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1

Decoupled catalytic hydrogen evolution from a molecular metal oxide redox mediator in water splitting  

Science Journals Connector (OSTI)

...electacta.2007.11.027 37 Gahleitner G. , Hydrogen from renewable electricity: An international review of power-to-gas pilot plants for stationary applications . Int. J. Hydrogen Energy 38 , 2039 – 2061 ( 2013 ). 10.1016/j.ijhydene...

Benjamin Rausch; Mark D. Symes; Greig Chisholm; Leroy Cronin

2014-09-12T23:59:59.000Z

2

Decoupled catalytic hydrogen evolution from a molecular metal oxide redox mediator in water splitting  

Science Journals Connector (OSTI)

...system that uses a carbon cathode to reduce protons and a...SiW 12 O 40 ] at a carbon cathode. Alternatively, starting from the fully oxidized...Nanostructured nickel phosphide as an electrocatalyst for the hydrogen evolution reaction . J...electrocatalysis to stack development . Int. J. Hydrogen Energy...

Benjamin Rausch; Mark D. Symes; Greig Chisholm; Leroy Cronin

2014-09-12T23:59:59.000Z

3

Microchannel Reactor System for Catalytic Hydrogenation  

SciTech Connect

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

4

Molecular Components of Catalytic Selectivity  

SciTech Connect

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

Somorjai, Gabor A.; Park, Jeong Y.

2008-07-02T23:59:59.000Z

5

Catalytic gasification of automotive shredder residues with hydrogen generation  

Science Journals Connector (OSTI)

Hydrogen is a clean and new energy carrier to generate power through the Proton exchange membrane fuel cell (PEMFC) system. Hydrogen can be effectively turned out through the catalytic gasification of organic material such as automotive shredder residues (ASR). The main objective of this manuscript is to present an analysis of the catalytic gasification of ASR for the generation of high-purity hydrogen in a lab-scale fixed-bed downdraft gasifier using 15 wt.% NiO/Al2O3 catalysts at 760–900 K. In the catalytic gasification process, reduction of Ni(II) catalyst into Ni(0) has been confirmed through XANES spectra and consequently EXAFS data shows that the central Ni atoms have Ni–O and Ni–Ni bonds with bond distances of 2.03 ± 0.05 and 2.46 ± 0.05 Å, respectively. ASR is partially oxidized and ultimately converts into hydrogen rich syngas (CO and H2) and increases of the reaction temperature are favored the generation of hydrogen with decomposition of the CO. As well, approximately 220 kg h?1 of ASR would be catalytically gasified at 760–900 K and 46.2 atm with the reactor volume 0.27 m3 to obtain approximately 3.42 × 105 kcal h?1 of thermal energy during over 87% syngas generation with the generation of 100 kW electric powers.

Kuen-Song Lin; Sujan Chowdhury; Ze-Ping Wang

2010-01-01T23:59:59.000Z

6

Coal hydrogenation and deashing in ebullated bed catalytic reactor  

DOE Patents (OSTI)

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

7

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

8

Atomic Hydrogen in Condensed Form Produced by a Catalytic Process:? A Future Energy-Rich Fuel?  

Science Journals Connector (OSTI)

Atomic Hydrogen in Condensed Form Produced by a Catalytic Process:? A Future Energy-Rich Fuel? ... Energy Fuels, 2005, 19 (6), ...

Shahriar Badiei; Leif Holmlid

2005-10-04T23:59:59.000Z

9

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

10

Molecular hydrogen in Lyman alpha emitters  

Science Journals Connector (OSTI)

......undamped by neutral hydrogen. The main features...calculated including dust production due to SNe II, assuming...to which the neutral hydrogen fraction of at z (5...2011a). 3MOLECULAR HYDROGEN PHYSICS H2 can be formed in galaxies by two main methods: the first, and rather......

Livia Vallini; Pratika Dayal; Andrea Ferrara

2012-04-21T23:59:59.000Z

11

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

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

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

12

A resource recycling technique of hydrogen production from the catalytic degradation of organics in wastewater  

Science Journals Connector (OSTI)

A resource recycling technique of hydrogen production from the catalytic degradation of organics in wastewater by aqueous phase reforming (APR) has...N,N-dimethylformamide (DMF) and cyclohexanol) in water could b...

XiaoNian Li; LingNiao Kong; YiZhi Xiang; YaoMing Ju…

2008-11-01T23:59:59.000Z

13

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

SciTech Connect

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

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

1992-10-01T23:59:59.000Z

14

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

E-Print Network (OSTI)

the single component catalytic materials explored. Introduction Due to their high energy conversionCatalytic Conversion of Ethanol to Hydrogen Using Combinatorial Methods Shici Duan and Selim Senkan using a feed gas composition of 2% C2H5OH and 12% H2O in a helium carrier gas. This systematic

Senkan, Selim M.

15

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

SciTech Connect

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

Stock, L.M.

1995-06-30T23:59:59.000Z

16

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

E-Print Network (OSTI)

2 H 2 CH 3 CH 3 Scheme 2. Ethylene Hydrogenation Reaction. HHydrogenation Reaction. Table 1 Ethylene Hydrogenation RatesCatalytic Activity for Ethylene and Pyrrole Hydrogenation

Huang, Wenyu

2009-01-01T23:59:59.000Z

17

Catalytic Membrane Reactor for Extraction of Hydrogen from Bioethanol Reforming  

E-Print Network (OSTI)

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

Kuncharam, Bhanu Vardhan

2013-11-26T23:59:59.000Z

18

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

19

Storage of hydrogen in floating catalytic carbon nanotubes after graphitizing  

Science Journals Connector (OSTI)

Hydrogen storage under moderate pressure (?10 MPa) and ... catalyst method is investigated. The capacity of hydrogen adsorption is evaluated based on both the ... diameter and morphology. Indirect evidence indica...

Hongwei Zhu; Xuesong Li; Lijie CI; Cailu Xu…

2002-10-01T23:59:59.000Z

20

Hydrogen Production by Catalytic Steam Reforming of Bio-oil, Naphtha  

Science Journals Connector (OSTI)

Hydrogen production by catalytic steam reforming of the bio-oil, naphtha, and CH4 was investigated over a novel metal-doped catalyst of (Ca24Al28O64)4+4O?/Mg (C12A7-Mg). The catalytic steam reforming was investigated from 250 to 850°C in the fixed-bed continuous flow reactor. For the reforming of bio-oil, the yield of hydrogen of 80% was obtained at 750°C, and the maximum carbon conversion is nearly close to 95% under the optimum steam reforming condition. For the reforming of naphtha and CH4, the hydrogen yield and carbon conversion are lower than that of bio-oil at the same temperature. The characteristics of catalyst were also investigated by XPS. The catalyst deactivation was mainly caused by the deposition of carbon in the catalytic steam reforming process.

Yue Pan; Zhao-xiang Wang; Tao Kan; Xi-feng Zhu; Quan-xin Li

2006-01-01T23:59:59.000Z

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


21

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

22

Hydrogen production in Multi-Channel Membrane Reactor via Steam Methane Reforming and Methane Catalytic Combustion  

Science Journals Connector (OSTI)

Abstract A novel Multi-Channel Membrane Reactor (MCMR) was designed and built for the small-scale production of hydrogen via Steam Methane Reforming (SMR). The prototype alternates an SMR gas channel to produce hydrogen catalytically, with a Methane Catalytic Combustion (MCC) gas channel to provide the heat of reaction needed by the endothermic reforming. A palladium–silver membrane inside the reforming gas channel shifts the reaction equilibrium, allowing lower operating temperatures, and producing pure hydrogen in a single vessel. Using an innovative air-spray coating technique, channels were coated with Ru–MgO–La2O3/?-Al2O3 and Pd/?-Al2O3 catalyst particles for the SMR and MCC reactions, respectively. Results for the proof-of-concept MCMR showed that methane conversion in the reformer of 91% and a hydrogen purity in excess of 99.99% were possible with the reformer operating at 570 °C and 15 bar.

Alexandre Vigneault; John R. Grace

2014-01-01T23:59:59.000Z

23

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

E-Print Network (OSTI)

ENGINEERING SCALE UP OF RENEWABLE HYDROGEN PRODUCTION BY CATALYTIC STEAM REFORMING OF PEANUT SHELLS, and academic organizations is developing a steam reforming process to be demonstrated on the gaseous byproducts of this engineering demonstration project. After an initial problem with the heaters that required modification

24

Fundamental Vibration of Molecular Hydrogen  

Science Journals Connector (OSTI)

The fundamental ground tone vibration of H2, HD, and D2 is determined to an accuracy of 2×10-4??cm-1 from Doppler-free laser spectroscopy in the collisionless environment of a molecular beam. This rotationless vibrational splitting is derived from the combination difference between electronic excitation from the X1?g+, v=0, and v=1 levels to a common EF1?g+, v=0 level. Agreement within 1? between the experimental result and a full ab initio calculation provides a stringent test of quantum electrodynamics in a chemically bound system.

G. D. Dickenson; M. L. Niu; E. J. Salumbides; J. Komasa; K. S. E. Eikema; K. Pachucki; W. Ubachs

2013-05-08T23:59:59.000Z

25

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

E-Print Network (OSTI)

recorder 2 ? i2 9 power supply 3 ? Air motor agitator ? Fluidized sand bath 5 ? TC-4B temp. controller 6 ? Quench tank 7 ? Thermometer S ? Pneumatic fail-safe 9 ? Air filter 10 ? Air flow regulator ll ? Condensate trap 12 ? T-reactor system 13... by: Chairman of Commi tee) (Member) (Member) (He d of Devartment) May 1980 ABSTRACT Reaction Rate Kinetics for the Non-Catalytic Hydrogenation of Texas Lignite with Tetralin and Hydrogen Gas. (May 1980) David Allen Shumbera, B. S. , Texas A...

Shumbera, David Allen

2012-06-07T23:59:59.000Z

26

Vibrational States of the Hydrogen Molecular Ion  

Science Journals Connector (OSTI)

The eigenvalues and eigenfunctions of the vibrational states belonging to the ground electronic state of the hydrogen molecular ion have been calculated. The calculations have been done for the J=0, 2, 4, and 7 rotational states. Included is a discussion of the dependence of the eigenvalues as a function of the lowest-order dynamic corrections to the internuclear potential. Also, a calculation has been done to determine the number of bound states of the D2+ system.

Stanley Cohen, John R. Hiskes, and Robert J. Riddell, Jr.

1960-08-01T23:59:59.000Z

27

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

28

Short residence time coal liquefaction process including catalytic hydrogenation  

DOE Patents (OSTI)

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

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

1982-05-18T23:59:59.000Z

29

Electrochemical treatment of human waste coupled with molecular hydrogen production  

E-Print Network (OSTI)

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

Heaton, Thomas H.

30

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

DOE Patents (OSTI)

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

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

1988-01-01T23:59:59.000Z

31

Catalytic hydrogenation unit studies. Topical report No. 4  

SciTech Connect

The ebullated bed hydrotreater at the Advanced Coal Liquefaction R and D Facility in Wilsonville became fully operational during May 1981. This unit was installed to upgrade SRC product, expand the product slate flexibility, and improve hydrogen utilization efficiency. This topical report presents an analysis of the hydrotreater unit operating data from May 1981 (Run 228) to March 1982 (Run 236). During this period, SRC was produced from Kentucky 9 (Fies) coal and from Illinois 6 (Burning Star) coal and was processed using a commercially available cobalt-molybdenum hydrodesulfurizing catalyst manufactured by American Cyanamid Co. (HDS-1442B). The unit was operated over a fairly wide range of space velocities (1.1 to 2.2 lb/hr feed per lb catalyst) and reactor temperatures (650/sup 0/F to 830/sup 0/F). A total of twenty-six unit material balances, under varying operating conditions, were completed during this period. The daily operating and material balance data have been used for analysis and correlation. A three-lump first-order kinetic model has been developed to describe the steadystate behavior of the reactor. A catalyst deactivation model based on intrinsic activity, and rate of loss of this activity (separable decay) is proposed. These models, along with several heuristic correlations, were used to develop a computer simulation program which reasonably predicts product yields, product properties, and hydrogen consumption as a function of several process variables. Also presented is a general discussion of run results, product properties, catalyst selectivity, catalyst deactivation, H-donor activity of hydrotreated products, etc. 25 figures, 18 tables.

Lewis, H.E.

1982-11-01T23:59:59.000Z

32

APPLIED GENETICS AND MOLECULAR BIOTECHNOLOGY Enhanced hydrogen production from glucose  

E-Print Network (OSTI)

(Das and Vezirolu 2001). Use of biological methods of hydrogen production should significantly reduceAPPLIED GENETICS AND MOLECULAR BIOTECHNOLOGY Enhanced hydrogen production from glucose of the metabolically engineered strains, BW25113 hyaB hybC hycA fdoG frdC ldhA aceE, increased hydrogen production 4

Wood, Thomas K.

33

Molecular hydrogen formation during dense interstellar cloud collapse  

Science Journals Connector (OSTI)

......these two methods become identical...molecular hydrogen for two different...computed H2 production rate by physisorption...allow H2 production at even higher...equation method It is convenient...nature of the hydrogen and the fluctuations...these two methods are close...accretion rate of hydrogen on different...used for the production of H2. 3......

Kinsuk Acharyya; Sandip K. Chakrabarti; Sonali Chakrabarti

2005-08-01T23:59:59.000Z

34

A Molecular Dynamics Simulation of Hydrogen Storage with SWNTs  

E-Print Network (OSTI)

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

Maruyama, Shigeo

35

Molecular Simulation of Hydrogen Storage in SWNT ? Shigeo MARUYAMAa  

E-Print Network (OSTI)

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

Maruyama, Shigeo

36

Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation  

E-Print Network (OSTI)

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

Brenner, Donald W.

37

Hydrogen Production From Crude Bio-oil and Biomass Char by Electrochemical Catalytic Reforming  

Science Journals Connector (OSTI)

We reports an efficient approach for production of hydrogen from crude bio-oil and biomass char in the dual fixed-bed system by using the electrochemical catalytic reforming method. The maximal absolute hydrogen yield reached 110.9 g H2/kg dry biomass. The product gas was a mixed gas containing 72%H2, 26%CO2, 1.9%CO, and a trace amount of CH4. It was observed that adding biomass char (a by-product of pyrolysis of biomass) could remarkably increase the absolute H2 yield (about 20%-50%). The higher reforming temperature could enhance the steam reforming reaction of organic compounds in crude bio-oil and the reaction of CO and H2O. In addition, the CuZn-Al2O3 catalyst in the water-gas shift bed could also increase the absolute H2 yield via shifting CO to CO2.

