 to about 70 wt. % nickel dispersed on a support, between the gas/liquid separator and the first reactor.

Boyle, J.P.

1991-08-27T23:59:59.000Z

326

Hydrogen Storage  

NLE Websites -- All DOE Office Websites (Extended Search)

Objectives - Develop and verify: On-board hydrogen storage systems achieving: 1.5 kWhkg (4.5 wt%), 1.2 kWhL, and 6kWh by 2005 2 kWhkg (6 wt%), 1.5 kWhL, and 4kWh by...

327

Intensified Fischer-Tropsch Synthesis Process with Microchannel Catalytic Reactors  

SciTech Connect

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

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

2009-02-28T23:59:59.000Z

328

Improved Hydrogen Gas Getters for TRU Waste -- Final Report  

DOE Green Energy (OSTI)

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

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

2005-09-01T23:59:59.000Z

329

Hydrogen catalysis and scavenging action of Pd-POSS nanoparticles  

DOE Green Energy (OSTI)

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

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

2007-02-01T23:59:59.000Z

330

DOE Hydrogen Analysis Repository: Distributed Hydrogen Production...  

NLE Websites -- All DOE Office Websites (Extended Search)

government interests, a variety of vendors, and numerous utilities. Keywords: Hydrogen production, natural gas, costs Purpose Assess progress toward the 2005 DOE Hydrogen...

331

DOE Hydrogen Analysis Repository: Hydrogen Futures Simulation...  

NLE Websites -- All DOE Office Websites (Extended Search)

hydrogen scenarios will affect carbon and other environmental effluents and U.S. oil import requirements Outputs: Delivered hydrogen costs (cost per gallon of gas...

332

DOE Hydrogen Analysis Repository: Hydrogen Refueling Infrastructure...  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Refueling Infrastructure Cost Analysis Project Summary Full Title: Hydrogen Refueling Infrastructure Cost Analysis Project ID: 273 Principal Investigator: Marc Melaina...

333

DOE Hydrogen Analysis Repository: Hydrogen Infrastructure Market...  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Infrastructure Market Readiness Analysis Project Summary Full Title: Hydrogen Infrastructure Market Readiness Analysis Project ID: 268 Principal Investigator: Marc Melaina...

334

DOE Hydrogen Analysis Repository: Electrolytic Hydrogen Production  

NLE Websites -- All DOE Office Websites (Extended Search)

by Principal Investigator Projects by Date U.S. Department of Energy Electrolytic Hydrogen Production Project Summary Full Title: Summary of Electrolytic Hydrogen Production:...

335

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

DOE Patents (OSTI)

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

Lessing, Paul A. (Idaho Falls, ID)

2008-07-22T23:59:59.000Z

336

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.

337

Hydrogen Analysis Group  

DOE Green Energy (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

338

Electrochemical Hydrogen Sensor for Safety Monitoring  

DOE Green Energy (OSTI)

A hydrogen safety sensor is presented which provides high sensitivity and fast response time when operated in air. The target application for the sensor is external deployment near systems using or producing high concentrations of hydrogen. The sensor is composed of a catalytically active metal-oxide sensing electrode and a noble metal reference electrode attached to an yttria-stabilized zirconia (YSZ) electrolyte. The sensing approach is based on the difference in oxidation rate of hydrogen on the different electrode materials. Results will be presented for a sensor using a sensing electrode of tin-doped indium oxide (ITO). Response to H{sub 2}, and cross-sensitivity to hydrocarbon and H{sub 2}O are discussed.

Martin, L P; Pham, A-Q; Glass, R S

2003-04-25T23:59:59.000Z

339

Optimal control of fluid catalytic cracking processes  

Science Conference Proceedings (OSTI)

An investigation was made of the applicability of optimal control theory to the design of control systems for non-linear, multivariable chemical processes. A hypothetical fluid catalytic cracking process was selected as a typical representative of such ...

L. A. Gould; L. B. Evans; H. Kurihara

1970-09-01T23:59:59.000Z

340

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

E-Print Network (OSTI)

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

Goddard III, William A.

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 Sensor Testing, Hydrogen Technologies (Fact Sheet)  

DOE Green Energy (OSTI)

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

Not Available

2008-11-01T23:59:59.000Z

342

Nuclear Hydrogen Initiative  

NLE Websites -- All DOE Office Websites (Extended Search)

Advanced Nuclear Research Advanced Nuclear Research Office of Nuclear Energy, Science and Technology FY 2003 Programmatic Overview Nuclear Hydrogen Initiative Nuclear Hydrogen Initiative Office of Nuclear Energy, Science and Technology Henderson/2003 Hydrogen Initiative.ppt 2 Nuclear Hydrogen Initiative Nuclear Hydrogen Initiative Program Goal * Demonstrate the economic commercial-scale production of hydrogen using nuclear energy by 2015 Need for Nuclear Hydrogen * Hydrogen offers significant promise for reduced environmental impact of energy use, specifically in the transportation sector * The use of domestic energy sources to produce hydrogen reduces U.S. dependence on foreign oil and enhances national security * Existing hydrogen production methods are either inefficient or produce

343

Hydrogen as a fuel  

SciTech Connect

A panel of the Committee on Advanced Energy Storage Systems of the Assembly of Engineering has examined the status and problems of hydrogen manufacturing methods, hydrogen transmission and distribution networks, and hydrogen storage systems. This examination, culminating at a time when rapidly changing conditions are having noticeable impact on fuel and energy availability and prices, was undertaken with a view to determining suitable criteria for establishing the pace, timing, and technical content of appropriate federally sponsored hydrogen R and D programs. The increasing urgency to develop new sources and forms of fuel and energy may well impact on the scale and timing of potential future hydrogen uses. The findings of the panel are presented. Chapters are devoted to hydrogen sources, hydrogen as a feedstock, hydrogen transport and storage, hydrogen as a heating fuel, automotive uses of hydrogen, aircraft use of hydrogen, the fuel cell in hydrogen energy systems, hydrogen research and development evaluation, and international hydrogen programs.