Xing-long Li; Shen Ning; Li-xia Yuan; Quan-xin Li

2011-01-01T23:59:59.000Z

38

Heating of a testing room by use of a hydrogen-fueled catalytic heater  

Science Journals Connector (OSTI)

Space heating experiments were carried out using flameless (catalytic) combustion of hydrogen with atmospheric oxygen on Pt and oxide catalyst pads. The heating rate required for warming of a testing room was calculated and material balance equations for oxygen depletion and steam production were derived. The following parameters have been investigated: 1. (a) change of the oxygen and water vapour contents in the testing room in comparison with the calculated values, 2. (b) the established thermal regime in the testing room is discussed in comparison with conventional heating. The following conclusions are drawn: 1. (1) The hydrogen combustion can be adjusted to produce the desired temperature level, 2. li(2) in order to maintain the oxygen concentration at the comfort level, the free ventilation in the room should be supplemented by short, periodic, forced ventilation, 3. (3) the comfort limits of humidity require the condensation of the surplus water vapour by using a suitable device.

J. Mercea; E. Grecu; T. Fodor

1981-01-01T23:59:59.000Z

39

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

SciTech Connect

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

40

Physisorption of molecular hydrogen on carbon nanotube with vacant defects  

SciTech Connect

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

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

2014-05-28T23:59:59.000Z

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

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

SciTech Connect

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

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

1996-11-01T23:59:59.000Z

42

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

43

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

Science Journals Connector (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 Pt cluster size and its valence state etc) and the different coating parameters (PTFE to Pt-CA ratio and Pt loading on Dixon ring) on volume transfer rate (Ky.a) for H/D reaction. Ky.a values of ?0.8 m3 (STP).s?1. m?3 were obtained for Pt loading of 7% and Pt cluster size of 3 nm at atmospheric pressure.

P. K. Gupta

2013-01-01T23:59:59.000Z

44

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.

45

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

46

Use of Pd membranes in catalytic reactors for steam methane reforming for pure hydrogen production  

Science Journals Connector (OSTI)

This review analyzes publications on experimental studies and mathematical modeling in the field of development of a catalytic reformer (mainly, steam methane conversion) with a fixed catalytic bed. The specif...

A. B. Shigarov; V. D. Meshcheryakov…

2011-10-01T23:59:59.000Z

47

Molecular hydrogen out side the nearinfrared  

E-Print Network (OSTI)

by studies in the mid--IR and the far-- red. 1. Introduction The hydrogen molecule (H 2 ), nature's third the gas, and observation of its emission lines probes the physical processes at work within the ever populated by a radiative cascade from above. Shocks collisionally populate from below. Two other processes

Burton, Michael

48

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

SciTech Connect

An investigation of the effects of surface structure, dispersion, and support on the adsorption, catalytic, and electronic properties of cobalt/alumina is described, the objectives of which are to determine (1) the effects of surface structure and metal dispersion on the adsorption and catalytic properties of cobalt and (2) the effects of decorating support species on metal crystallites and of direct electronic interactions between metal clusters and support, on the adsorption, catalytic and electronic properties of cobalt supported on alumina. During the first year effects of surface structure and dispersion on the adsorption, activity/selectivity, and electronic properties of Co/W single crystal surfaces and alumina-supported cobalt were investigated in a surface science investigation, lab reactor studies, TPD/TPSR studies, and a Moessbauer spectroscopy study. The structure, stability, surface electronic properties, and chemisorptive properties of vapor-deposited cobalt overlayers (0-4 ML) on W(110) and W(100) were studied by Auger electron spectroscopy, low energy electron diffraction, work function changes, and temperature programmed desorption (TPD) of cobalt, hydrogen, and carbon monoxide. The CO chemisorptive properties of the two cobalt overlayers are quite different, CO adsorption being dissociative on the W(100) surface and nondissociative on the W(110) surface; comparison of the results with those for Ni/W(100) indicate that Co/W(100) as a result of electronic interaction with the tungsten substrate. Activities and selectivities of cobalt/alumina catalysts for CO hydrogenation prepared by decomposition of Co/sub 4/(CO)/sub 12/ were determined as functions of metal loading, dispersion, and extent of reduction. Steady-state activity and product molecular weight were found to increase with increasing metal loading (decreasing dispersion and increasing extent of reduction). 10 refs.

Bartholomew, C.H.

1988-08-22T23:59:59.000Z

49

The influence of transition metal ions on the catalytic performance of Ru particles during the liquid phase hydrogenation of benzene to cyclohexene  

Science Journals Connector (OSTI)

The influence of some transition metal ions including Fe2+, Ni2+, Cr3+, Mn2+, Zn2+, Cd2+...on the catalytic performance of Ru particles during the liquid phase partial hydrogenation of benzene to cyclohexene was ...

Yixin Qu; Chengxuan Fang; Chengyang Qian…

2014-04-01T23:59:59.000Z

50

Metascalable quantum molecular dynamics simulations of hydrogen-on-demand  

Science Journals Connector (OSTI)

We enabled an unprecedented scale of quantum molecular dynamics simulations through algorithmic innovations. A new lean divide-and-conquer density functional theory algorithm significantly reduces the prefactor of the O(N) computational ... Keywords: density functional theory, divide-and-conquer, on-demand hydrogen production

Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Kohei Shimamura, Fuyuki Shimojo, Manaschai Kunaseth, Paul C. Messina, Nichols A. Romero

2014-11-01T23:59:59.000Z

51

The Dipole Polarizability of the Hydrogen Molecular Ion  

SciTech Connect

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

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

2009-03-31T23:59:59.000Z

52

Theoretical Determination of the Dissociation Energy of Molecular Hydrogen  

E-Print Network (OSTI)

Theoretical Determination of the Dissociation Energy of Molecular Hydrogen Konrad Piszczatowski and Computational Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway, Department Physics, University of Warsaw, Hoza 69, 00-681 Warsaw, Poland Abstract The dissociation energy

Pachucki, Krzysztof

53

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

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

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

54

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

SciTech Connect

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

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

2013-11-15T23:59:59.000Z

55

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

E-Print Network (OSTI)

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

Maruyama, Shigeo

56

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

SciTech Connect

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

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

2014-06-03T23:59:59.000Z

57

Molecular Dynamics Simulation of Hydrogen Storage with Single Walled Carbon Nanotubes  

E-Print Network (OSTI)

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

Maruyama, Shigeo

58

A Molecular Dynamics Simulation of Hydrogen Storage by SWNTs Tatsuto Kimuraa  

E-Print Network (OSTI)

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

Maruyama, Shigeo

59

Rapid hydrogen production from water using aluminum nanoclusters: A quantum molecular dynamics simulation study  

E-Print Network (OSTI)

Rapid hydrogen production from water using aluminum nanoclusters: A quantum molecular dynamics Available online 31 December 2013 Keywords: Hydrogen production Water Aluminum nanoclusters Quantum molecular dynamics simulation It is hoped that a hydrogen-on-demand generator may one day start with just

Southern California, University of

60

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

E-Print Network (OSTI)

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

Fayer, Michael D.

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

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

SciTech Connect

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

Koji Koyano; Toshimasa Takanohashi; Ikuo Saito [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan). Energy Technology Research Institute

2009-07-15T23:59:59.000Z

62

Catalytic hydrogenation of thiophene to tetrahydrothiophene on various nickel-zeolite catalysts  

Science Journals Connector (OSTI)

It has been established that thiophene hydrogenation to tetrahydrothiophene ( $$P_{H_2 } = 0.1 MPa$$ , T=250°C) is c...

T. P. Voskresenskaya; T. S. Sukhareva

1988-01-01T23:59:59.000Z

63

Design of hydrogen storage alloys with the aid of molecular orbital method  

Science Journals Connector (OSTI)

The electronic structures of hydrogen storage alloys are calculated by the DV-X? molecular orbital method. The results revealed that hydrogen interacts more strongly with hydride-non-forming ... La, Zr, Ti, Mg) i...

H Yukawa; M Takagi; M Morinaga

1999-08-01T23:59:59.000Z

64

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

65

Treatment of \\{VOCs\\} with molecular sieve catalysts in regenerative catalytic oxidizer  

Science Journals Connector (OSTI)

This work prepares molecular sieve catalysts with various metal species and various metal weight loadings by impregnation, and then screens them in a catalytic combustion system. The current study further investigates the molecular sieve catalyst in an RCO system after it performed well in combustion efficiency. This work tests its performances in terms of CO2 yield, pressure drop, the difference between temperatures of the inlet and outlet gases (Td), and thermal recovery efficiency (TRE), with various operational conditions. Experimental results demonstrate that the 10 wt% Cu/(MS) catalyst was the most active because it has the greatest combustion efficiency to treat volatile organic compounds (VOCs) than Co/(MS) catalysts and Mn/(MS) catalysts. The 10 wt% Cu/(MS) catalyst used in an RCO system reaches over 95% CO2 yields under the heating zone temperature (Tset) = 400 °C, gas velocity (Ug) = 0.37 m/s, isopropyl alcohol (IPA) concentration = 200–400 ppm conditions. Moreover, the RCO system performed well in economic efficiency with the RCO with in terms of TRE, Td and pressure drop. The TRE ranged from 90.4% to 94.6% and Td ranged from 14.0 to 34.2 °C under various conditions at Tset = 300–450 °C. Finally, the results of the stability test demonstrated that the catalyst was very stable at various Ug values and various Tset values.

Shih-Wei Huang; Jie-Chung Lou; Yung-Chang Lin

2010-01-01T23:59:59.000Z

66

Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4  

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

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

67

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

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

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

68

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

69

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

SciTech Connect

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

70

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

E-Print Network (OSTI)

High-Capacity Hydrogen Storage in Metal-Free Organic Molecular Crystals Mina Yoon1, 2 and Matthias donor and acceptor molecules as a promising new class of hydrogen storage materials. Using quantum(Tetrathiafulvalene)/TCNQ(7,7,8,8-tetracyanoquinodimethane) become very efficient hydrogen storage media of high gravimetric

71

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

E-Print Network (OSTI)

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

Downs, Robert T.

72

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

SciTech Connect

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

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

1993-12-27T23:59:59.000Z

73

Treatment of an agrochemical wastewater by integration of heterogeneous catalytic wet hydrogen peroxide oxidation and rotating biological contactors  

Science Journals Connector (OSTI)

Abstract The treatment of a non-biodegradable agrochemical wastewater has been studied by coupling of heterogeneous catalytic wet hydrogen peroxide oxidation (CWHPO) and rotating biological contactors (RBCs). The influence of the hydrogen peroxide dosage and the organic content of the wastewater (dilution degree) were studied. The CWHPO of the raw wastewater at 80 °C and using a moderate amount of oxidant (0.23 gH2O2/gTOC) reduced significantly its total organic carbon content and increased its biodegradability. Likewise, the iron leaching of the heterogeneous catalyst (Fe2O3/SBA-15) was less than 2 mg/L in the treated effluent. Under the best operating conditions, the resultant CWHPO effluent was successfully co-treated by rotating biological contactors (RBCs) using a simulated municipal wastewater with different percentages of the CWHPO effluent (2.5, 5 and 10% v/v). The \\{RBCs\\} showed high stability for the treatment of the highest percentage of the CWHPO effluent, achieving total organic carbon (TOC) and total nitrogen (TN) reductions of ca. 78% and 50%, respectively. The integration of both processes on a continuous mode has been successfully accomplished for the treatment of the as-received agrochemical wastewater.

M.I. Pariente; J.A. Siles; R. Molina; J.A. Botas; J.A. Melero; F. Martinez

2013-01-01T23:59:59.000Z

74

Catalytic pressurization of liquid hydrogen fuel tanks for unmanned aerial vehicles  

Science Journals Connector (OSTI)

As the use and applications of Unmanned Aerial Vehicles (UAV) expand the need for a lighter weight fuel allowing for longer duration flights has become the primary limiting factor in the advancement of these vehicles. To extend the operational envelope of UAV onboard condensed hydrogen storage for missions exceeding one week is necessary. Currently large spherical liquid hydrogen tanks that are pressurized with external helium tanks or electronic heating elements are utilized for this purpose. However the mass size and power consumption of the fuel storage tank and fuel pressurization system significantly limit the flight envelope of UAV. In an effort to alleviate these issues this paper investigates the technological feasibility of orthohydrogen-parahydrogen catalysis as a method of fuel pressurization. Typical pressurization requirements for takeoff cruise and landing are reviewed. Calculations of the catalyst system mass and response time are presented.

Jacob Leachman; Melissa Jean Street; Teira Graham

2012-01-01T23:59:59.000Z

75

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

E-Print Network (OSTI)

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

Simons, Jack

76

Production of Hydrogen from Bio-oil Using Low-temperature Electrochemical Catalytic Reforming Approach over CoZnAl Catalyst  

Science Journals Connector (OSTI)

High-efficient production of hydrogen from bio-oil was performed by electrochemical catalytic reforming method over the CoZnAl catalyst. The influence of current on the hydrogen yield, carbon conversion, and products distribution were investigated. Both the hydrogen yield and carbon conversion were remarkably enhanced by the current through the catalyst, reaching hydrogen yield of 70% and carbon conversion of 85% at a lower reforming temperature of 500°C. The influence of current on the properties of the CoZnAl catalyst was also characterized by X-ray diffraction, X-ray photoelectron spectroscopy, thermal gravimetric analysis, and Brunauer-Emmett-Teller measurements. The thermal electrons would play an important role in promoting the reforming reactions of the oxygenated-organic compounds in the bio-oil.

Shao-bin Lin; Tong-qi Ye; Li-xia Yuan; Tao Hou; Quan-xin Li

2010-01-01T23:59:59.000Z

77

Catalytic conversion of methane over a biomass char for hydrogen production: deactivation and regeneration by steam gasification  

Science Journals Connector (OSTI)

Abstract CH4 decomposition over a wood char was investigated as an alternative green catalyst to produce hydrogen from hydrocarbons. Pyrolytic carbon (pyrocarbon) deposition leads to apparent deactivation of the catalyst by pore-mouth plugging. The activity of the carbon bed and its available surface area is easily restored by H2O gasification. The used char with pyrocarbon deposition was even found to be more reactive to gasification than the fresh char used in our conditions. This finding was highlighted by: (i) determination of gasification reaction extents by steam, (ii) temperature-programmed oxidation (TPO) of the fresh, used and reactivated chars, (iii) TPO under Differential Scanning Calorimetry of these chars and demineralised chars. High Resolution Transmission Electron Microscope (HRTEM) analysis of the chars showed different multiscale organisation of the carbon materials (disordered and graphitic mesoporous nanostructures). The fast regeneration of the used char could be attributed to the catalytic effect of the minerals present in the char that are reduced under our conditions of CH4 conversion. The predominant oxidation of the pyrocarbon compared to the char during its regeneration is evidenced through differential annealing (at 1800 °C) followed by XRD analysis. The oxidation of pyrocarbon is faster than the oxidation of the weakly reactive mesoporous carbon in char as shown by the HRTEM analysis. Consequently, wood char is an effective, easy to regenerate, and cheap catalyst for converting hydrocarbons (CH4 or tar) into syngas.

A. Dufour; A. Celzard; V. Fierro; F. Broust; C. Courson; A. Zoulalian; J.N. Rouzaud

2014-01-01T23:59:59.000Z

78

Multiphoton ionization and ion-pair formation in molecular hydrogen  

SciTech Connect

We have investigated both photoionization and ion-pair formation in molecular hydrogen by using double-resonance excitation via the E,F {sup 1}{Sigma}{sub g}{sup +}, v=6 level. The energetic threshold for ion-pair formation occurs just below the H{sub 2}{sup +} X {sup 2}{Sigma}{sub g}{sup +}, v{sup +}=9 ionization. threshold. The spectrum in this region was studied by using both conventional and constant-ionic-state photoelectron spectroscopy, as well as by monitoring the H{sup {minus}} production. The decay dynamics in this region are extremely rich, because excited levels may decay by rotational and vibrational autoionization, by predissociation to neutral H + H* (n=2,3,4), by predissociation to the ion pair H{sup +} + H{sup {minus}}, and by fluorescence. In addition, the dissociative potential curve of the 2p{sigma}{sub u}3s{sigma}{sub g} {sup 1}{Sigma}{sub u}{sup +} doubly excited electronic state crosses the H{sub 2}{sup +} X {sup 2}{Sigma}{sub u}{sup +} potential curve in the same energy region, and the electronic autoionization of this state is found to significantly influence these decay processes.

Pratt, S.T.; McCormack, E.F.; Dehmer, J.L.; Dehmer, P.M.

1992-09-01T23:59:59.000Z

79

Neutral chlorine and molecular hydrogen at high redshift  

E-Print Network (OSTI)

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

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

2015-01-01T23:59:59.000Z

80

ON MOLECULAR HYDROGEN FORMATION AND THE MAGNETOHYDROSTATIC EQUILIBRIUM OF SUNSPOTS  

SciTech Connect

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

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

2012-02-01T23:59:59.000Z

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

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

82

Hydrogenation of Aromatics in Synthetic Crude Distillates Catalyzed by Platinum Supported in Molecular Sieves  

Science Journals Connector (OSTI)

Catalytic hydrogenation of synthetic crude distillates from Canadian oil sands was carried out over platinum metal supported in pillared interlayered clay (PILC) and Y-zeolite. ... Pillared interlayered clay (PILC) was prepared using Accofloc 350, a sodium montmorillonite supplied by American Colloid Co. with a cation-exchange capacity (cec) of 80 mequiv/100 g. ... After stirring overnight, the suspension was cooled and the PILC was centrifuged, washed repeatedly until free of chloride ion, air dried, and ground to <200 mesh. ...

Naoto Kimbara; Jean-Pierre Charland; Michael F. Wilson

1996-11-07T23:59:59.000Z

83

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

E-Print Network (OSTI)

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

Saiz, Leonor

84

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

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

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

85

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

E-Print Network (OSTI)

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

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

2008-06-28T23:59:59.000Z

86

Solar-Powered Production of Molecular Hydrogen from Water  

Science Journals Connector (OSTI)

At the present time, the majority of industrial-scale hydrogen is produced by steam?methane reformation (SMR), even though the high-temperature conversion of methane to hydrogen results in the concomitant production of carbon monoxide and carbon dioxide. ... 7-9 The PV arrays are used to convert solar light to electricity in order to power alkaline (e.g., 27% KOH at pH 14.7) electrolyzers for producing hydrogen gas. ... Narayanan et al. describe a DC-powered hybrid system that drives a methanol fuel cell in reverse,10 while Soler et al. report on a solar-powered photo-Fenton process that produces hydrogen noncatalytically under severe conditions with a limited number of organic substrates. ...

Hyunwoong Park; Chad D. Vecitis; Wonyong Choi; Oleh Weres; Michael R. Hoffmann

2008-01-04T23:59:59.000Z

87

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

Paul Liu

2012-05-01T23:59:59.000Z

88

Aluminosilicates as controlled molecular environments for selective photochemical and catalytic reactions  

SciTech Connect

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

Carrado, K.A.

1986-01-01T23:59:59.000Z

89

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

90

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

E-Print Network (OSTI)

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

Goodman, Wayne

91

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

Swanson, Michael; Henderson, Ann

2012-04-01T23:59:59.000Z

92

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

SciTech Connect

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

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

2014-04-16T23:59:59.000Z

93

Unexpectedly high pressure for molecular dissociation in liquid hydrogen by a reliable electronic simulation  

E-Print Network (OSTI)

The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular dynamics based on the quantum Monte Carlo method, which can describe accurately the electronic correlation and treat a large number of hydrogen atoms, allowing a realistic and reliable prediction of thermodynamic roperties. We find that the molecular liquid phase is unexpectedly stable and the transition towards a fully atomic liquid phase occurs at much higher pressure than previously believed. The old standing problem of low temperature atomization is, therefore, still far from experimental reach.

Mazzola, Guglielmo; Sorella, Sandro

2014-01-01T23:59:59.000Z

94

Is the dissociation of coronene in stellar winds a source of molecular hydrogen? application to the HD 44179 nebula  

Science Journals Connector (OSTI)

......source of molecular hydrogen? application to...even numbers of hydrogen atoms and the detection...Polfer 2012) or H2 production from PAH fragmentation...2 EXPERIMENT AND METHODS The experimental...The low rate of production of cations is compensated...electron in the hydrogen atom. In Fig......

J.-P. Champeaux; P. Moretto-Capelle; P. Cafarelli; C. Deville; M. Sence; R. Casta

2014-01-01T23:59:59.000Z

95

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

E-Print Network (OSTI)

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

96

Metal nanoparticles in catalytic polymer membranes and ion-exchange systems for advanced purification of water from molecular oxygen  

Science Journals Connector (OSTI)

Methods of synthesis of metal nanoparticles and metal/polymer nanocomposites including ion-exchange materials are considered. The effect of the composition and size of nanoparticles on their catalytic activity is analyzed. Attention is focused on the composites used in catalytic processes, namely, catalytic membranes and ion-exchange systems. The problems associated with the removal of dissolved oxygen from water by means of such composites are discussed. The bibliography includes 225 references.

V V Volkov; T A Kravchenko; Vyacheslav I Roldughin

2013-01-01T23:59:59.000Z

97

Solar-Powered Electrochemical Oxidation of Organic Compounds Coupled with the Cathodic Production of Molecular Hydrogen  

Science Journals Connector (OSTI)

Solar-Powered Electrochemical Oxidation of Organic Compounds Coupled with the Cathodic Production of Molecular Hydrogen ... The volume percent of the headspace was calculated assuming that it was directly proportional to the ion current measured by the mass spectrometer and that the transfer of all gases through the membrane and their 70 eV electron ionization cross-sections were approximately equivalent. ... In addition, even if hydrogen is mixed with carbon dioxide, CO2 can be readily removed just by chemical absorption process (e.g., flowing carbon dioxide gas through amine solution), which is a typical CO2 separation process in gas turbine power plants. ...

Hyunwoong Park; Chad D. Vecitis; Michael R. Hoffmann

2008-07-26T23:59:59.000Z

98

Molecular dynamics of gas phase hydrogen-bonded complexes  

E-Print Network (OSTI)

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

Wofford, Billy Alan

2012-06-07T23:59:59.000Z

99

Thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations  

Science Journals Connector (OSTI)

We study the thermophysical properties of warm dense hydrogen by using quantum molecular dynamics simulations. Results are presented for the pair distribution functions, the equation of state, and the Hugoniot curve. From the dynamic conductivity, we derive the dc electrical conductivity and the reflectivity. We compare with available experimental data and predictions of the chemical picture. In particular, we discuss the nonmetal-to-metal transition, which occurs at about 40 GPa in the dense fluid.

Bastian Holst, Ronald Redmer, and Michael P. Desjarlais

2008-05-09T23:59:59.000Z

100

Role of material structure on molecular diffusion of hydrogen in a-Si:C:H films  

SciTech Connect

The authors used Fourier Transform Infra-Red (FTIR) analysis of bi-layers of plasma-grown hydrogenated amorphous silicon-carbide films to investigate the role of the material structure in the hydrogen diffusion process. In the bi-layers one layer was deposited using CH{sub 4}/SiH{sub 4} and in the other layer CD{sub 4}/SiD{sub 4} was applied. The carbon concentration was 20 at.%. In previous work they showed, using Elastic Recoil Detection (ERD) and Thermal Desorption Spectrometry (TDS), that the hydrogen moves molecular through these films in the temperature range 325 < T < 450 C. Using FTIR they obtained information about the number of Si-H and Si-D bonds and their change upon annealing. The FTIR data indicate a structural change during annealing. A comparison with the TDS spectra led them to the conclusion that at higher temperatures the out-diffusion of hydrogen stops because of the hindrance of the molecular transport.

Ullersma, E.H.C.; Inia, D.K.; Habraken, F.H.P.M.; Van Sark, W.G.J.H.M.; Van der Weg, W.F.; Westerduin, K.T.; Van Veen, A.

1997-07-01T23:59:59.000Z

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.


101

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

E-Print Network (OSTI)

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

Wood, Brandon C. (Brandon Christopher)

2007-01-01T23:59:59.000Z

102

Quantum Monte Carlo Simulation of the High-Pressure Molecular-Atomic Crossover in Fluid Hydrogen  

Science Journals Connector (OSTI)

A first-order liquid-liquid phase transition in high-pressure hydrogen between molecular and atomic fluid phases has been predicted in computer simulations using ab initio molecular dynamics approaches. However, experiments indicate that molecular dissociation may occur through a continuous crossover rather than a first-order transition. Here we study the nature of molecular dissociation in fluid hydrogen using an alternative simulation technique in which electronic correlation is computed within quantum Monte Carlo methods, the so-called coupled electron-ion Monte Carlo method. We find no evidence for a first-order liquid-liquid phase transition.

Kris T. Delaney; Carlo Pierleoni; D. M. Ceperley

2006-12-06T23:59:59.000Z

103

Hydrogen  

Science Journals Connector (OSTI)

Hydrogen energy is a clean or inexhaustible energy like renewable energy and nuclear energy. Today’s energy supply has a considerable impact on the environment. Hydrogen energy is a promising alternative solut...

2009-01-01T23:59:59.000Z

104

Porous Clays and Pillared Clays-Based Catalysts. Part 2: A Review of the Catalytic and Molecular Sieve Applications  

Science Journals Connector (OSTI)

Metal oxide pillared clay (PILC) possesses several interesting properties, such as ... /metal oxide pillars. These unique characteristics make PILC an attractive material in catalytic reactions. It...5..., 5 1998...

Z. Ding; J.T. Kloprogge; R.L. Frost; G.Q. Lu; H.Y. Zhu

2001-12-01T23:59:59.000Z

105

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

SciTech Connect

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

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

2013-12-14T23:59:59.000Z

106

Trapping of molecular hydrogen at surfaces via translational-rotational energy conversion  

Science Journals Connector (OSTI)

Using electron-energy-loss spectroscopy (EELS) intensities of rotational transitions and work-function changes as monitors, we show that molecular hydrogen gases, thermal ortho-para H2 mixture, para-H2, D2, and HD, adsorbing on a cold Cu(100) surface have different sticking coefficients. The relative sticking coefficients and the relative populations of ortho- and para-H2 on the surface, as estimated by EELS, can be understood on the basis of a trapping mechanism involving conversion of center-of-mass kinetic energy into rotational energy.

S. Andersson and J. Harris

1983-01-01T23:59:59.000Z

107

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

E-Print Network (OSTI)

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

KuÂ?el, Petr

108

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

SciTech Connect

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

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

2013-02-07T23:59:59.000Z

109

Effect of Ni/Al atomic ratio of mesoporous Ni–Al2O3 aerogel catalysts on their catalytic activity for hydrogen production by steam reforming of liquefied natural gas (LNG)  

Science Journals Connector (OSTI)

Mesoporous Ni–Al2O3 (XNiAE) aerogel catalysts with different Ni/Al atomic ratio (X) were prepared by a single-step sol-gel method and a subsequent CO2 supercritical drying method. The effect of Ni/Al atomic ratio of mesoporous \\{XNiAE\\} aerogel catalysts on their physicochemical properties and catalytic activity for steam reforming of liquefied natural gas (LNG) was investigated. Textural properties and chemical properties of \\{XNiAE\\} catalysts were strongly influenced by Ni/Al atomic ratio. Nickel species were highly dispersed on the surface of \\{XNiAE\\} catalysts through the formation of surface nickel aluminate phase. In the steam reforming of LNG, both LNG conversion and hydrogen yield showed volcano-shaped curves with respect to Ni/Al atomic ratio. Average nickel diameter of \\{XNiAl\\} catalysts was well correlated with LNG conversion and hydrogen yield over the catalysts. Among the catalysts tested, 0.35NiAE (Ni/Al = 0.35) catalyst with the smallest average nickel diameter showed the best catalytic performance. The highest surface area, the largest pore volume, the largest average pore size, and the highest reducibility of 0.35NiAE catalyst were also partly responsible for its superior catalytic performance.

Jeong Gil Seo; Min Hye Youn; Yongju Bang; In Kyu Song

2010-01-01T23:59:59.000Z

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

Molecular Hydrogen bubbles formation on thin vacuum deposited Aluminum layers after proton irradiation  

E-Print Network (OSTI)

Metals are the most common materials used in space technology. Metal structures, while used in space, are subjected to the full spectrum of the electromagnetic radiation together with particle irradiation. Hence, they undergo degradation. Future space missions are planned to proceed in the interplanetary space, where the protons of the solar wind play a very destructive role on metallic surfaces. Unfortunately, their real degradation behavior is to a great extent unknown. Our aim is to predict materials' behavior in such a destructive environment. Therefore both, theoretical and experimental studies are performed at the German Aerospace Center (DLR) in Bremen, Germany. Here, we report the theoretical results of those studies. We examine the process of H2-bubble formation on metallic surfaces. H2-bubbles are metal caps filled with Hydrogen molecular gas resulting from recombination processes of the metal free electrons and the solar protons. A thermodynamic model of the bubble growth is presented. Our model pr...

Sznajder, Maciej

2014-01-01T23:59:59.000Z

112

Superionicity in the hydrogen storage material Li2NH: Molecular dynamics simulations  

Science Journals Connector (OSTI)

We have employed ab initio molecular dynamics simulations in an attempt to study a temperature-induced order-disorder structural phase transformation that occurs in Li2NH at about 385 K. A structural phase transition was observed by us in the temperature range 300–400 K, in good agreement with experiment. This transition is associated with a melting of the cation sublattice (Li+), giving rise to a superionic phase, which in turn is accompanied by an order-disorder transition of the N-H bond orientation. The results obtained here can contribute to a better understanding of the hydrogen storage reactions involving Li2NH and furthermore broaden its possible technological applications toward batteries and fuel cells.

C. Moysés Araújo; Andreas Blomqvist; Ralph H. Scheicher; Ping Chen; Rajeev Ahuja

2009-05-08T23:59:59.000Z

113

Using molecular orbital calculations to describe the phase behavior of hydrogen-bonding fluids  

SciTech Connect

The authors have used Hartree-Fock theory and density functional theory to compute the enthalpy and entropy changes of dimerization for water, methanol, and the family of carboxylic acids. These results are used in a physical equation of state, the statistical associating fluid theory (SAFT), in order to model the phase behavior of these hydrogen-bonding compounds. A procedure has been developed to relate the calculated enthalpy and entropy changes to the association parameters in SAFT using only low-pressure data, as well as to relate molar volumes from molecular orbital calculations to the segment size and chain length parameters in SAFT. By doing so, the SAFT model is reduced to a three-parameter equation of state for associating fluids. The modified equation of state is shown to be as accurate as the original SAFT model for correlating pure-component vapor-liquid equilibrium data with fewer adjustable parameters.