1979-01-01T23:59:59.000Z

344

Catalytic gasification of wet biomass in supercritical water  

Science Conference Proceedings (OSTI)

Wet biomass (water hyacinth, banana trees, cattails, green algae, kelp, etc.) grows rapidly and abundantly around the world. As a biomass crop, aquatic species are particularly attractive because their cultivation does not compete with land-based agricultural activities designed to produce food for consumption or export. However, wet biomass is not regarded as a promising feed for conventional thermochemical conversion processes because the cost associated with drying it is too high. This research seeks to address this problem by employing water as the gasification medium. Prior work has shown that low concentrations of glucose (a model compound for whole biomass) can be completely gasified in supercritical water at 600{degrees}C and 34.5 Wa after a 30 s reaction time. Higher concentrations of glucose (up to 22% by weight in water) resulted in incomplete conversion under these conditions. The gas contained hydrogen, carbon dioxide, carbon monoxide, methane, ethane, propane, and traces of other hydrocarbons. The carbon monoxide and hydrocarbons are easily converted to hydrogen by commercial technology available in most refineries. This prior work utilized capillary tube reactors with no catalyst. A larger reactor system was fabricated and the heterogeneous catalytic gasification of glucose and wet biomass slurry of higher concentration was studied to attain higher conversions.

Antal, M.J. Jr.; Matsumura, Yukihiko; Xu, Xiaodong [Univ. of Hawaii, Honolulu, HI (United States)] [and others

1995-12-31T23:59:59.000Z

345

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

DOE Green Energy (OSTI)

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

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

2009-09-02T23:59:59.000Z

346

Hydrogen Isotope Exchange Properties of Porous Solids Containing Hydrogen  

Science Conference Proceedings (OSTI)

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

HEUNG, LEUNGK.

2004-08-18T23:59:59.000Z

347

Advanced Hydrogen Turbine Development  

DOE Green Energy (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

348

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

DOE Green Energy (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

349

Vibrational States of the Hydrogen Molecular Ion  

Science Conference Proceedings (OSTI)

The energy levels of H2 + are computed for all vibrational quantum numbers and for rotational quantum numbers up to J=8. The accuracy of the energy of the uppermost levels is estimated to be better than 10?7.

H. Wind

1965-01-01T23:59:59.000Z

350

Double Photoionization of Aligned Molecular Hydrogen  

SciTech Connect

We present converged, completely ab initio calculations ofthe triple differential cross sections for double photoionization ofaligned H2 molecules for a photon energy of 75.0 eV. The method ofexterior complex scaling, implemented with both the discrete variablerepresentation and B-splines, is used to solve the Schroedinger equationfor a correlated continuum wave function corresponding to a single photonhaving been absorbed by a correlated initial state. Results for a fixedinternuclear distance are compared with recent experiments and show thatintegration over experimental angular and energy resolutions is necessaryto produce good qualitative agreement, but does not eliminate somediscrepancies. Limitations of current experimental resolution are shownto sometimes obscure interesting details of the crosssection.

Vanroose, Wim; Horner, Daniel A.; Martin, Fernando; Rescigno,Thomas N.; McCurdy, C. William

2006-07-21T23:59:59.000Z

351

Double Photoionization of Aligned Molecular Hydrogen  

E-Print Network (OSTI)

variable representation and B-splines, is used to solve theshown were obtained from B-spline calcula- tions. Note thatthe use of complex-scaled B-splines, as well as the use of

Vanroose, Wim; Horner, Daniel A.; Martin, Fernando; Rescigno, Thomas N.; McCurdy, C. William

2006-01-01T23:59:59.000Z

352

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

353

Detection of hydrogen using graphene  

SciTech Connect

Irradiation dynamics of a single graphene sheet bombarded by hydrogen atoms is studied in the incident energy range of 0.1 to 200 eV. Results for reflection, transmision, and adsorption probabilities, as well as effects of a sinle adsorbed atom to the electronic properties of graphene, are obtained by the quantum-classical Monte Carlo molecular dynamics within a self-consistent-charge-density functional tight binding formalism. We compare these results with those, distinctly different, obtained by the classical molecular dynamics.

Ehemann, R. C. [Middle Tennessee State University; Krstic, Predrag S [ORNL; Dadras, J. [University of Tennessee, Knoxville (UTK); Kent, P. [Oak Ridge National Laboratory (ORNL); Jakowski, J [National Institute for Computational Sciences (NICS)

2012-01-01T23:59:59.000Z

354

DOE Hydrogen and Fuel Cells Program: Hydrogen Storage  

NLE Websites -- All DOE Office Websites (Extended Search)

Energy Search help Home > Hydrogen Storage Printable Version Hydrogen Storage Hydrogen storage is a key enabling technology for the advancement of hydrogen and fuel cell power...

355

FCT Hydrogen Storage: The 'National Hydrogen Storage Project...  

NLE Websites -- All DOE Office Websites (Extended Search)

The 'National Hydrogen Storage Project' to someone by E-mail Share FCT Hydrogen Storage: The 'National Hydrogen Storage Project' on Facebook Tweet about FCT Hydrogen Storage: The...

356

The Road to Hydrogen--Challenges Ahead in Technology and Manufacturing  

NLE Websites -- All DOE Office Websites (Extended Search)

Chevron 2005 Chevron 2005 The Road to Hydrogen - Challenges Ahead in Technology and Manufacturing Rick Zalesky President, Hydrogen Unit Chevron Technology Ventures July 13, 2005 2 © Chevron 2005 CTV Hydrogen Strategy Develop organizational capability to be a market leader should hydrogen be adopted in the fuels portfolio Leverage hydrogen as an extension of our existing businesses Ensure CVX is positioned to actively participate in the development of hydrogen technologies and related regulations and legislation Enhance CVX's reputation as a leader in fuel processing 3 © Chevron 2005 Chevron Hydrogen Energy Stations 4 © Chevron 2005 Integrated Hydrogen Energy Stations: Scalable, Distributed Manufacturing Technology Convergence and integration Molecular-scale design

357

VOC Destruction by Catalytic Combustion Microturbine  

SciTech Connect

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

Tom Barton

2009-03-10T23:59:59.000Z

358

VOC Destruction by Catalytic Combustion Microturbine  

SciTech Connect

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

Tom Barton

2009-03-10T23:59:59.000Z

359

Hydrogen from Coal  

NLE Websites -- All DOE Office Websites (Extended Search)

Coal Coal Edward Schmetz Office of Sequestration, Hydrogen and Clean Coal Fuels U.S. Department of Energy DOE Workshop on Hydrogen Separations and Purification Technologies September 8, 2004 Presentation Outline ƒ Hydrogen Initiatives ƒ Hydrogen from Coal Central Production Goal ƒ Why Coal ƒ Why Hydrogen Separation Membranes ƒ Coal-based Synthesis Gas Characteristics ƒ Technical Barriers ƒ Targets ƒ Future Plans 2 3 Hydrogen from Coal Program Hydrogen from Coal Program FutureGen FutureGen Hydrogen Fuel Initiative Hydrogen Fuel Initiative Gasification Fuel Cells Turbines Gasification Fuel Cells Turbines Carbon Capture & Sequestration Carbon Capture & Sequestration The Hydrogen from Coal Program Supports the Hydrogen Fuel Initiative and FutureGen * The Hydrogen Fuel Initiative is a $1.2 billion RD&D program to develop hydrogen

360

Introduction to hydrogen energy  

SciTech Connect

The book comprises the following papers: primary energy sources suitable for hydrogen production, thermochemical and electrolytic production of hydrogen from water, hydrogen storage and transmission methods, hydrogen-oxygen utilization devices, residential and industrial utilization of energy, industrial utilization of hydrogen, use of hydrogen as a fuel for transportation, an assessment of hydrogen-fueled navy ships, mechanisms and strategies of market penetration for hydrogen, and fossil/hydrogen energy mix and population control. A separate abstract was prepared for each paper for ERDA Energy Research Abstracts (ERA). (LK)

Veziroglu, T.N. (ed.)