Wolbach, J.P.; Sandler, S.I. [Univ. of Delaware, Newark, DE (United States)] [Univ. of Delaware, Newark, DE (United States)

1997-10-01T23:59:59.000Z

114

Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car–Parrinello Molecular Dynamics and Vibrational Spectroscopy Study  

Science Journals Connector (OSTI)

Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car–Parrinello Molecular Dynamics and Vibrational Spectroscopy Study ... Our focus was on the part of vibrational spectra that corresponds to histamine N–H stretching, since these degrees of freedom are essential for its interactions with either water molecules or transporters and receptors. ... The resulting vibrational power spectrum is presented in Figure 9. ...

Jernej Stare; Janez Mavri; Jože Grdadolnik; Jernej Zidar; Zvonimir B. Maksi?; Robert Vianello

2011-04-25T23:59:59.000Z

115

Catalytic distillation extends its reach  

SciTech Connect

Since the early 1980s, catalytic distillation processes have been selected by more than a hundred operators for various applications. Since such a unit performs both reaction and distillation simultaneously, a combined column can replace a separate, fixed-bed reactor and distillation column, thereby eliminating equipment and reducing capital costs. And, compared to the conventional approach, catalytic distillation may also improve other factors, such as reactant conversion, selectivity, mass transfer, operating pressure, oligomer formation and catalyst fouling. The constant washing of the catalyst by liquid flowing down the column and the distillation of high-boiling foulants results in extended catalyst life. Four selective hydrogenation applications of catalytic distillation are discussed: Butadiene selective hydrogenation combined within an MTBE unit; Pentadiene selective hydrogenation; C{sub 4} acetylene conversion; and Benzene saturation.

Rock, K.; McGuirk, T. [Catalytic Distillation Technologies, Houston, TX (United States); Gildert, G.R. [Catalytic Distillation Technologies, Pasadena, TX (United States)

1997-07-01T23:59:59.000Z

116

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

SciTech Connect

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

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

2013-08-01T23:59:59.000Z

117

Hydrogen Bonding Interactions Between Ions: A Powerful Tool in Molecular Crystal Engineering  

Science Journals Connector (OSTI)

Hydrogen bonding interactions are the strongest of the non-covalent interactions and are highly directional (hence transportable and reproducible). With respect to hydrogen bonds between neutral molecules the hyd...

Dario Braga; Lucia Maini; Marco Polito…

2004-01-01T23:59:59.000Z

118

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

SciTech Connect

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

Bartholomew, C.H. Jr.

1986-12-22T23:59:59.000Z

119

The use of molecular orbital calculations to describe the phase behavior of hydrogen-bonding mixtures  

SciTech Connect

In previous studies, the authors have used Hartree-Fock theory and density functional theory to compute the enthalpy and entropy changes of dimerization for methanol and a number of small carboxylic acids. They have shown that by using these results in a physical equation of state, the statistical associating fluid theory (SAFT), they are able to model the phase behavior of these pure hydrogen-bonding compounds with a reduction in the number of adjustable parameters; in this study, they use the pure-component parameters derived from the results of the molecular orbital calculations to describe the phase behavior of mixtures containing one associating and one nonassociating compound, again using the SAFT equation of state. They show that the use of the pure-component SAFT parameters derived from the quantum-mechanical calculations results in correlations of mixture VLE data with no loss of accuracy, and frequently with improved accuracy, compared to the original parameters reported for use with the SAFT model.

Wolbach, J.P.; Sandler, S.I. [Univ. of Delaware, Newark, DE (United States)

1997-07-01T23:59:59.000Z

120

The interstellar carbonaceous aromatic matter as a trap for molecular hydrogen  

Science Journals Connector (OSTI)

......the interstellar hydrogen trapped as H2 on...effective in the production of H2 in the ISM...interaction with atomic hydrogen has been extensively...post-Hartree-Fock methods, such as configuration...Moller-Plesset (MP) methods, which are often...it should be for hydrogen storage purposes......

F. Pauzat; M. Lattelais; Y. Ellinger; C. Minot

2011-04-21T23:59:59.000Z

Note: This page contains sample records for the topic "molecular catalytic hydrogenation" from the National Library of EnergyBeta (NLEBeta).
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121

Simulation of millisecond catalytic partial oxidation of methane in a monolithic reactor for the production of hydrogen using finite element methods.  

E-Print Network (OSTI)

??Hydrogen can be the key solution of all our energy needs in the future and to face climate change while reducing greenhouse gases. Syngas, H… (more)

Flynn, Julie.

2006-01-01T23:59:59.000Z

122

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

E-Print Network (OSTI)

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

Nordlund, Kai

123

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

SciTech Connect

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

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

2014-04-28T23:59:59.000Z

124

Hydrogen-Bonding Structure and Dynamics of Aqueous Carbonate Species from Car?Parrinello Molecular Dynamics Simulations  

Science Journals Connector (OSTI)

A comprehensive Car?Parrinello molecular dynamics (CP-MD) study of aqueous solutions of carbonic acid (H2CO3), bicarbonate (HCO3?), carbonate (CO32?), and carbon dioxide (CO2) provides new quantitative insight into the structural and dynamic aspects of the hydrogen-bonding environments for these important aqueous species and their effects on the structure, H-bonding, and dynamical behavior of the surrounding water molecules. ... The power spectra of the carbonate species were calculated as Fourier transforms of their velocity autocorrelation functions over the 14 ps production trajectories of the CP-MD simulations. ... The first solvation shell of the anion was found to contain between five and six hydrogen bonded water mols., compared to the six to seven waters found in analogous classical studies based on empirical potentials. ...

P. Padma Kumar; Andrey G. Kalinichev; R. James Kirkpatrick

2008-12-24T23:59:59.000Z

125

Molecular simulation studies of metal organic frameworks focusing on hydrogen purification   

E-Print Network (OSTI)

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

Banu, Ana Maria

2014-06-30T23:59:59.000Z

126

Hydrogen transfer in transformations of olefin and thiophene compounds for the refining of gasoline fractions  

Science Journals Connector (OSTI)

Abstract Hydrogen transfer reactions in the transformations of mixtures of model hydrocarbons (hydrogen donors and acceptors) on zeolite catalysts were studied. Hydrogen donors were represented by various classes of hydrocarbons, and acceptors—by unsaturated (olefin) and thiophene compounds. The [H]-donor activity series of hydrocarbons was revealed. Strong differences in the transformation pathways of 1-hexene and 1-octene under the conditions of catalytic refining were demonstrated. A new method for the refining of low-rank gasoline fractions was proposed. The method is based on the hydrogen transfer reactions between hydrogen donor hydrocarbons and hydrogen acceptor hydrocarbons, which proceed without molecular hydrogen. The proposed method allows the simultaneous removal of sulfur (more than 95%) and unsaturated (more than 90%) compounds.

Oleg V. Potapenko; Vladimir P. Doronin; Tatyana P. Sorokina; Vladimir A. Likholobov

2014-01-01T23:59:59.000Z

127

An iron complex with pendant amines as a molecular electrocatalyst for oxidation of hydrogen  

SciTech Connect

Addressing the worldwide problems of escalating energy demand and increasing emissions of CO2 requires an increase in utilization of carbon-neutral, sustainable energy sources. Electrocatalysts are needed for conversion between chemical energy (bonds such as the H-H bond of hydrogen) and electricity in future systems for storage and use of energy. Hydrogen is an attractive energy carrier, but a major barrier to more widespread use of hydrogen is the need for efficient, inexpensive catalysts. Electricity is produced from oxidation of hydrogen in low-temperature fuel cells, but the best catalyst is platinum, a precious metal of low abundance.1 Here we show that a synthetic iron complex is a catalyst for the oxidation of hydrogen. A burgeoning effort by chemists studying many areas of catalysis has focused on "Cheap Metals for Noble Tasks."2 Iron is particularly attractive because of its very high earth-abundance along with its low cost and toxicity, leading Bolm to suggest the advent of a "new iron age."3 Our results demonstrate that rationally designed catalysts based on abundant, inexpensive metals offer substantial promise as alternatives to precious metal catalysts. We thank the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, for support of this research. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Liu, Tianbiao L.; DuBois, Daniel L.; Bullock, R. Morris

2013-02-17T23:59:59.000Z

128

Molecular models for the intercalation of hydrogen molecules into modified graphites  

SciTech Connect

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

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

1995-12-01T23:59:59.000Z

129

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

130

Electrokinetic Hydrogen Generation from Liquid Water Microjets  

E-Print Network (OSTI)

Electrochemical hydrogen production methods are quiteonly causative hydrogen production method. Although the massa method for the production of molecular hydrogen from

Duffin, Andrew M.; Saykally, Richard J.

2007-01-01T23:59:59.000Z

131

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

132

Catalytic Coherence  

Science Journals Connector (OSTI)

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

Johan Åberg

2014-10-07T23:59:59.000Z

133

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

E-Print Network (OSTI)

Ocola, B.S., Universidad Nacional de Ingenier?a, Per?; M.S., Cornell University Chair of Advisory Committee: Dr. Jaan Laane The molecular conformations, potential energy functions and vibrational spectra of several cyclic molecules have been...

Ocola, Esther

2012-02-14T23:59:59.000Z

134

Recognizing molecular patterns by machine learning: an agnostic structural definition of the hydrogen bond  

E-Print Network (OSTI)

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

Gasparotto, Piero

2014-01-01T23:59:59.000Z

135

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

136

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

E-Print Network (OSTI)

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

Hammes-Schiffer, Sharon

137

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

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

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

138

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

E-Print Network (OSTI)

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

Firestone, Jeremy

139

Turing Water into Hydrogen Fuel  

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

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...

140

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

SciTech Connect

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

Wall, Judy D. [University of Missouri-Columbia

2014-12-23T23:59:59.000Z

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

Hydrogen Permeation Barrier Coatings  

SciTech Connect

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

Henager, Charles H.

2008-01-01T23:59:59.000Z

142

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

143

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)

144

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

145

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

146

Herschel Survey of Galactic OH+, H2O+, and H3O+: Probing the Molecular Hydrogen Fraction and Cosmic-Ray Ionization Rate  

E-Print Network (OSTI)

In diffuse interstellar clouds the chemistry that leads to the formation of the oxygen bearing ions OH+, H2O+, and H3O+ begins with the ionization of atomic hydrogen by cosmic rays, and continues through subsequent hydrogen abstraction reactions involving H2. Given these reaction pathways, the observed abundances of these molecules are useful in constraining both the total cosmic-ray ionization rate of atomic hydrogen (zeta_H) and molecular hydrogen fraction, f(H2). We present observations targeting transitions of OH+, H2O+, and H3O+ made with the Herschel Space Observatory along 20 Galactic sight lines toward bright submillimeter continuum sources. Both OH+ and H2O+ are detected in absorption in multiple velocity components along every sight line, but H3O+ is only detected along 7 sight lines. From the molecular abundances we compute f(H2) in multiple distinct components along each line of sight, and find a Gaussian distribution with mean and standard deviation 0.042+-0.018. This confirms previous findings t...

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

2014-01-01T23:59:59.000Z

147

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

SciTech Connect

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

Somorjai, G.A.

2009-09-14T23:59:59.000Z

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

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

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

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

150

Hydrogen peroxide safety issues  

SciTech Connect

A literature survey was conducted to review the safety issues involved in handling hydrogen peroxide solutions. Most of the information found in the literature is not directly applicable to conditions at the Rocky Flats Plant, but one report describes experimental work conducted previously at Rocky Flats to determine decomposition reaction-rate constants for hydrogen peroxide solutions. Data from this report were used to calculate decomposition half-life times for hydrogen peroxide in solutions containing several decomposition catalysts. The information developed from this survey indicates that hydrogen peroxide will undergo both homogeneous and heterogeneous decomposition. The rate of decomposition is affected by temperature and the presence of catalytic agents. Decomposition of hydrogen peroxide is catalyzed by alkalies, strong acids, platinum group and transition metals, and dissolved salts of transition metals. Depending upon conditions, the consequence of a hydrogen peroxide decomposition can range from slow evolution of oxygen gas to a vapor, phase detonation of hydrogen peroxide vapors.

Conner, W.V.

1993-04-14T23:59:59.000Z

151

Rich catalytic injection  

DOE Patents (OSTI)

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

Veninger, Albert (Coventry, CT)

2008-12-30T23:59:59.000Z

152

Cumene by catalytic distillation  

SciTech Connect

Catalytic distillation, a combination of catalytic reaction and distillation in a single column, has several advantages when used in a process to make cumene from benzene and propylene. An extremely high purity cumene is obtained in high yield. The catalytic distillation principle was used in an earlier process to make MTBE. A unit, started up up in Houston refinery in 1981, operated successfully for four years. Since then, three other MTBE units of this design have gone into service.

Shoemaker, J.D.; Jones, E.M. Jr.

1987-06-01T23:59:59.000Z

153

Hydrogen Storage by Polylithiated Molecules and Nanostructures  

Science Journals Connector (OSTI)

Hydrogen Storage by Polylithiated Molecules and Nanostructures ... (3) Physisorption offers the possibility of storing hydrogen in molecular form. ... Also given in Table 1 are the hydrogen binding energies, which are calculated by subtracting the total energy of the hydrogenated polylithiated molecules from the sum of the total energies of the isolated polylithiated molecules and the hydrogen molecules, divided by the number of hydrogen molecules. ...

Süleyman Er; Gilles A. de Wijs; Geert Brocks

2009-04-29T23:59:59.000Z

154

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

155

Catalytic distillation structure  

SciTech Connect

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

156

Production of Ultracold Trapped Molecular Hydrogen Ions P. Blythe, B. Roth, U. Frohlich, H. Wenz, and S. Schiller  

E-Print Network (OSTI)

hydrogen ions H2 , H3 , and all their deuterated variants to temperatures of a few mK in a radio to these studies. Several alternative methods to produce cold and ultra- cold molecules have emerged recently

Schiller, Stephan

157

"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

158

Photoluminescence from GaAs nanodisks fabricated by using combination of neutral beam etching and atomic hydrogen-assisted molecular beam epitaxy regrowth  

SciTech Connect

We have fabricated GaAs nanodisk (ND) structures by using a combination of neutral beam etching process and atomic hydrogen-assisted molecular beam epitaxy regrowth. We have observed clear photoluminescence (PL) emissions from GaAs NDs. The peak energy showed a blueshift due to the quantum confinement in three spatial dimensions, and it agreed with the theoretically estimated transition energy. The PL results also showed that the cap-layer disks act as radiative recombination centers. We have confirmed that the PL emission originates from the GaAs NDs, and our approach is effective for the fabrication of high quality ND structures.