1975-01-01T23:59:59.000Z

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.


361

Mechanochemical hydrogenation of coal  

DOE Patents (OSTI)

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

Yang, Ralph T. (Tonawanda, NY); Smol, Robert (East Patchogue, NY); Farber, Gerald (Elmont, NY); Naphtali, Leonard M. (Washington, DC)

1981-01-01T23:59:59.000Z

362

Chemical Kinetic Modeling of Hydrogen Combustion Limits  

Science Conference Proceedings (OSTI)

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

Pitz, W J; Westbrook, C K

2008-04-02T23:59:59.000Z

363

Catalytic Combustor for Fuel-Flexible Turbine  

SciTech Connect

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

W. R. Laster; E. Anoshkina

2008-01-31T23:59:59.000Z

364

Catalytic Combustor for Fuel-Flexible Turbine  

SciTech Connect

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

365

Catalytic Combustor for Fuel-Flexible Turbine  

SciTech Connect

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

Laster, W. R.; Anoshkina, E.

2008-01-31T23:59:59.000Z

366

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

DOE Green Energy (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

367

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

SciTech Connect

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

368

FCT Hydrogen Production: Basics  

NLE Websites -- All DOE Office Websites (Extended Search)

Basics to someone by E-mail Basics to someone by E-mail Share FCT Hydrogen Production: Basics on Facebook Tweet about FCT Hydrogen Production: Basics on Twitter Bookmark FCT Hydrogen Production: Basics on Google Bookmark FCT Hydrogen Production: Basics on Delicious Rank FCT Hydrogen Production: Basics on Digg Find More places to share FCT Hydrogen Production: Basics on AddThis.com... Home Basics Central Versus Distributed Production Current Technology R&D Activities Quick Links Hydrogen Delivery Hydrogen Storage Fuel Cells Technology Validation Manufacturing Codes & Standards Education Systems Analysis Contacts Basics Photo of hydrogen production in photobioreactor Hydrogen, chemical symbol "H", is the simplest element on earth. An atom of hydrogen has only one proton and one electron. Hydrogen gas is a diatomic

369

Energy Basics: Hydrogen Fuel  

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

EERE: Energy Basics Hydrogen Fuel Hydrogen is a clean fuel that, when consumed, produces only water. Hydrogen can be produced from a variety of domestic sources, such as coal,...

370

NREL: Learning - Hydrogen Basics  

NLE Websites -- All DOE Office Websites (Extended Search)

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

371

Solar Hydrogen Conversion Background  

E-Print Network (OSTI)

Solar Hydrogen Conversion Background: The photoelectrochemical production of hydrogen has drawn properties In order to develop better materials for solar energy applications, in-depth photoelectrochemical simulated solar irradiance. Hydrogen production experiments are conducted in a sealed aluminum cell

Raftery, Dan

372

The Hype About Hydrogen  

E-Print Network (OSTI)

Review: The Hype About Hydrogen By Joseph J. Romm ReviewedJ. Romm. The Hype About Hydrogen. Washington, DC: IslandEmissions. The Hype About Hydrogen describes in detail what

Mirza, Umar Karim

2006-01-01T23:59:59.000Z

373

FCT Hydrogen Storage: Basics  

NLE Websites -- All DOE Office Websites (Extended Search)

Basics to someone by E-mail Share FCT Hydrogen Storage: Basics on Facebook Tweet about FCT Hydrogen Storage: Basics on Twitter Bookmark FCT Hydrogen Storage: Basics on Google...

374

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

Office of Scientific and Technical Information (OSTI)

Hydrogen Production Hydrogen Production Hydrogen Research in DOE Databases Energy Citations Database Information Bridge Science.gov WorldWideScience.org More information Making molecular hydrogen more efficiently Breaking Up (Hydrogen) No Longer As Hard To Do Hydrogen and Our Energy Future Fuel Cell Animation Hydrogen & Fuel Cells Increase your Hydrogen IQ Visit the Science Showcase homepage. OSTI Homepage Mobile Gallery Subscribe to RSS OSTI Blog Get Widgets Get Alert Services OSTI Facebook OSTI Twitter OSTI Google+ Bookmark and Share (Link will open in a new window) Go to Videos Loading... Stop news scroll Most Visited Adopt-A-Doc DOE Data Explorer DOE Green Energy DOepatents DOE R&D Accomplishments .EDUconnections Energy Science and Technology Software Center E-print Network

375

Electro Catalytic Oxidation (ECO) Operation  

Science Conference Proceedings (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

376

Growth of Crystalline Polyaminoborane through Catalytic Dehydrogenation of Ammonia Borane on FeB Nanoalloy  

DOE Green Energy (OSTI)

Tremendous effort has been devoted to the study of complex and chemical hydrides for hydrogen storage in the past decade[1, 2]. Ammonia Borane (NH3BH3, AB) with a hydrogen content of 19.6 wt % has received significant attention[3-5]. Methods to improve the kinetics of the step-wise dehydrogenation of AB are diverse including the uses of mesoporous frameworks[6], catalysts[7-16], and additives[17]. It was reported that when dissolving in organic solvents AB released hydrogen readily in the presence of transition metal catalysts through the formation of M???HBH2NH3 complex (where M is Ir, Ru, or Ni etc.)[8-10]; Lewis or Brnsted acids, on the other hand, react with AB in solution to form the initiating species (BH2NH3)+[11], which may have the similar function as the [BH2(NH3)2]+BH4- (DADB) in the dehydrogenation of solid AB[17, 18]. However, comparatively little study has been reported on the catalytic dehydrogenation of AB in solid form. Other important but less investigated aspects in the solid-state reaction are the characterizations of functional catalytic species and products from the step-wise dehydrogenation.

He, Teng; Wang, Junhu; Wu, Guotao; Kim, Hyun Jeong; Proffen, Thomas E.; Wu, Anan; Li, Wen; Liu, Tao; Xiong, Zhitao; Wu, Chengzhang; Chu, Hailiang; Guo, Jianping; Autrey, Thomas; Zhang, Tao; Chen, Ping

2010-11-15T23:59:59.000Z

377

COAL/POLYMER COPROCESSING WITH EFFICIENT USE OF HYDROGEN  

DOE Green Energy (OSTI)

Inadequacies of current recovery and disposal methods for mixed plastic wastes drive the exploration of viable strategies for plastics resource recovery. The combination of diminishing landfill space and increasing usage of plastic products poses a significant dilemma, since current recovery methods are costly and ill-suited to handle contaminants. Coprocessing of polymeric waste with other materials may provide potential solutions to the deficiencies of current resource recovery methods, including unfavorable process economics. By incorporating plastic waste as a minor feed into an existing process, variations in supply and composition could be mediated, permitting continuous operation. One attractive option is the coprocessing of polymeric waste with coal under direct liquefaction conditions, allowing for simultaneous conversion of both feedstocks into high-valued products. Catalyst-directed coliquefaction of coal and polymeric materials not only has attractive environmental implications but also has the potential to enhance the economic viability of traditional liquefaction processes. By exploiting the higher H/C ratio of the polymeric material and using it as a hydrogen source, the overall process demand for molecular hydrogen and hydrogen donor solvents may be reduced. A series of model compound experiments has been conducted, providing a starting point for unraveling the complex chemistry underlying coliquefaction of coal and polymeric materials. Tetradecane (C{sub 14} H{sub 30} ) was used as a polyethylene mimic, and 4-(naphthylmethyl)bibenzyl (NBBM) was used as a coal model compound. Neat and binary mixture reactions of tetradecane and NBBM were carried out in an inert atmosphere at both low and high pressures to establish a thermal baseline for subsequent catalytic experiments. Work in the past six months has focused on analysis of light gaseous products for neat reactions of tetradecane, resulting in mass balances greater than 94%. The experimental protocol developed in the previous project period was used to conduct experiments at elevated pressures more representative of coal liquefaction conditions, and both neat and binary mixture reactions of tetradecane and NBBM were examined. Mechanistic modeling studies were also initiated in order to support and quantify the mechanistic ideas put forth to explain the experimental observations.

DR. LINDA J. BROADBELT; MATTHEW J. DE WITT

1998-03-20T23:59:59.000Z

378

Hydrogen (H2)  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen (H2) Hydrogen (H2) Historical Records from Ice Cores Deuterium Record from Dome C, Antarctica Continuous Measurements Advanced Global Atmospheric Gases Experiment (AGAGE,...

379

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?

380

Hydrogen and Infrastructure Costs  

NLE Websites -- All DOE Office Websites (Extended Search)

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...

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

Hydrogen Permeability and Integrity of Hydrogen  

E-Print Network (OSTI)

- Materials Solutions for Hydrogen Delivery in Pipelines - Natural Gas Pipelines for Hydrogen Use #12;3 OAK embrittlement of pipeline steels under high gaseous pressures relevant to hydrogen gas transmission pipeline behavior as function of pressure and temperature - Effects of steel composition, microstructure

382

www.hydrogenics.com Hydrogenics Corporation  

E-Print Network (OSTI)

integration capabilities · Control and load profile software Hydrogen Energy Storage and Power Systems · Off Power ...Powering Change #12;www.hydrogenics.com Hydrogenics Profile Designer and manufacturer-grid renewable power · On-grid community or residential power · Grid incentives for load control · Renewable

383

FCT Hydrogen Delivery: Hydrogen Delivery R&D Activities  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Delivery R&D Activities to someone by E-mail Share FCT Hydrogen Delivery: Hydrogen Delivery R&D Activities on Facebook Tweet about FCT Hydrogen Delivery: Hydrogen Delivery...

384

Hydrogen Pipeline Discussion  

NLE Websites -- All DOE Office Websites (Extended Search)

praxair.com praxair.com Copyright © 2003, Praxair Technology, Inc. All rights reserved. Hydrogen Pipeline Discussion BY Robert Zawierucha, Kang Xu and Gary Koeppel PRAXAIR TECHNOLOGY CENTER TONAWANDA, NEW YORK DOE Hydrogen Pipeline Workshop Augusta, GA August 2005 2 Introduction Regulatory and technical groups that impact hydrogen and hydrogen systems ASME, DOE, DOT etc, Compressed Gas Association activities ASTM TG G1.06.08 Hydrogen pipelines and CGA-5.6 Selected experience and guidance Summary and recommendations 3 CGA Publications Pertinent to Hydrogen G-5: Hydrogen G-5.3: Commodity Specification for Hydrogen G-5.4: Standard for Hydrogen Piping at Consumer Locations G-5.5: Hydrogen Vent Systems G-5.6: Hydrogen Pipeline Systems (IGC Doc 121/04/E) G-5.7: Carbon Monoxide and Syngas

385

Hydrogen | Open Energy Information  

Open Energy Info (EERE)

<-- Back to Hydrogen Gateway <-- Back to Hydrogen Gateway Technical Reference for Hydrogen Compatibility of Materials KIA FCEV SUNRISE MG 7955 6 7.jpg Guidance on materials selection for hydrogen service is needed to support the deployment of hydrogen as a fuel as well as the development of codes and standards for stationary hydrogen use, hydrogen vehicles, refueling stations, and hydrogen transportation. Materials property measurement is needed on deformation, fracture and fatigue of metals in environments relevant to this hydrogen economy infrastructure. The identification of hydrogen-affected material properties such as strength, fracture resistance and fatigue resistance are high priorities to ensure the safe design of load-bearing structures. To support the needs of the hydrogen community, Sandia National

386

Process and apparatus for coal hydrogenation  

SciTech Connect

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

387

METHOD OF COMBINING HYDROGEN AND OXYGEN  

DOE Patents (OSTI)

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

McBride, J.P.

1962-02-27T23:59:59.000Z

388

Annual Operation of Selective Catalytic Reduction Systems  

Science Conference Proceedings (OSTI)

In 2009, many coal-fired generating units equipped with selective catalytic reduction (SCR) systems for nitrogen oxide (NOX) control will convert from seasonal to annual SCR operation. This report provides guidelines on how to prepare for annual operation. It focuses on existing experience with annual operation, catalyst management strategy, equipment reliability, cold weather issues, low load and cycling operation, and risk assessment.