Kaizu, Toshiyuki; Okada, Yoshitaka [Research Center for Advanced Science and Technology, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8904 (Japan); Japan Science and Technology Agency, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo 102-0075 (Japan); Tamura, Yosuke; Igarashi, Makoto; Hu, Weiguo; Tsukamoto, Rikako [Japan Science and Technology Agency, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo 102-0075 (Japan); Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Yamashita, Ichiro [Japan Science and Technology Agency, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo 102-0075 (Japan); Graduate School of Materials Science, Nara Institute of Science and Technology, 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Samukawa, Seiji [Japan Science and Technology Agency, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo 102-0075 (Japan); Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); WPI Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

2012-09-10T23:59:59.000Z

159

Renewable Chemical Commodity Feedstocks from Integrated Catalytic Processing of Pyrolysis Oils  

Science Journals Connector (OSTI)

...hydrogen is from large steam reformers and...amounts of undesired methane are produced, which...such as by the reforming of biomass-derived...aqueous-phase reforming of biomass-derived...Survey of the Economics of Hydrogen Technologies...Hydrogen from catalytic reforming of biomass-derived...

Tushar P. Vispute; Huiyan Zhang; Aimaro Sanna; Rui Xiao; George W. Huber

2010-11-26T23:59:59.000Z

160

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

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

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

162

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

163

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

164

Catalytic Combustion Processes  

Science Journals Connector (OSTI)

This work presents experimental data on the effect of catalytic additives on the combustion characteristics of ammonium nitrate and perchlorate and the explosives of different classes. Burning rates are determ...

A. P. Glaskova

1991-01-01T23:59:59.000Z

165

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

166

Regenerative catalytic oxidation  

SciTech Connect

Currently Regenerative Thermal Oxidizers (R.T.O.`s) are an accepted technology for the control of volatile organic compounds (VOC`s) and hazardous air pollutants (HAP`s). This control technology, when introduced, offered substantial reductions in operating costs, especially auxiliary fuel requirements when compared to existing control technologies such as recuperative thermal and recuperative catalytic oxidizers. While these savings still exist, there is a demand for control of new and/or hybrid technologies, one of which is Regenerative Catalytic Oxidizers (R.C.O.`s). This paper will explore the development of regenerative catalytic oxidation from the theoretical stage through pilot testing through a commercial installation. The operating cost of R.C.O.`s will be compared to R.T.O.`s to verify the savings that are achievable through the use of regenerative catalytic oxidation. In the development of this technology, which is a combination of two (2) existing technologies, R.T.O.`s and catalysis, a second hybrid technology was explored and pilot tested. This is a combination R.C.O. for VOC and HAP control and simultaneous SCR (Selective Catalytic Reduction) for NOx (Oxides of Nitrogen) control. Based on the pilot and full scale testing, both regenerative catalytic oxidizers and systems which combine R.C.O. with SCR for both VOC and NOx reduction are economically viable and are in fact commercially available. 6 figs., 2 tabs.

Gribbon, S.T. [Engelhard Process Emission Systems, South Lyon, MI (United States)

1996-12-31T23:59:59.000Z

167

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

E-Print Network (OSTI)

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

Grujicic, Mica

168

Size Dependence of Atomically Precise Gold Nanoclusters in Chemoselective Hydrogenation and Active Site Structure  

SciTech Connect

We here investigate the catalytic properties of water-soluble Aun(SG)m nanocluster catalysts (H-SG = glutathione) of different sizes, including Au15(SG)13, Au18(SG)14, Au25(SG)18, Au38(SG)24, and captopril-capped Au25(Capt)18 nanoclusters. These Aun(SR)m nanoclusters (-SR represents thiolate generally) are used as homogeneous catalysts (i.e., without supports) in the chemoselective hydrogenation of 4-nitrobenzaldehyde (4-NO2PhCHO) to 4-nitrobenzyl alcohol (4-NO2PhCH2OH) in water with H2 gas (20 bar) as the hydrogen source. These nanocluster catalysts, except Au18(SG)14, remain intact after the catalytic reaction, evidenced by UV-vis spectra which are characteristic of each sized nanoclusters and thus serve as spectroscopic fingerprints . We observe a drastic size-dependence and steric effect of protecting ligands on the gold nanocluster catalysts in the hydrogenation reaction. Density functional theory (DFT) modeling of the 4-nitrobenzaldehyde adsorption shows that both the CHO and NO2 groups are in close interact with the S-Au-S staples on the gold nanocluster surface; the adsorption of the 4-nitrobenzaldehyde molecule on the four different sized Aun(SR)m nanoclusters are moderately strong and similar in strength. The DFT results suggest that the catalytic activity of the Aun(SR)m nanoclusters is primarily determined by the surface area of the Au nanocluster, consistent with the observed trend of the conversion of 4-nitrobenzaldehyde versus the cluster size. Overall, this work offers the molecular insight into the hydrogenation of 4-nitrobenzaldehyde and the catalytically active site structure on gold nanocluster catalysts.

Li, Gao [Carnegie Mellon University (CMU); Jiang, Deen [ORNL; Kumar, Santosh [Carnegie Mellon University (CMU); Chen, Yuxiang [Carnegie Mellon University (CMU); Jin, Rongchao [Carnegie Mellon University (CMU)

2014-01-01T23:59:59.000Z

169

Catalytic nanoporous membranes  

DOE Patents (OSTI)

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

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

2013-08-27T23:59:59.000Z

170

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...

171

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

SciTech Connect

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

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

2012-05-20T23:59:59.000Z

172

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

173

Solving the Non-Born-Oppenheimer Schrödinger Equation for the Hydrogen Molecular Ion with the Free Complement Method. II. Highly Accurate Electronic, Vibrational, and Rotational Excited States  

Science Journals Connector (OSTI)

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

Hiroyuki Nakashima; Yuh Hijikata; Hiroshi Nakatsuji

2013-01-01T23:59:59.000Z

174

Hydrogen-mediated quenching of strain-induced surface roughening during gas-source molecular beam epitaxy of fully-coherent Si0.7Ge0.3  

E-Print Network (OSTI)

Hydrogen-mediated quenching of strain-induced surface roughening during gas-source molecular beam of thickness t at temperatures, Ts 450­550 °C, for which strain-induced roughening is observed during solid scientific and technological reasons. Predicting and minimizing sur- face roughening is required

Spila, Timothy P.

175

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

E-Print Network (OSTI)

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

Muiño, Ricardo Díez

176

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

E-Print Network (OSTI)

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

Muiño, Ricardo Díez

177

Hydrogen from Post-Consumer Residues  

E-Print Network (OSTI)

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

178

Oxidation of 5-hydroxymethylfurfural to 2,5-diformylfuran with molecular oxygen in the presence of N-hydroxyphthalimide  

Science Journals Connector (OSTI)

Abstract Catalytic system Cu(NO3)2/NHPI can be successfully used for the mild oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran with molecular oxygen. The oxidation reaction takes place at 50 °C and 1 atm O2 and selectively converts the primary hydroxymethyl group of HMF to the aldehyde one. The selective formation of aromatic aldehyde is observed because of the higher rate of hydrogen abstraction from primary alcohols by the phthalimide-N-oxyl radical, as compared to the rate of the hydrogen abstraction from the aldehydes.

M.O. Kompanets; O.V. Kushch; Yu.E. Litvinov; O.L. Pliekhov; K.V. Novikova; A.O. Novokhatko; A.N. Shendrik; A.V. Vasilyev; I.O. Opeida

2014-01-01T23:59:59.000Z

179

Calculation of intermediate-energy electron-impact ionization of molecular hydrogen and nitrogen using the paraxial approximation  

SciTech Connect

We have implemented the paraxial approximation followed by the time-dependent Hartree-Fock method with a frozen core for the single impact ionization of atoms and two-atomic molecules. It reduces the original scattering problem to the solution of a five-dimensional time-dependent Schroedinger equation. Using this method, we calculated the multifold differential cross section of the impact single ionization of the helium atom, the hydrogen molecule, and the nitrogen molecule from the impact of intermediate-energy electrons. Our results for He and H{sub 2} are quite close to the experimental data. Surprisingly, for N{sub 2} the agreement is good for the paraxial approximation combined with first Born approximation but worse for pure paraxial approximation, apparently because of the insufficiency of the frozen-core approximation.

Serov, Vladislav V. [Department of Theoretical Physics, Saratov State University, 83 Astrakhanskaya, Saratov 410012 (Russian Federation)

2011-12-15T23:59:59.000Z

180

Hydrogen Highways  

E-Print Network (OSTI)

adequate on-board hydrogen storage is essential, and remainsjustify their costs. Hydrogen storage remains an importantto 10,000 psi, liquid hydrogen storage, and other solid and

Lipman, Timothy

2005-01-01T23:59:59.000Z

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.


181

Accelerated Molecular Dynamics Methods  

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

This presentation on Accelerated Molecular Dynamics Methods was given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006.

182

Measurement of charge exchange cross sections for highly charged xenon and thorium ions with molecular hydrogen in a Penning Ion Trap  

SciTech Connect

Highly charged xenon (35+ to 46+) and thorium (72+ to 79+) ions were produced in an Electron Beam Ion Trap (EBIT). The ions were extracted from EBIT in a short pulse. Ions of one charge state were selected using an electromagnet. The ions were recaptured at low energy in a cryogenic Penning trap (RETRAP). As the ions captured electrons from molecular hydrogen, populations of the various charge states were obtained by measuring the image currents induced by the ions on the electrodes of the trap. Data on the number of ions in each charge state vs. time were compared to theoretical rate equations in order to determine the average charge exchange rates. These rates were compared to charge exchange rates of an ion with a known charge exchange cross section (Ar{sup 11+}) measured in a similar manner in order to determine the average charge exchange cross sections for the highly charged ions. The energy of interaction between the highly charged ions and hydrogen was estimated to be 4 eV in the center of mass frame. The mean charge exchange cross sections were 9 {times} 10{sup {minus}14} cm{sup 2} for Xe{sup 43+} to Xe{sup 46+} and 2 {times} 10{sup {minus}13} cm{sup 2} for Th{sup 73+} to Th{sup 79+}. Double capture was approximately 20--25% of the total for both xenon and thorium. A fit indicated that the cross sections were approximately proportional to q. This is consistent with a linear dependence of cross section on q within the measurement uncertainties.

Weinberg, G.M.

1995-12-01T23:59:59.000Z

183

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

184

DFT studies of Indium Nanoclusters (Inn where n=3-10) and Nanotube and their interaction with molecular hydrogen  

E-Print Network (OSTI)

Density functional theory calculations have been performed on Indium nanoclusters (Inn, n= 3 to 10) to explore the relative stability among their different isomers and interaction with H2. Geometry optimizations starting from initial candidate geometries were performed for each cluster size, so as to determine a few low energy isomers for each size. Clusters with planar configuration and high symmetry are found to be more stable. For n=8 there comes transition from 2D to 3D structures, which formed by stacking of planar rings are most stable. Energetically favorable isomers of indium nanoclusters for each size were considered to get H2 adsorbed. In general H2 interaction with these clusters is week but with odd index i.e. 5, 7 and 9 is significant. Indium nanotube also indicates H2 adsorption but Eads increases many folds on introduction of defect in the tube. On basis of these DFT studies we propose indium nanotubes and clusters of particular size appear to be good candidate for hydrogen storage materials.

Baig, Mirza Wasif; Ahmad, Idrees; Siddiq, Muhammad

2014-01-01T23:59:59.000Z

185

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

186

Production of renewable jet fuel range alkanes and commodity chemicals from integrated catalytic  

E-Print Network (OSTI)

, carbohydrate hydrolysis and dehydration, and catalytic upgrading of platform chemicals. The technology centersProduction of renewable jet fuel range alkanes and commodity chemicals from integrated catalytic and subsequently upgrading these two platforms into a mixture of branched, linear, and cyclic alkanes of molecular

California at Riverside, University of

187

Engineering a Unimolecular DNA-Catalytic Probe for Single Lead Ion Monitoring  

E-Print Network (OSTI)

Engineering a Unimolecular DNA-Catalytic Probe for Single Lead Ion Monitoring Hui Wang, Youngmi Kim reactions. These catalytic DNAs, or DNAzymes, can be activated by metal ions. In this paper, we take advantage of DNA molecular engineering to improve the properties of DNAzymes by designing a unimolecular

Tan, Weihong

188

Catalytic synthesis of tetrahydrothiophenes  

Science Journals Connector (OSTI)

It has been established that the liquid-phase hydrogenation of thiophene and its alkyl derivatives in the presence of metallic or sulfurized palladium catalysts provides preparative yields of tetrahydrothiophene ...

A. A. Zirka; R. S. Sagitullin; R. M. Masagutov…

1984-01-01T23:59:59.000Z

189

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). The Hydrogen Delivery Technical Team is one of 12 U.S. DRIVE technical teams ("tech teams") whose mission

190

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

191

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

SciTech Connect

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

192

E-Print Network 3.0 - atp catalytic domain Sample Search Results  

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

domain Search Powered by Explorit Topic List Advanced Search Sample search results for: atp catalytic domain Page: << < 1 2 3 4 5 > >> 1 Encyclopedia of Molecular Biology Thomas E....

193

E-Print Network 3.0 - atp catalytic cycle Sample Search Results  

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

cycle Search Powered by Explorit Topic List Advanced Search Sample search results for: atp catalytic cycle Page: << < 1 2 3 4 5 > >> 1 Encyclopedia of Molecular Biology Thomas E....

194

Catalytic ozonation of phenol in water with natural brucite and magnesia  

Science Journals Connector (OSTI)

Natural brucite and magnesia were applied as catalysts in catalytic ozonation of phenol in this work. It was found that both brucite and magnesia had remarkable accelerations on degradation of phenol and removal of COD in water. On this basis, effective and feasible routes for catalytic ozonation of phenol in water were proposed. The influence of initial pH value, radical scavengers and reaction temperature were investigated. The results revealed that there were different ozonation mechanisms in two systems: molecular ozone direct oxidation mechanism was proved in catalytic ozonation with brucite, and hydroxyl radical mechanism was demonstrated to play a main role in catalytic ozonation with magnesia.

Kun He; Yu Ming Dong; Zhen Li; Lin Yin; Ai Min Zhang; Yi Chun Zheng

2008-01-01T23:59:59.000Z

195

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

196

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

197

Cumene by Catalytic Distillation  

SciTech Connect

The novel concept of Catalytic Distillation has been commercialized in the CRandL MTBE process, in which combined reaction and distillation provide energy savings over conventional processes. This concept has now been extended to production of cumene from benzene and propylene. In this case the advantages of the technique are not only energy savings but significant reductions in by-product losses and capital requirements. In this paper the development of the process is discussed and the economics of commercial operation are presented.

Jones, E.M.; Mawer, J.