2007-12-18T23:59:59.000Z

389

Fuzzy modeling of fluidized catalytic cracking unit  

Science Conference Proceedings (OSTI)

The paper deals with the fuzzy system identification of reactor-regenerator-stripper-fractionator's (RRSF) section of a fluidized catalytic cracking unit (FCCU). The fuzzy system identification based on the data collected from an operating refinery of ... Keywords: Dynamic fuzzy model, FCCU models, Fuzzy clustering, Fuzzy inference systems, Fuzzy models, Hybrid learning, Mountain clustering, Supervised learning, Unsupervised learning

Mohammad Fazle Azeem; Nesar Ahmad; M. Hanmandlu

2007-01-01T23:59:59.000Z

390

Rapid Deployment of Rich Catalytic Combustion  

SciTech Connect

The overall objective of this research under the Turbines Program is the deployment of fuel flexible rich catalytic combustion technology into high-pressure ratio industrial gas turbines. The resulting combustion systems will provide fuel flexibility for gas turbines to burn coal derived synthesis gas or natural gas and achieve NO{sub x} emissions of 2 ppmvd or less (at 15 percent O{sub 2}), cost effectively. This advance will signify a major step towards environmentally friendly electric power generation and coal-based energy independence for the United States. Under Phase 1 of the Program, Pratt & Whitney (P&W) performed a system integration study of rich catalytic combustion in a small high-pressure ratio industrial gas turbine with a silo combustion system that is easily scalable to a larger multi-chamber gas turbine system. An implementation plan for this technology also was studied. The principal achievement of the Phase 1 effort was the sizing of the catalytic module in a manner which allowed a single reactor (rather than multiple reactors) to be used by the combustion system, a conclusion regarding the amount of air that should be allocated to the reaction zone to achieve low emissions, definition of a combustion staging strategy to achieve low emissions, and mechanical integration of a Ceramic Matrix Composite (CMC) combustor liner with the catalytic module.

Richard S. Tuthill

2004-06-10T23:59:59.000Z

391

2001 Workshop on Selective Catalytic Reduction  

Science Conference Proceedings (OSTI)

Approximately 100,000 megawatts of coal-fired capacity in the United States will employ selective catalytic reduction (SCR) for the control of nitrogen oxides (NOx) emissions by 2004. The 2001 Workshop on SCR, held in Baltimore, Maryland, provided a forum for discussion of current SCR issues.

2002-02-04T23:59:59.000Z

392

Pilot Evaluation of the Impact of Chloride on Selective Catalytic Reduction (SCR) Mercury Oxidation  

Science Conference Proceedings (OSTI)

This study investigated the effect of blending Powder River Basin (PRB) coal with an Eastern bituminous coal on the speciation of Hg across a selective catalytic reduction (SCR) catalyst. A pilot-scale coal combustor equipped with an SCR reactor for NOx control was used to evaluate the effect of coal blending on improving Hg oxidation across an SCR catalyst. Several parameters such as the ratio of PRB/bituminous coal blend and the concentrations of hydrogen halides (HCl, HBr, and HF) and halogens (Cl2 an...

2008-03-19T23:59:59.000Z

393

The market viability of nuclear hydrogen technologies.  

DOE Green Energy (OSTI)

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

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

2007-04-06T23:59:59.000Z

394

Carbon Aerogels for Hydrogen Storage  

DOE Green Energy (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

395

DOE Permitting Hydrogen Facilities: Hydrogen Fueling Stations  

NLE Websites -- All DOE Office Websites (Extended Search)

Stations Stations Public-use hydrogen fueling stations are very much like gasoline ones. In fact, sometimes, hydrogen and gasoline cars can be fueled at the same station. These stations offer self-service pumps, convenience stores, and other services in high-traffic locations. Photo of a Shell fueling station showing the site convenience store and hydrogen and gasoline fuel pumps. This fueling station in Washington, D.C., provides drivers with both hydrogen and gasoline fuels Many future hydrogen fueling stations will be expansions of existing fueling stations. These facilities will offer hydrogen pumps in addition to gasoline or natural gas pumps. Other hydrogen fueling stations will be "standalone" operations. These stations will be designed and constructed to

396

Puerto Rico Refinery Catalytic Hydrotreating, Kerosene/Jet Fuel ...  

U.S. Energy Information Administration (EIA)

Puerto Rico Refinery Catalytic Hydrotreating, Kerosene/Jet Fuel Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

397

Puerto Rico Refinery Catalytic Hydrocracking, Gas Oil Downstream ...  

U.S. Energy Information Administration (EIA)

Puerto Rico Refinery Catalytic Hydrocracking, Gas Oil Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

398

Colorado Refinery Catalytic Hydrotreating, Other/Residual Fuel Oil ...  

U.S. Energy Information Administration (EIA)

Colorado Refinery Catalytic Hydrotreating, Other/Residual Fuel Oil Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

399

New Jersey Refinery Catalytic Reforming/High Pressure Downstream ...  

U.S. Energy Information Administration (EIA)

New Jersey Refinery Catalytic Reforming/High Pressure Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

400

Arkansas Refinery Catalytic Reforming/High Pressure Downstream ...  

U.S. Energy Information Administration (EIA)

Arkansas Refinery Catalytic Reforming/High Pressure Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

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

U.S. Refinery Catalytic Hydrotreating, Heavy Gas Oil ...  

U.S. Energy Information Administration (EIA)

U.S. Refinery Catalytic Hydrotreating, Heavy Gas Oil Downstream Charge Capacity as of January 1 (Barrels per Stream Day)

402

Scaled Testing of Hydrogen Gas Getters for Transuranic Waste  

SciTech Connect

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

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

2006-07-01T23:59:59.000Z

403

Initiators of coal hydrogenation  

Science Conference Proceedings (OSTI)

The initiators examined include cyclic and linear silico-organic compounds, the effects of which on the hydrogenation process are studied. The substances not only localize the active radicals before these are stabilised by hydrogen, but actually activate the destruction reaction of the coal substance and in this way generate atomic hydrogen: radical polymerization inhibitors thus convert to activators and hydrogen transfer. (8 refs.)

Krichko, A.A.; Dembovskaya, E.A.; Gorlov, E.G.

1983-01-01T23:59:59.000Z

404

Facilities/Staff Hydrogen  

Science Conference Proceedings (OSTI)

Thermophysical Properties of Hydrogen. FACILITIES and STAFF. The Thermophysical Properties Division is the Nation's ...

405

Hydrogen & Our Energy Future  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Program Hydrogen Program www.hydrogen.energy.gov Hydrogen & Our Energy Future  | HydrOgEn & Our EnErgy FuturE U.S. Department of Energy Hydrogen Program www.hydrogen.energy.gov u.S. department of Energy |  www.hydrogen.energy.gov Hydrogen & Our Energy Future Contents Introduction ................................................... p.1 Hydrogen - An Overview ................................... p.3 Production ..................................................... p.5 Delivery ....................................................... p.15 Storage ........................................................ p.19 Application and Use ........................................ p.25 Safety, Codes and Standards ............................... p.33

406

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

407

Composition for absorbing hydrogen  

DOE Patents (OSTI)

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

Heung, Leung K. (Aiken, SC); Wicks, George G. (Aiken, SC); Enz, Glenn L. (N. Augusta, SC)

1995-01-01T23:59:59.000Z

408

Hydrogen storage on activated carbon. Final report  

DOE Green Energy (OSTI)

The project studied factors that influence the ability of carbon to store hydrogen and developed techniques to enhance that ability in naturally occurring and factory-produced commercial carbon materials. During testing of enhanced materials, levels of hydrogen storage were achieved that compare well with conventional forms of energy storage, including lead-acid batteries, gasoline, and diesel fuel. Using the best materials, an electric car with a modern fuel cell to convert the hydrogen directly to electricity would have a range of over 1,000 miles. This assumes that the total allowable weight of the fuel cell and carbon/hydrogen storage system is no greater than the present weight of batteries in an existing electric vehicle. By comparison, gasoline cars generally are limited to about a 450-mile range, and battery-electric cars to 40 to 60 miles. The project also developed a new class of carbon materials, based on polymers and other organic compounds, in which the best hydrogen-storing factors discovered earlier were {open_quotes}molecularly engineered{close_quotes} into the new materials. It is believed that these new molecularly engineered materials are likely to exceed the performance of the naturally occurring and manufactured carbons seen earlier with respect to hydrogen storage.

Schwarz, J.A. [Syracuse Univ., NY (United States). Dept. of Chemical Engineering and Materials Science

1994-11-01T23:59:59.000Z

409

FCT Hydrogen Storage: Hydrogen Storage R&D Activities  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Storage R&D Activities Hydrogen Storage R&D Activities to someone by E-mail Share FCT Hydrogen Storage: Hydrogen Storage R&D Activities on Facebook Tweet about FCT Hydrogen Storage: Hydrogen Storage R&D Activities on Twitter Bookmark FCT Hydrogen Storage: Hydrogen Storage R&D Activities on Google Bookmark FCT Hydrogen Storage: Hydrogen Storage R&D Activities on Delicious Rank FCT Hydrogen Storage: Hydrogen Storage R&D Activities on Digg Find More places to share FCT Hydrogen Storage: Hydrogen Storage R&D Activities on AddThis.com... Home Basics Current Technology DOE R&D Activities National Hydrogen Storage Compressed/Liquid Hydrogen Tanks Testing and Analysis Quick Links Hydrogen Production Hydrogen Delivery Fuel Cells Technology Validation Manufacturing Codes & Standards

410

NETL: Hydrogen Selective Exfoliated Zeolite Membranes  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Selective Exfoliated Zeolite Membranes Hydrogen Selective Exfoliated Zeolite Membranes Project No.: DE-FE0001322 The University of Minnesota is developing a technically and economically viable membrane for carbon dioxide (CO2) separation from typical water-gas-shift (WGS) mixture feeds. The goal of this project is to further develop recently developed membrane technology based on exfoliated zeolite coatings as components for carbon capture in integrated gasification combined cycle plants. These membranes have the potential to contribute to carbon capture by high-temperature separation of hydrogen from CO2 and other gases present in shifted synthesis gas. Molecular sieve membrane for the pre-combustion capture of CO2. Molecular sieve membrane for the pre-combustion capture of CO2. Related Papers and Publications:

411

Hydrogen-Rich Gas Production from Steam Gasification of Palm Oil Wastes Using the Supported Nano-NiO/?-Al2O3 Catalyst  

Science Conference Proceedings (OSTI)

The catalytic steam gasification of palm oil wastes for hydrogen-rich gas production was experimentally investigated in a combined fixed bed reactor using the newly developed nano-NiO/?-Al2O3 catalyst. The results indicated that the nano-NiO/?-Al2O3 ... Keywords: Biomass gasification, palm oil waste, catalyst, hydrogen production

Jianfen Li; Yanfang Yin; Jianjun Liu; Rong Yan

2009-10-01T23:59:59.000Z

412

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

Science Conference Proceedings (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 Brnsted-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

413

Catalytic reforming process using noble metal alkaline zeolites  

Science Conference Proceedings (OSTI)

This patent describes improvement in a process wherein a gasoline boiling range hydrocarbonaceous feedstock is catalytically reformed in the presence of hydrogen in a reforming process unit comprised of serially connected reactors wherein each of the reactors contains a supported noble metal-containing catalyst. The improvement comprises the noble-metal catalyst of at least one reactor being selected from the group consisting of alkaline faujasite zeolite, L zeolite and zeolites isostructural thereto, which catalysts are prepared by a: contacting an alkaline faujasite zeolite, L zeolite, or zeolite isostructural thereto, with a noble metal composition selected from Pt(acetylacetonate){sub 2} or Pd(acetylacetonate){sub 2} for an effective amount of time to form a substantially homogeneous mixture and to incorporate the platinum and/or palladium into the near surface regions of the zeolite, but not to disperse the platinum and/or palladium throughout the entire zeolite; and calcining the so treated zeolite at a temperature from about 250 {degrees} C to about 600 {degrees} C for an effective amount of time.

Schweizer, A.E.

1991-02-12T23:59:59.000Z

414

Synthesis and catalytic properties of metal and semiconductor nanoclusters  

SciTech Connect

Synthesis of metal or semiconductor nanoclusters in microheterogeneous oil-continuous inverse micelle systems is discussed. We focus on synthesis and catalytic properties of palladium, iron, and iron sulfide nanoclusters. Cluster size-control is achieved by changing the micelle size which is determined by small angle neutron scattering (SANS) and chosen to produce cluster in size range of 1-20 nm. Cluster sizes were determined by either transmission electron microscopy (TEM) or small-angle x-ray scattering (SAXS). Cluster structure was determined by either x-ray or electron diffraction. In the case of Fe nanoclusters the crystal structure depended on the chemical nature of the surfactant micelle used in the synthesis, illustrating the important role of the surfactant during the growth process. Results of in-situ pyrene hydrogenation using size-selected Pd clusters show a significant increase in activity/total surface area as the size decreases. These clusters also proved effective as unsupported catalysts for direct coal hydropyrolysis, even at very low metal concentrations. Synthesis and optical features of a new semiconductor cluster material, FeS{sub 2}, is discussed with regard to its use in photocatalysis. Application of FeS{sub 2} in coal hydrogenolysis reactions has improved yields of short chain hydrocarbons significantly compared to conventional FeS{sub 2} powders.