1986-01-01T23:59:59.000Z

198

Effects of thermal pretreatment (removal of steric hindrance) on subsequent nuclear hydrogenation of heavy alkylaromatics  

SciTech Connect

The changes in structures by thermal pretreatment of heavy alkylaromatics, which are very difficult to nuclear hydrogenate, and the effects of the pretreatment on subsequent nuclear hydrogenation were investigated in comparison with catalytic pretreatment of the same feedstock. The following results were obtained: (1) the structures of the thermally pretreated products are quite different from those of the catalytically pretreated ones; (2) subsequent nuclear hydrogenation of the thermally pretreated products becomes much easier because the steric hindrance is removed; (3) in the case where the same feedstock was catalytically pretreated, the products were difficult to nuclear hydrogenate. These results suggest various applications, including heavy oil hydrotreating.

Kubo, Junichi [Nippon Oil Co., Ltd., Yokohama (Japan). Central Technical Research Lab.] [Nippon Oil Co., Ltd., Yokohama (Japan). Central Technical Research Lab.

1996-01-01T23:59:59.000Z

199

Novel Catalytic Membrane Reactors  

SciTech Connect

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

200

Plasma-assisted catalytic ionization using porous nickel plate  

SciTech Connect

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

Oohara, W.; Maeda, T.; Higuchi, T. [Department of Electronic Device Engineering, Yamaguchi University, Ube 755-8611 (Japan)

2011-09-15T23:59:59.000Z

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


201

Hydrogen’s Potential  

Science Journals Connector (OSTI)

Estimates of future demand for non-fossil produced hydrogen and of its potential are oriented toward ... to the environment as the present fossil energy economy [10.4, 10.9].

J. Nitsch; C. Voigt

1988-01-01T23:59:59.000Z

202

5, 35333559, 2005 Catalytic conversion  

E-Print Network (OSTI)

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

Paris-Sud XI, Université de

203

Catalytic multi-stage process for hydroconversion and refining hydrocarbon feeds  

DOE Patents (OSTI)

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

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

2001-01-01T23:59:59.000Z

204

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

205

Nuclear Hydrogen  

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

Error Error Nuclear Hydrogen - RCC cannot be displayed due to a timeout error. We recommend: * Refresh Nuclear Hydrogen - RCC * Increasing your portlet timeout setting. *...

206

Fluid catalytic cracking of heavy petroleum fractions  

SciTech Connect

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

McHenry, K.W.

1981-06-30T23:59:59.000Z

207

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

208

Quantum Confinement in Hydrogen Bond  

E-Print Network (OSTI)

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

Santos, Carlos da Silva dos; Ricotta, Regina Maria

2015-01-01T23:59:59.000Z

209

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

210

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

SciTech Connect

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

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

1986-07-03T23:59:59.000Z

211

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.

212

Hydrogen storage in molecular compounds  

Science Journals Connector (OSTI)

...have application for energy storage. We synthesized...automobiles, is very energy intensive; up to 40% of the energy content must be spent...concerns and logistical obstacles. Other storage methods, including...satellites of the outer solar system...

Wendy L. Mao; Ho-kwang Mao

2004-01-01T23:59:59.000Z

213

Catalytic steam gasification of coals  

Science Journals Connector (OSTI)

Catalytic steam gasification of coals ... Steam–Coal Gasification Using CaO and KOH for in Situ Carbon and Sulfur Capture ... Steam–Coal Gasification Using CaO and KOH for in Situ Carbon and Sulfur Capture ...

P. Pereira; G. A. Somorjai; H. Heinemann

1992-07-01T23:59:59.000Z

214

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

E-Print Network (OSTI)

developed the technology for bio- oil to hydrogen via catalytic steam reforming and shift conversion-Tech, the National Renewable Energy Laboratory has demonstrated the production of hydrogen from biomass at a flow ratio of 1.5:1 was used as a carrier gas and also as a reactant in the reformer. The test

215

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

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

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

216

The catalytic oxidation of propane  

E-Print Network (OSTI)

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

Sanderson, Charles Frederick

2013-10-04T23:59:59.000Z

217

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

E-Print Network (OSTI)

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

Cai, Laizhong

2008-01-01T23:59:59.000Z

218

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

E-Print Network (OSTI)

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

Alavi, Ali

219

Liquid Hydrogen Delivery - Strategic Directions for Hydrogen...  

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

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

220

Nuclear magnetic resonance studies of hydrogen in amorphous silicon  

SciTech Connect

Proton and deuteron NMR in hydrogenated amorphous silicon yield quantitative measures of species-specific structural configurations and their dynamics. Populations of silicon-bonded and molecular hydrogens correlate with photovoltaic quality, doping, illumination/dark anneal sequences, and with infrared and other characterizations. High quality films contain substantial populations of nanovoid-trapped molecular hydrogen.

Norberg, R.E.; Fedders, P.A.; Leopold, D.J. [Washington Univ., St. Louis, MO (United States). Dept. of Physics

1996-12-31T23:59:59.000Z

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.


221

Catalytic destruction of groundwater contaminants in reactive extraction wells  

DOE Patents (OSTI)

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

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

2002-01-01T23:59:59.000Z

222

Catalytic production of metal carbonyls from metal oxides  

DOE Patents (OSTI)

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

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

1984-01-06T23:59:59.000Z

223

Enhanced Hydrogen Dipole Physisorption, Final Report  

SciTech Connect

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

Ahn, Channing

2014-01-03T23:59:59.000Z

224

Hydrogen Analysis  

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

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

225

Hydrogen Storage  

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

On-board hydrogen storage for transportation applications continues to be one of the most technically challenging barriers to the widespread commercialization of hydrogen-fueled vehicles. The EERE...

226

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.

227

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

DOE Patents (OSTI)

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

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

2014-01-07T23:59:59.000Z

228

Hydrogen Cryomagnetics  

E-Print Network (OSTI)

% cryogenics (inc. MRI) 29% pressurisation and purging 11%controlled atmospheres (inc. breathing) 6% 4     Figure 5. Simplified price-cost, supply-demand relationship that is central to the helium market model developed during the Helium Resources... of hydrogen large amounts of hydrogen must be available for liquefaction. This poses problems for the production of liquid hydrogen via intermittent wind energy and via microwave plasma reactors that are not scalable as a result of low hydrogen production...

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

2014-01-01T23:59:59.000Z

229

Catalytic hydrogenation of an aromatic sulfonyl chloride into thiophenol  

E-Print Network (OSTI)

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

Rouckout, Nicolas Julien

2009-05-15T23:59:59.000Z

230

Catalytic Modification of Polymers: Hydrogenation Routes to Amine Functional Materials  

E-Print Network (OSTI)

water treatment Hair care products Ion exchange resin Paper sizing Motor oil additives Applications including ion exchange resin, waste water treatment, paper sizing cosmetic products, pharmaceutical and polyvinylpyrimidines are water soluble and highly hygroscopic. Block copolymers possessing vinylpyridine segments were

231

Hydrogen Production by Catalytic Gasification of Coal in Supercritical Water  

Science Journals Connector (OSTI)

(2) However, the extensive utilization of coal leads to many problems, such as air pollution and resource waste, because of the inefficient and unclean utilization method. ... Argon would sink to the bottom of the reactor, and air would come up because of the difference in density between these two gases. ...

Rihua Lan; Hui Jin; Liejin Guo; Zhiwei Ge; Simao Guo; Ximin Zhang

2014-10-16T23:59:59.000Z

232

Theoretical Design by First Principles Molecular Dynamics of a Bioinspired Electrode?Catalyst System for Electrocatalytic Hydrogen Production from Acidified Water  

Science Journals Connector (OSTI)

Our study is based on Car?Parrinello (CP)(26) FPMD simulations of the [FeFe]H cluster in a liquid-water environment with or without hydronium ions. ... To achieve these results, we have employed the first principles molecular dynamics method at an advanced level of system complexity and have illustrated thereby the utility and power of FPMD for molecular design. ...

Federico Zipoli; Roberto Car; Morrel H. Cohen; Annabella Selloni

2010-09-29T23:59:59.000Z

233

Graphene Oxide as an Ideal Substrate for Hydrogen Storage  

Science Journals Connector (OSTI)

Graphene Oxide as an Ideal Substrate for Hydrogen Storage ... Organometallic nanomaterials hold the promise for molecular hydrogen (H2) storage by providing nearly ideal binding strength to H2 for room-temperature applications. ... graphene oxide; titanium anchoring; hydrogenation; hydrogen storage; first-principles computations ...

Lu Wang; Kyuho Lee; Yi-Yang Sun; Michael Lucking; Zhongfang Chen; Ji Jun Zhao; Shengbai B. Zhang

2009-09-22T23:59:59.000Z

234

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

235

Hydrogen-free domestic technologies for conversion of low-octane gasoline distillates on zeolite catalysts  

Science Journals Connector (OSTI)

This review is devoted to the problem of the Russian domestic manufacture of high-quality motor fuels using hydrogen-free catalytic conversion of straight-run gasoline on zeolites with a high content of...

L. M. Velichkina

2009-08-01T23:59:59.000Z

236

Control of Hydrogen Photoproduction by the Proton Gradient Generated by Cyclic Electron Flow in Chlamydomonas reinhardtii  

Science Journals Connector (OSTI)

...reduction of protons into molecular hydrogen in algae (Florin et al., 2001...developing clean and sustainable hydrogen economy (Ghirardi et al., 2000; Melis...2005a). The main limitation to hydrogen production is considered to result...

Dimitri Tolleter; Bart Ghysels; Jean Alric; Dimitris Petroutsos; Irina Tolstygina; Danuta Krawietz; Thomas Happe; Pascaline Auroy; Jean-Marc Adriano; Audrey Beyly; Stéphan Cuiné; Julie Plet; Ilja M. Reiter; Bernard Genty; Laurent Cournac; Michael Hippler; Gilles Peltier

2011-07-15T23:59:59.000Z

237

Some general laws of the hydrogenation of carbon monoxide on metals  

SciTech Connect

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

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

1988-01-01T23:59:59.000Z

238

Recent Advances in Catalytic Conversion of Ethanol to Chemicals  

SciTech Connect

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

Sun, Junming; Wang, Yong

2014-04-30T23:59:59.000Z

239

Understanding ammonia selective catalytic reduction kinetics...  

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

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

240

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

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

Enhanced hydrogen storage properties of LiAlH4 catalyzed by CoFe2O4 nanoparticles  

E-Print Network (OSTI)

Enhanced hydrogen storage properties of LiAlH4 catalyzed by CoFe2O4 nanoparticles Ziliang Li The catalytic effects of CoFe2O4 nanoparticles on the hydrogen storage properties of LiAlH4 prepared by ball of advanced hydrogen storage materials for safely storing it at high gravimetric and volumetric densities.4

Volinsky, Alex A.

242

Effects of Current upon Electrochemical Catalytic Reforming of Anisole  

Science Journals Connector (OSTI)

The reforming of anisole (as model compound of bio-oil) was performed over the NiCuZn-Al2O3 catalyst, using a recently-developed electrochemical catalytic reforming (ECR). The influence of the current on the anisole reforming in the ECR process has been investigated. It was observed that anisole reforming was significantly enhanced by the current approached over the catalyst in the electrochemical catalytic process, which was due to the non-uniform temperature distribution in the catalytic bed and the role of the thermal electrons originating from the electrified wire. The maximum hydrogen yield of 88.7% with a carbon conversion of 98.3% was obtained through the ECR reforming of anisole at 700°C and 4 A. X-ray diffraction was employed to characterize catalyst features and their alterations in the anisole reforming. The apparent activation energy for the anisole reforming is calculated as 99.54 kJ/mol, which is higher than ethanol, acetic acid, and light fraction of bio-oil. It should owe to different physical and chemical properties and reforming mechanism for different hydrocarbons.

Jia-xing Xiong; Tao Kan; Xing-long Li; Tong-qi Ye; Quan-xin Li

2010-01-01T23:59:59.000Z

243

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

244

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

245

Visualizing a Catalyst at Work during the Ignition of the Catalytic Partial Oxidation of Methane  

Science Journals Connector (OSTI)

Ignitions or light-offs of heterogeneously catalyzed oxidation reactions are a special challenge for operando studies on catalytic reactors, which have gained increasing attention for the identification of active sites of catalysts and optimal reactor design. ... One of these reactions is the catalytic partial oxidation (CPO) of hydrocarbons to carbon monoxide and hydrogen, which is considered an important alternative to presently utilized processes in natural gas and biomass conversion such as steam and autothermal reforming. ... In conclusion, we demonstrate that the ignition of heterogeneously catalyzed chemical reactions can be visualized in a spatiotemporal manner by means of synchrotron radiation based high resolution transmission X-ray absorption imaging combined with IR thermography. ...

Bertram Kimmerle; Jan-Dierk Grunwaldt; Alfons Baiker; Pieter Glatzel; Pit Boye; Sandra Stephan; Christian G. Schroer

2009-01-29T23:59:59.000Z

246

Molecular engineering of oligomerization and metabolite channeling through a molecular tunnel of carbamoyl phosphate synthetase  

E-Print Network (OSTI)

pairs of allosteric domains. No significant dependence of the specific catalytic activity on the protein concentration could be detected. The molecular tunnel within CPS was inspected in order to characterize the role on kinetic properties. Gln-22, Ala...

Kim, Jungwook

2004-09-30T23:59:59.000Z

247

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

SciTech Connect

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

248

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

SciTech Connect

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

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

2013-06-20T23:59:59.000Z

249

Hydrogen storage materials and method of making by dry homogenation  

DOE Patents (OSTI)

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

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

2002-01-01T23:59:59.000Z

250

Catalytic ignition of fuel/oxygen/nitrogen mixtures over platinum  

SciTech Connect

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

Cho, P.; Law, C.K.

1986-11-01T23:59:59.000Z

251

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

252

Hydrogen-induced magnetization and tunable hydrogen storage in graphitic structures  

Science Journals Connector (OSTI)

Hydrogen interactions with undefective and defective graphitic structures were investigated by first-principles simulations. Structural vacancies were identified to promote the dissociation of molecular hydrogen with a reduced activation barrier of 0.63eV, compared to 2.38eV for a perfect graphene. However, the vacancies bind the hydrogen too strongly for spill-over mechanisms to be effective. An isolated vacancy in a graphene can bind four hydrogen atoms, but a metastable and magnetic structure binds six hydrogen atoms at the vacancy site at room temperature. The thermodynamics, magnetic properties, and hydrogen binding energies vary with graphene layer spacing. A metastable structure becomes energetically favorable for a layer spacing of 3.19Å, while the binding of hydrogen becomes exothermic at a layer spacing of 2.72Å. This phenomenon suggests the possibility of using hydrogen-rich carbon structures for reversible magnetic and hydrogen storage applications.

Yang Lei; Stephen A. Shevlin; Wenguang Zhu; Zheng Xiao Guo

2008-04-24T23:59:59.000Z

253

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

DOE Patents (OSTI)

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

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

2011-03-08T23:59:59.000Z

254

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

SciTech Connect

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

255

Hydrogenases and Hydrogen Metabolism of Cyanobacteria  

Science Journals Connector (OSTI)

...lowers the potential solar energy conversion efficiencies...molecular hydrogen from solar energy and water by using...several individual projects, two major international...International Energy Agency; http...direct conversion of solar energy (114...