Wilcoxon, J.P.; Martino, T.; Klavetter, E.; Sylwester, A.P.

1993-08-01T23:59:59.000Z

415

Catalytic studies of supported Pd-Au catalysts  

E-Print Network (OSTI)

Although Pd-Au high-surface area catalysts are used in industry to improve activity and selectivity, a thorough understanding of the nature of these enhancements is lacking. A molecular-level understanding of catalytic reactions under actual reaction conditions is the ultimate goal. This thesis is mainly focused on the application of Pd-Au supported catalysts for vinyl acetate synthesis and CO oxidation reactions using highsurface area catalysts. We have attempted to improve the conventional Pd-Au based catalyst by synthesizing novel acetate-based and polymer-based catalysts. The corresponding catalytic reactivity and selectivity were measured and compared to conventional Pd-Au based catalyst systems. Subsequent characterization was performed using characterization techniques, such as, X-ray diffraction (XRD) and transmission electron microscopy (TEM). From our bimetallic catalytic studies, it was evident that the addition of Au to Pd leads to increased reactivity and selectivity. This surface modification is an important factor in the altered reaction kinetics for vinyl acetate (VA) synthesis and CO oxidation reactions. Promoted and unpromoted Pd-Au/SiO2/K+ catalyst were used for VA synthesis and the effect of pre-adsorbed O2, acetic acid and the role of oxygen were explored. The VA reaction rate of novel acetate-based Pd-Au/SiO2 catalyst was 3.5 times higher than conventional Pd-Au catalysts. Also, 100% selectivity was obtained for acetate-based Pd-Au/SiO2 at 130 oC and the VA formation rate was comparable to that of conventional Pd-Au catalysts. Therefore, the acetate-based Pd-Au/SiO2 catalyst seems very promising and can be explored further. Also, Pd(1):Au(4)/SiO2 catalysts demonstrate 100% CO conversion at much lower temperatures (90 oC) compared with other Pd-Au based catalysts. Furthermore, we were successful in obtaining sufficient CO oxidation activity with increased metal loading (5 wt%) and these catalysts did not deactivate under above-ambient reaction temperature conditions, which make 1:4 Pd- Au/SiO2 catalyst a good candidate for further exploration in CO oxidation reactions.

Boopalachandran, Praveenkumar

416

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

417

DOE Hydrogen Analysis Repository: Hydrogen Modeling Projects  

NLE Websites -- All DOE Office Websites (Extended Search)

Modeling Projects Modeling Projects Below are models grouped by topic. These models are used to analyze hydrogen technology, infrastructure, and other areas related to the development and use of hydrogen. Cross-Cutting Distributed Energy Resources Customer Adoption Model (DER_CAM) Hydrogen Deployment System (HyDS) Model and Analysis Hydrogen Technology Assessment and Selection Model (HyTASM) Renewable Energy Power System Modular Simulator (RPM-Sim) Stranded Biogas Decision Tool for Fuel Cell Co-Production Energy Infrastructure All Modular Industry Growth Assessment (AMIGA) Model Building Energy Optimization (BEopt) Distributed Energy Resources Customer Adoption Model (DER_CAM) Hydrogen Deployment System (HyDS) Model and Analysis Hydrogen Technology Assessment and Selection Model (HyTASM)

418

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

SciTech Connect

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

419

DOE Hydrogen and Fuel Cells Program: Hydrogen Analysis Resource Center  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Production Hydrogen Production Hydrogen Delivery Hydrogen Storage Hydrogen Manufacturing Fuel Cells Applications/Technology Validation Safety Codes and Standards Education Basic Research Systems Analysis Analysis Repository H2A Analysis Hydrogen Analysis Resource Center Scenario Analysis Well-to-Wheels Analysis Systems Integration U.S. Department of Energy Search help Home > Systems Analysis > Hydrogen Analysis Resource Center Printable Version Hydrogen Analysis Resource Center The Hydrogen Analysis Resource Center provides consistent and transparent data that can serve as the basis for hydrogen-related calculations, modeling, and other analytical activities. This new site features the Hydrogen Data Book with data pertinent to hydrogen infrastructure analysis; links to external databases related to

420

DOE Hydrogen Analysis Repository: Hydrogen Production from Renewables...  

NLE Websites -- All DOE Office Websites (Extended Search)

at the 1998 DOE Hydrogen Program Review. Keywords: Technoeconomic analysis; hydrogen production; costs; hydrogen storage; renewable Purpose To determine technical and economic...

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

Hydrogen Program Contacts; DOE Hydrogen Program FY 2008 Annual...  

NLE Websites -- All DOE Office Websites (Extended Search)

1 FY 2008 Annual Progress Report DOE Hydrogen Program JoAnn Milliken, DOE Hydrogen Program Manager and Chief Engineer Office of Hydrogen, Fuel Cells and Infrastructure Technologies...

422

An Energy Analysis of the Catalytic Combustion Burner  

E-Print Network (OSTI)

The gas boilers of conventional flame always produce varying degrees of combustion products NOx and CO, which pollute the environment and waste energy. As a new way of combustion, catalytic combustion breaks the flammable limits of conventional flame combustion, and realizes the combustion of ultra-natural gas/air mixture under the flammable limits. Its combustion efficiency is higher, which improves the ratio of energy utilization. Applying the catalytic combustion to gas boilers could solve the gas boilers' lower combustion efficiency, and achieve energy savings. On the basis of the catalytic combustion burner, the catalytic combustion burner was designed according to the catalytic combustion and water heaters. In this paper, we analyzed the heat loss and thermal efficiency of the catalytic combustion burner, and compared it to that of flame combustion boilers. The results showed that catalytic combustion burner ?'s heat loss is not so high as originally considered, and its pollutant emissions are lower.

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

2006-01-01T23:59:59.000Z

423

The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction  

DOE Green Energy (OSTI)

Hydrogen atoms play key roles in enzyme mechanism, but as this study shows, even high-quality X-ray data to a resolution of 1 {angstrom} cannot directly visualize them. Neutron diffraction, however, can locate deuterium atoms even at resolutions around 2 {angstrom}. Both neutron and X-ray diffraction data have been used to investigate the transition state of the aspartic proteinase endothiapepsin. The different techniques reveal a different part of the story, revealing the clearest picture yet of the catalytic mechanism by which the enzyme operates. Room temperature neutron and X-ray diffraction data were used in a newly developed joint refinement software package to visualize deuterium atoms within the active site of the enzyme when a gem-diol transition state analogue inhibitor is bound at the active site. These data were also used to estimate their individual occupancy, while analysis of the differences between the bond lengths of the catalytic aspartates was performed using atomic resolution X-ray data. The two methods are in agreement on the protonation state of the active site with a transition state analogue inhibitor bound confirming the catalytic mechanism at which the enzyme operates.

Kovalevsky, Andrey [Los Alamos National Laboratory (LANL); Erskine, Peter T. [University of Southampton, England; Cooper, Jon [University of Southampton, England

2008-01-01T23:59:59.000Z

424

DOE Hydrogen Analysis Repository: Distributed Hydrogen Production...  

NLE Websites -- All DOE Office Websites (Extended Search)

Projects by Date U.S. Department of Energy Distributed Hydrogen Production via Steam Methane Reforming Project Summary Full Title: Well-to-Wheels Case Study: Distributed...

425

DOE Hydrogen Analysis Repository: Centralized Hydrogen Production...  

NLE Websites -- All DOE Office Websites (Extended Search)

Biomass feedstock price Units: million Btu Supporting Information: LHV Description: Electricity price Units: kWh Description: Hydrogen fill pressure Units: psi Description:...

426

DOE Hydrogen Analysis Repository: Hydrogen Analysis Projects  

NLE Websites -- All DOE Office Websites (Extended Search)

of the Transition to Hydrogen Fuel Cell Vehicles Biofuels in Light-Duty Vehicles Biogas Resources Characterization Biomass Integrated Gasification Combined-Cycle Power...

427

DOE Hydrogen Analysis Repository: Hydrogen Deployment System...  

NLE Websites -- All DOE Office Websites (Extended Search)

routine to determine the layout of a least-cost infrastructure. Keywords: Hydrogen production; electrolysis; costs; fuel cells Purpose Initially, electrolytic H2 production...

428

DOE Hydrogen Analysis Repository: Hydrogen Infrastructure Costs  

NLE Websites -- All DOE Office Websites (Extended Search)

Infrastructure Costs Project Summary Full Title: Fuel Choice for Fuel Cell Vehicles: Hydrogen Infrastructure Costs Previous Title(s): Guidance for Transportation Technologies: Fuel...

429

DOE Hydrogen Analysis Repository: Hydrogen Technology Assessment...  

NLE Websites -- All DOE Office Websites (Extended Search)

of hydrogen fueling systems for transportation: An application of perspective-based scenario analysis using the analytic hierarchy process Project ID: 121 Principal...

430

DOE Hydrogen Analysis Repository: Centralized Hydrogen Production...  

NLE Websites -- All DOE Office Websites (Extended Search)

Coal Gasification with Sequestration Project Summary Full Title: Well-to-Wheels Case Study: Centralized Hydrogen Production from Coal Gasification with Sequestration Project ID:...

431

DOE Hydrogen Analysis Repository: Hydrogen Pathways Analysis  

NLE Websites -- All DOE Office Websites (Extended Search)

- 2020 ProductsDeliverables Description: FY 2012 Progress Report Publication Title: FY 2012 DOE Hydrogen Program Annual Progress Report ArticleAbstract Title: Effects of...

432

DOE Hydrogen Analysis Repository: Hydrogen Transition Analysis...  

NLE Websites -- All DOE Office Websites (Extended Search)

Period of Performance Start: June 2005 End: May 2008 Project Description Type of Project: Model Category: Hydrogen Fuel Pathways Objectives: Use agent-based modeling to provide...

433

DOE Hydrogen Analysis Repository: Hydrogen Vehicle Safety  

NLE Websites -- All DOE Office Websites (Extended Search)

risks of hydrogen with those of more common motor vehicle fuels including gasoline, propane, and natural gas. ProductsDeliverables Description: Report Publication Title:...

434

DOE Hydrogen Analysis Repository: Hydrogen Passenger Vehicle...  

NLE Websites -- All DOE Office Websites (Extended Search)

estimated the cost of both gasoline and methanol onboard fuel processors, as well as the cost of stationary hydrogen fueling system components including steam methane reformers,...

435

Endothermic photo-catalytic reactions. Final report  

SciTech Connect

The overall objective of this report is to present the results of an investigation to provide guidelines for future experimental work, on solar energy driven endothermic photo-catalytic reactions, and primarily to select candidate synthesis reactions which lead to high $-value products. An intensive literature search was conducted to find properties, market demand, and prices of pertinent chemicals; meeting four criteria: (1) the reaction must be endothermic and favorable; (2) the reaction must be catalytic; (3) the product must be produced from low cost feedstocks; and (4) the product must have a sales price >$1.00/lb. Initial examination of low cost feedstocks to high value products lead to consideration of n-paraffins to aromatics and substituted aromatics. Fifteen candidate endothermic synthesis reactions, meeting the above criteria, are suggested. The ratio of product price by reactant cost indicates {approximately}5--8 for the best possibilities; all can be visualized as starting with low cost paraffin and methanol feedstocks.

Prengle, H.W. Jr.; Wentworth, W.E.; Polonczyk, K.C.; Saghafi, M.; Wilking, J.A.; Kramer, K.S. [Houston Univ., TX (United States)

1992-04-01T23:59:59.000Z

436

Aqueous-phase hydrogenation of acetic acid over transition metal catalysts  

SciTech Connect

Catalytic hydrogenation of acetic acid to ethanol has been carried out in aqueous phase on several metals, with ruthenium being the most active and selective. DFT calculations suggest that the initial CO bond scission yielding acetyl is the key step and that the intrinsic reactivity of the metals accounts for the observed activity.

Olcay, Hakan [University of Massachusetts, Amherst; Xu, Lijun [ORNL; Xu, Ye [ORNL; Huber, George [University of Massachusetts, Amherst

2010-01-01T23:59:59.000Z

437

Database - Selective Catalytic Reduction Catalyst Deactivation Rates  

Science Conference Proceedings (OSTI)

Selective catalytic reduction (SCR) catalyst deactivation is a critical parameter controlling to a large extent achievable catalyst life, as well as overall SCR system performance. Accurate assessment and prediction of catalyst deactivation is required to adequately manage reactor potential. EPRI has on-going efforts underway aimed at better understanding the factors that affect catalyst deactivation, especially as a function of fuel, boiler design, and boiler operating conditions, in hopes of ...

2013-11-06T23:59:59.000Z