Paula Tamagnini; Rikard Axelsson; Pia Lindberg; Fredrik Oxelfelt; Röbbe Wünschiers; Peter Lindblad

2002-03-01T23:59:59.000Z

256

Molecular Beam Epitaxy, Multi-source | EMSL  

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

fundamental insight into water splitting for hydrogen... Self-corrected Sensors Based On Atomic Absorption Spectroscopy For Atom Flux Measurements In Molecular Beam Epitaxy. A...

257

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

SciTech Connect

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

Borole, A.P.

2006-08-22T23:59:59.000Z

258

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.

259

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

E-Print Network (OSTI)

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

Khumsubdee, Sakunchai

2013-11-05T23:59:59.000Z

260

Hydrogen Liquefaction  

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

Liquid Hydrogen is 0.2% Ortho, 99.8% Para 3 Liquid Supply North America 250+ TPD Capacity Diverse Feedstocks Chlor-Alkali SMR Petro-chem Market...

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

Hydrogen Storage  

Science Journals Connector (OSTI)

Hydrogen is an important energy carrier, and when used as a fuel, can be considered as an alternate to the major fossil fuels, coal, crude oil, and natural gas, and their derivatives. It has the potential to b...

Prof. Dr. Robert A. Huggins

2010-01-01T23:59:59.000Z

262

Hydrogen energy  

Science Journals Connector (OSTI)

...use of hydrogen as an energy carrier will depend significantly...its utilization and conversion to electricity/heat...becomes an alternative energy carrier. However, various...effectively with conventional energy conversion technologies. The...

2007-01-01T23:59:59.000Z

263

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

264

Bifunctional Catalysts for the Selective Catalytic Reduction...  

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

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

265

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

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

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

266

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

267

The reaction kinetics of gasoline sulfur compounds: Catalytic mechanisms for sulfur reduction  

SciTech Connect

One of the key elements of reformulated gasoline is the reduction of the sulfur compounds produced by fluid catalytic cracking. This paper probes the reaction kinetics of refractory gasoline-range thiophene derivatives (thiophene, tetrahydrothiophene, and alkylthiophenes) in an effort to determine the mechanisms of sulfur compound cracking in the FCC unit. The gasoline-range sulfur compounds were analyzed using gas chromatography with an atomic emission detector. The authors` results show that the FCC catalysts affects the cracking of sulfur compounds through both hydrogen transfer and zeolite pore restriction mechanisms. An experimental FCC catalyst is shown to reduce gasoline sulfur content in the Davidson Circulating Riser (DCR{sup TM}) pilot unit. Model compound tests show that the activity of the catalyst is due to both its catalytic and adsorptive properties. Tetrahydrothiophene, which is produced from thiophenes by hydrogen transfer, is completely removed by the experimental catalyst.

Harding, R.H.; Gatte, R.R.; Albro, T.G.; Wormsbecher, R.F. [W.R. Grace & Co. Conn, Columbia, MD (United States)

1993-12-31T23:59:59.000Z

268

Catalytic steam reforming of hydrocarbons  

SciTech Connect

The hot effluent from the catalytic steam reforming of a major portion of a fluid hydrocarbon feed stream in the reformer tubes of a primary reformer, or said effluent after secondary reforming thereof, is mixed with the hot effluent from the catalytic steam reforming of the remaining portion of the feed discharged from the reformer tubes of a primary reformer-exchanger. The combined gas steam is passed on the shell side of the reformer-exchanger countercurrently to the passage of feed in the reformer tubes thereof, thus supplying the heat for the reforming of the portion of the feed passed through the reformer tubes of the reformerexchanger. At least about 2/3 of the hydrocarbon feed stream is passed to the reformer tubes of said primary reformer, heated by radiant heat transfer and/or by contact with combustion gases, at a steam/hydrocarbon mole ratio of about 2-4/1. The remainder of said feed stream is passed to the reformer tubes of said reformer -exchanger at a steam/hydrocarbon mole ratio of about 3-6/1. The reformer shell of the reformer-exchanger is internally insulated by a refractory lining or by use of a double shell with passage of water or a portion of the feed material between the inner and outer shells. There is no significant difference between the pressure inside and outside of the reformer tubes of said primary reformer-exchanger.

Fuderer, A.

1982-06-29T23:59:59.000Z

269

On the control of carbon nanostructures for hydrogen storage applications  

E-Print Network (OSTI)

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

Rochefort, Alain

270

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

271

Heterogeneous catalytic wet peroxide oxidation of phenol over delaminated Fe–Ti-PILC employing microwave irradiation  

Science Journals Connector (OSTI)

Delaminated Fe-exchanged Ti-pillared interlayered montmorillonite (Fe–Ti-PILC) was prepared and its catalytic performance as heterogeneous catalyst in wet hydrogen peroxide oxidation of phenol employing microwave irradiation was firstly evaluated. The obtained results indicated that the application of the catalyst allows a comparatively high removal of COD and a total elimination of phenol under mild conditions, without obvious leaching of iron species. The introduction of microwave irradiation could greatly shorten the reaction time.

Jian Guo Mei; Shao Ming Yu; Jun Cheng

2004-01-01T23:59:59.000Z

272

Hydrogen program overview  

SciTech Connect

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

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

1997-12-31T23:59:59.000Z

273

Utilization of char from biomass gasification in catalytic applications  

E-Print Network (OSTI)

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

274

Active Hydrogen  

Science Journals Connector (OSTI)

Dry hydrogen can be activated in an electric discharge if the pressure and voltage are carefully regulated. Active hydrogen reduces metallic sulphides whose heat of formation is 22 000 cal. or less. The active gas is decomposed by 3 cm of well packed glass wool. A quantitative method is given for the determination of active hydrogen. Less of the active gas is formed in a tube coated with stearic acid or phosphoric acid than when no coating is employed. The decay reaction was found to follow the expression for a unimolecular reaction. The rate of decay appears to be independent of the wall surface. The period of half?life at room temperature and 40 mm pressure is 0.2 sec. approximately. The energy of formation of active hydrogen is approximately 18 000 cal. The energy of activation for the decay of the active constituent is approximately 17 800 cal. The properties of active hydrogen are considered in relation to the properties predicted for H3.

A. C. Grubb; A. B. Van Cleave

1935-01-01T23:59:59.000Z

275

Chapter 22 - Heterogeneous Catalytic Reduction for Water Purification: Nanoscale Effects on Catalytic Activity, Selectivity, and Sustainability  

Science Journals Connector (OSTI)

Reductive catalysis is a promising water treatment technology that employs heterogeneous metal catalysts (e.g., Pd nanoparticles on a support) to convert dihydrogen to adsorbed atomic hydrogen in order to promote reactions with functional groups in various contaminants. Reductive catalysis has several potential advantages, including high selectivity for a given target, fast rates under mild conditions, and low production of harmful by-products. The technology has been applied mostly for remediation of groundwater contaminated with halogenated hydrocarbons and for treatment of nitrate, but recent studies have expanded the range of target contaminants to include perchlorate and N-nitrosamines. Palladium-based catalysts hold tremendous promise for their ability to selectively destroy several drinking water contaminants, and some compounds that exhibit slow reaction kinetics with Pd alone are rapidly degraded when a second, promoter metal is added to the catalyst. However, there is a lack of information about the long-term sustainability of these catalytic treatment processes, which is a major consideration in their possible adoption for remediation applications. Recent research has focused on the nanoscale characterization of these heterogeneous catalysts in order to develop an improved understanding of their mechanisms of deactivation and the pathways for regeneration. Two examples of studies from the authors’ laboratories, involving (i) hydrodehalogenation of iodinated X-ray contrast media with Ni or Pd catalysts and (ii) selective reduction of nitrate with a regenerable Pd-In/alumina catalyst, are discussed in this chapter.

Timothy J. Strathmann; Charles J. Werth; John R. Shapley

2014-01-01T23:59:59.000Z

276

Plasma catalytic reforming of methane  

Science Journals Connector (OSTI)

Thermal plasma technology can be efficiently used in the production of hydrogen and hydrogen-rich gases from methane and a variety of fuels. This article describes progress in plasma reforming experiments and calculations of high temperature conversion of methane using heterogeneous processes. The thermal plasma is a highly energetic state of matter that is characterized by extremely high temperatures (several thousand degrees Celsius), and a high degree of dissociation and a substantial degree of ionization. The high temperatures accelerate the reactions involved in the reforming process. Hydrogen-rich gas (40% H2, 17% CO2 and 33% N2, for partial oxidation/water shifting) can be efficiently made in compact plasma reformers. Experiments have been carried out in a small device (2–3 kW) and without the use of efficient heat regeneration. For partial oxidation/water shifting, it was determined that the specific energy consumption in the plasma reforming processes is 16 MJ/kg H2 with high conversion efficiencies. Larger plasmatrons, better reactor thermal insulation, efficient heat regeneration and improved plasma catalysis could also play a major role in specific energy consumption reduction and increasing the methane conversion. A system has been demonstrated for hydrogen production with low CO content (?1.5%) with power densities of ?30 kW (H2 HHV)/l of reactor, or ?10 m3/h H2 per liter of reactor. Power density should further increase with increased power and improved design.

L Bromberg; D.R Cohn; A Rabinovich; N Alexeev

1999-01-01T23:59:59.000Z

277

Carbon Dioxide Conversion to Valuable Chemical Products over Composite Catalytic Systems  

SciTech Connect

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

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

2013-05-01T23:59:59.000Z

278

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

279

Hydrogen Technologies Group  

SciTech Connect

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

280

Hydrogen | Open Energy Information  

Open Energy Info (EERE)

Sector List of Hydrogen Incentives Hydrogen Energy Data Book Retrieved from "http:en.openei.orgwindex.php?titleHydrogen&oldid271963...

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

The Hype About Hydrogen  

E-Print Network (OSTI)

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

Mirza, Umar Karim

2006-01-01T23:59:59.000Z

282

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

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

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

283

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

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

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

284

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

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

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

285

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

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

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

286

Molecular surgical synthesis of H2@C60: recollections  

Science Journals Connector (OSTI)

...surgery|molecular hydrogen|endohedral fullerene...containing molecular hydrogen, H2@C60, made by...methodology for the production of endohedral fullerene...hard-to-control physical methods such as arc discharge...even for a pressurized hydrogen molecule to go through...

2013-01-01T23:59:59.000Z

287

Catalytic Hydrothermal Gasification of Biomass  

SciTech Connect

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

288

Catalytic converter with thermoelectric generator  

SciTech Connect

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

Parise, R.J.

1998-07-01T23:59:59.000Z

289

Hydrogen catalysis and scavenging action of Pd-POSS nanoparticles  

SciTech Connect

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

290

Hydrogen and Hydrogen-Storage Materials  

Science Journals Connector (OSTI)

Currently, neutron applications in the field of hydrogen and hydrogen-storage materials represent a large and promising research ... relevant topics from this subject area, including hydrogen bulk properties (con...

Milva Celli; Daniele Colognesi; Marco Zoppi

2009-01-01T23:59:59.000Z

291

Reactivity and migration of hydrogen in a-Si:H  

SciTech Connect

Tight-binding molecular dynamics calculations reveal a new mechanism for hydrogen diffusion in hydrogenated amorphous silicon. Hydrogen diffuses through the network by successively bonding with nearby silicon and breaking their Si-Si bonds. The diffusing hydrogen carried with it a newly created dangling bond. These intermediate transporting states are densely populated in the network and have lower energies than H at the center of stretched Si-Si bonds.

Biswas, R.; Li, Q.; Pan, B.C.; Yoon, Y.

1997-07-01T23:59:59.000Z

292

Effective hydrogen storage in single-wall carbon nanotubes  

Science Journals Connector (OSTI)

The hydrogen-storage behavior of single-wall carbon nanotubes was studied using molecular dynamics simulations and ab initio electronic calculations. Hydrogen atoms with kinetic energy of 16–25 eV were observed to penetrate into and be trapped inside the tube. Consecutively injected H atoms form hydrogen molecules, and gradually condense to become liquid hydrogen in the tube. The density of injected hydrogen in the tube and the pressure on the wall of the nanotube induced by the stored hydrogen molecules were evaluated at room temperature.

Yuchen Ma; Yueyuan Xia; Mingwen Zhao; Ruijin Wang; Liangmo Mei

2001-03-02T23:59:59.000Z

293

Plasma catalytic reforming of methane  

SciTech Connect

Thermal plasma technology can be efficiently used in the production of hydrogen and hydrogen-rich gases from methane and a variety of fuels. This paper describes progress in plasma reforming experiments and calculations of high temperature conversion of methane using heterogeneous processes. The thermal plasma is a highly energetic state of matter that is characterized by extremely high temperatures (several thousand degrees Celsius) and high degree of dissociation and substantial degree of ionization. The high temperatures accelerate the reactions involved in the reforming process. Hydrogen-rich gas (50% H{sub 2}, 17% CO and 33% N{sub 2}, for partial oxidation/water shifting) can be efficiently made in compact plasma reformers. Experiments have been carried out in a small device (2--3 kW) and without the use of efficient heat regeneration. For partial oxidation/water shifting, it was determined that the specific energy consumption in the plasma reforming processes is 16 MJ/kg H{sub 2} with high conversion efficiencies. Larger plasmatrons, better reactor thermal insulation, efficient heat regeneration and improved plasma catalysis could also play a major role in specific energy consumption reduction and increasing the methane conversion. A system has been demonstrated for hydrogen production with low CO content ({approximately} 1.5%) with power densities of {approximately} 30 kW (H{sub 2} HHV)/liter of reactor, or {approximately} 10 m{sup 3}/hr H{sub 2} per liter of reactor. Power density should further increase with increased power and improved design.

Bromberg, L.; Cohn, D.R.; Rabinovich, A. [Massachusetts Inst. of Technology, Cambridge, MA (United States). Plasma Science and Fusion Center; Alexeev, N. [Russian Academy of Sciences, Moscow (Russian Federation). Baikov Inst. of Metallurgy

1998-08-01T23:59:59.000Z

294

Hydrogen Energy System and Hydrogen Production Methods  

Science Journals Connector (OSTI)

Hydrogen is being considered as a synthetic fuel ... . This paper contains an overview of the hydrogen production methods, those being commercially available today as well...

F. Barbir; T. N. Veziro?lu

1992-01-01T23:59:59.000Z

295

Hydrogen Production from Thermocatalytic Hydrogen Sulfide Decomposition  

Science Journals Connector (OSTI)

Experimental data on hydrogen production from hydrogen sulfide decomposition over various solid catalysts at ... The possibilities given by surface modification by vacuum methods (electron beam evaporation and ma...

O. K. Alexeeva

2002-01-01T23:59:59.000Z

296

Why Hydrogen? Hydrogen from Diverse Domestic Resources  

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

Overview of the U.S. DOE Hydrogen, Fuel Cells and Infrastructure Technologies Program, including technical targets and research and development needs for hydrogen storage and delivery.

297

Hydrogen Analysis Group  

SciTech Connect

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

298

The Hype About Hydrogen  

E-Print Network (OSTI)

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

Mirza, Umar Karim

2006-01-01T23:59:59.000Z

299

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.

300

Lattice Boltzmann simulation of catalytic reactions  

Science Journals Connector (OSTI)

A lattice Boltzmann model is developed to simulate finite-rate catalytic surface chemistry. Diffusive wall boundary conditions are established to account for catalytic reactions in multicomponent mixtures. Implementation of wall boundary conditions with chemical reactions is based on a general second-order accurate interpolation scheme. Results of lattice Boltzmann simulations for a four-component mixture with a global catalytic methane oxidation reaction in a straight channel are in excellent agreement with a finite volume Navier-Stokes solver in terms of both the flow field and species concentrations.

S. Arcidiacono; J. Mantzaras; I. V. Karlin

2008-10-28T23:59:59.000Z

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

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

E-Print Network (OSTI)

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

Goddard III, William A.

302

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

E-Print Network (OSTI)

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

Williams, Loren

303

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

SciTech Connect

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

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

2014-03-25T23:59:59.000Z

304

PNNL: Center for Molecular Electrocatalysis - Research: A Fast...  

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

the fastest molecular electrocatalyst for oxidation of hydrogen. Oxidation of hydrogen in fuel cells is an efficient way to convert the chemical energy of an H-H bond into...

305

Hydrogen Delivery Technologies and Systems - Pipeline Transmission...  

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

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

306

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

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

Abstract: The structure and catalytic activity of tungsten oxide clusters formed via sublimation of monodispersed cyclic (WO3)3 onto FeO(111)Pt(111) surface has been studied...

307

Bifunctional Catalysts for the Selective Catalytic Reduction...  

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

Reduction of NO by Hydrocarbons Selectlive Catalytic Reducution of NOx wilth Diesel-Based Fuels as Reductants Engine and Reactor Evaluations of HC-SCR for Diesel NOx Reduction...

308

Microsecond Catalytic Partial Oxidation of Alkanes  

Science Journals Connector (OSTI)

...HICKMAN A. D. , PRODUCTION OF SYNGAS BY DIRECT CATALYTIC-OXIDATION OF METHANE...PFEFFERLE D. L. , CATALYSIS IN COMBUSTION , CATALYSIS...a-alu-mina monoliths coated with Rh (for syngas) (1, 2) or with Pt (for olefins...

Duane A. Goetsch; Lanny D. Schmidt

1996-03-15T23:59:59.000Z

309

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

SciTech Connect

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

310

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

311

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

E-Print Network (OSTI)

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

Mueller, Timothy Keith

2007-01-01T23:59:59.000Z

312

Polymer formulations for gettering hydrogen  

DOE Patents (OSTI)

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

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

2000-01-01T23:59:59.000Z

313

Effect of severity on catalytic hydroprocessed shale oil jet fuels  

SciTech Connect

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

Mukherjee, N.L.

1987-01-01T23:59:59.000Z

314

Advanced Hydrogen Turbine Development  

SciTech Connect

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

315

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

316

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

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

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

317

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

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

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

318

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

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

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

319

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

320

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

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

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

E-Print Network (OSTI)

Hydrogen, Fuel Cells & Infrastructure Technologies ProgramHydrogen, Fuel Cells & Infrastructure)DescriptionMilestone #12;Hydrogen, Fuel Cells & Infrastructure Technologies ProgramHydrogen, Fuel Cells & Infrastructure Technologies Program Hydrogen Codes & Standards #12;Hydrogen Codes & Standards: Goal & Objectives Goal

322

HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM  

E-Print Network (OSTI)

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

323

490 C4H9FS Tetrahydrothiophene - hydrogen fluoride (1/1)  

Science Journals Connector (OSTI)

It contains molecular constants (high-resolution spectroscopic data) of C4H9FS Tetrahydrothiophene - hydrogen fluoride (1/1)

J. Demaison

2011-01-01T23:59:59.000Z

324

E-Print Network 3.0 - altered intramolecular hydrogen-bonding...  

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

by strong intramolecular hydrogen ... Source: Balaram , P. - Molecular Biophysics Unit, Indian Institute of Science, Bangalore Collection: Biology and Medicine 47 Layered,...

325

Hydrogen storage and delivery mechanism of metal nanoclusters on a nanosheet.  

E-Print Network (OSTI)

??In this study, we used the Density functional theory (DFT) and Molecular dynamics (MD) to obtain the suitable hydrogen storage structure of Rh nanoclusters on… (more)

Huang, Li-Fan

2012-01-01T23:59:59.000Z

326

Modeling the kinetics of parallel thermal and catalytic hydrotreating of heavy oil  

Science Journals Connector (OSTI)

Abstract A series of experiments were performed for obtaining the kinetics of the parallel thermal and catalytic hydrotreating reactions. The reactions considered were: hydrodesulfurization, hydrodenitrogenation (basic and non-basic), hydrodemetallization, hydrodeasphaltenization and hydro Conradson carbon removal. Hydrodesulfurization reaction was described by Langmuir–Hinshelwood kinetics while the other reactions were modeled with power-law approach. The tests were carried out in a CSTBR at the following conditions: 380–420 °C, 9.8 MPa, 891 std m3/m3 of hydrogen-to-oil ratio, 0.98–2.56 of g feed/(g cat h), and 200 h of time-on-stream. The developed kinetic model incorporates the effectiveness factor and a time-dependant deactivation function for obtaining the intrinsic kinetic parameters. It was demonstrated that at low severity reaction conditions the reactions occur via catalytic route, while at high severity conditions thermal reactions are more favored.

Jeremías Martínez; Jorge Ancheyta

2014-01-01T23:59:59.000Z

327

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

328

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

329

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

330

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.

Laster, W. R.; Anoshkina, E.

2008-01-31T23:59:59.000Z

331

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

SciTech Connect

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

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

2008-09-30T23:59:59.000Z

332

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

333

The Transition to Hydrogen  

E-Print Network (OSTI)

above, not all hydrogen production methods are equal inrealize hydrogen’s bene- ?ts fully, production methods thathydrogen vary depending on which primary source produces it and which production method

Ogden, Joan M

2005-01-01T23:59:59.000Z

334

The Hydrogen Economy  

Science Journals Connector (OSTI)

The hydrogen economy is a vision for a future in which hydrogen replaces fossil fuels. There are a variety ... of methods for generating, storing and delivering hydrogen since no single method has yet proven supe...

2009-01-01T23:59:59.000Z

335

Hydrogen storage methods  

Science Journals Connector (OSTI)

Hydrogen exhibits the highest heating value per mass of all chemical fuels. Furthermore, hydrogen is regenerative and environmentally friendly. There are two reasons why hydrogen is not the major fuel of today’s ...

Andreas Züttel

2004-04-01T23:59:59.000Z

336

Hydrogen Fuel Cell Vehicles  

E-Print Network (OSTI)

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

Delucchi, Mark

1992-01-01T23:59:59.000Z

337

Hydrogen Fuel Cell Vehicles  

E-Print Network (OSTI)

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

Delucchi, Mark

1992-01-01T23:59:59.000Z

338

Anomalous neutron Compton scattering from molecular hydrogen  

SciTech Connect

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

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

2005-08-01T23:59:59.000Z

339

Technology: Hydrogen and hydrates  

Science Journals Connector (OSTI)

... . 2249–2258 (2004). US Department of Energy Hydrogen Posture Plan http://www.eere.energy.gov/hydrogenandfuelcells/pdfs/hydrogen_posture_plan.pdf Kuhs, W. F. , Genov, ...

Ferdi Schüth

2005-04-06T23:59:59.000Z

340

Hydrogen Pipeline Working Group  

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

The Hydrogen Pipeline Working Group of research and industry experts focuses on issues related to the cost, safety, and reliability of hydrogen pipelines. Participants represent organizations...

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 and fuel taxation.  

E-Print Network (OSTI)

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

Hansen, Anders Chr.

2007-01-01T23:59:59.000Z

342

CAN HYDROGEN WIN?: EXPLORING SCENARIOS FOR HYDROGEN  

E-Print Network (OSTI)

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

343

Production of hydrogen from water using biophotolytic methods  

Science Journals Connector (OSTI)

Hydrogen gas has been produced on a continuous basis using two immobilized microorganisms. One organism, the cyanobacteria it(Anacystis nidulans), oxidizes water, producing molecular oxygen, and reduces exogen...

Howard H. Weetall; Lester O. Krampitz

1980-06-01T23:59:59.000Z

344

Hydrogen Sorption Center of Excellence (HSCoE) Final Report  

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

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

345

Hydrogenation with monolith reactor under conditions of immiscible liquid phases  

DOE Patents (OSTI)

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

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

2002-01-01T23:59:59.000Z

346

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

SciTech Connect

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

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

1992-07-01T23:59:59.000Z

347

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

348

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

349

ChargeTransfer EAM Studies of Kinesin Molecular Motor  

E-Print Network (OSTI)

ChargeTransfer EAM Studies of Kinesin Molecular Motor Protein Mechanochemistry Vijay species. As a first step toward simulating the catalytic core of the molecular motor protein kinesin and dynamical studies of liquid water [5]. This research has the longterm goal of enabling a detailed

Maccabe, Barney

350

Catalytic gasification of tars from a dumping site  

Science Journals Connector (OSTI)

The work deals with catalytic gasification, pyrolysis and non-catalytic gasification of tar from an industrial dumping site. ... were carried out in a vertical stainless steel gasification reactor at 800 °C. Crus...

LukᚠGašparovi?; LukᚠŠugár…

2013-10-01T23:59:59.000Z

351

AT A GLANCE Title: Hydrogen, Methane and Nitrous oxide: Trend  

E-Print Network (OSTI)

to increases in atmospheric molecular hydrogen (H2) and reductions of fossil fuel burning emissions burning emissions have been calculated with one of the models. MAIN RESULTS Improved methane emissions (from ruminants and waste) is larger. First robust estimates of the uptake of hydrogen by

Haak, Hein

352

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments  

E-Print Network (OSTI)

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

Guidoni, Leonardo

353

Hydrogen Energy Technology Geoff Dutton  

E-Print Network (OSTI)

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

Watson, Andrew

354

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

355

Hydrogen production from water: Recent advances in photosynthesis research  

SciTech Connect

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

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

1997-12-31T23:59:59.000Z

356

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

357

Catalytic wet oxidation of phenolic wastes  

E-Print Network (OSTI)

Possible catalyst deactivation problems High capital, low operating Supercritical water oxidation (SCWO) Feasible only at high organic concentra- tions High Fast reaction, complete oxidation Severe reaction conditions, canosion problems... of milder reaction conditions and is much less energy intensive. Thus, catalytic wet oxidation would be an alternative to solvent extraction, supercritical water oxidation, homogeneous oxidation, and incineration. It should also be feasible at low...

Thomas, Brook James

1995-01-01T23:59:59.000Z

358

Catalytic Partial Oxidation Pilot Plant Study  

Science Journals Connector (OSTI)

Foster Wheeler Corporation, 585 North Dairy Ashford Street, Houston, Texas 77079 ... This is accomplished in this study with a new reactor system named the catalytic hot oxygen reactor (CHOR). ... Studying the integration of the reactor with the rest of the plant and developing detailed process economics in parallel with the system development are necessary. ...

Vasilis Papavassiliou; Perry Pacouloute; KT Wu; Raymont Drnevich; Dionisios Vlachos; John Hemmings; Leo Bonnel

2009-11-24T23:59:59.000Z

359

Remediation of water contamination using catalytic technologies  

Science Journals Connector (OSTI)

Remediation of contaminated ground and underground water is becoming a critical issue in Europe and worldwide. We discuss here the role of catalysis in water remediation, with reference to two specific examples of catalytic water remediation technologies: (i) the elimination of nitrate and pesticides from water contaminated as a result of agricultural practices and (ii) the conversion of methyl tert-butyl ether (MTBE) in contaminated underground water. Of particular interest is a technology based on catalytic membranes for remediation of water contaminated by nitrate, which offers various advantages with respect to conventional technologies. Using a Pd-Cu-based catalytic membrane, a reaction temperature below 15 °C, a mixed 4:1 CO2:H2 feed and controlling bulk solution pH by \\{HCl\\} addition, it is possible to obtain a nitrate conversion higher than 80% even with ammonium ion formation below 0.5 ppm, i.e. the maximum concentration allowed to meet the requirements for drinking water quality. In MTBE conversion in contaminated underground water, acid zeolites with suitable pore structures (channel structure and pore openings) such as H-ZSM-5 and H-BEA can be used as catalytic permeable reactive barriers for in situ remediation. These zeolites not only act as adsorbents for both MTBE and its reaction products, but also effectively catalyze the hydrolysis of MTBE to t-butyl alcohol (TBA) and methanol (MeOH) which then can be rapidly biodegraded by indigenous microorganisms.

Gabriele Centi; Siglinda Perathoner

2003-01-01T23:59:59.000Z

360

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

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

Hydrogen Compatibility of Materials  

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

Presentation slides from the Energy Department webinar, Hydrogen Compatibility of Materials, held August 13, 2013.

362

Hydrogen Delivery Liquefaction & Compression  

E-Print Network (OSTI)

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

363

Metallization of fluid hydrogen  

Science Journals Connector (OSTI)

...P. Tunstall Metallization of fluid hydrogen W. J. Nellis 1 A. A. Louis 2 N...The electrical resistivity of liquid hydrogen has been measured at the high dynamic...which structural changes are paramount. hydrogen|metallization of hydrogen|liquid...

1998-01-01T23:59:59.000Z

364

Safetygram #9- Liquid Hydrogen  

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

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

365

Hydrogen storage on activated carbon. Final report  

SciTech Connect

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

366

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

367

Hydrogen Storage - Current Technology | Department of Energy  

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

Current on-board hydrogen storage approaches involve compressed hydrogen gas tanks, liquid hydrogen tanks, cryogenic compressed hydrogen, metal hydrides,...

368

Gaseous Hydrogen Delivery Breakout - Strategic Directions for...  

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

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

369

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:

370

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

SciTech Connect

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

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

1987-06-02T23:59:59.000Z

371

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

372

Hydrogen adsorption on boron nitride nanotubes: A path to room-temperature hydrogen storage  

Science Journals Connector (OSTI)

The adsorption of molecular hydrogen on boron nitride nanotubes is studied with the use of the pseudopotential density functional method. The binding energy and distance of adsorbed hydrogen is particularly calculated. It is found that the binding energy of hydrogen on boron nitride nanotubes is increased by as much as 40% compared to that on carbon nanotubes, which is attributed to heteropolar bonding in boron nitride. The effect of substitutional doping and structural defects on hydrogen adsorption is also studied and we find a substantial enhancement of the binding energy from that on perfect boron nitride. The current study demonstrates a pathway to the finding of proper media that can hold hydrogen at ambient conditions through physisorption.

Seung-Hoon Jhi and Young-Kyun Kwon

2004-06-22T23:59:59.000Z

373

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

374

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

E-Print Network (OSTI)

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

Fayer, Michael D.

375

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

E-Print Network (OSTI)

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

Ciobanu, Cristian

376

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)

377

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

378

Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines...  

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

of hydrogen permeation behavior and its impact on hydrogen embrittlement of pipeline steels under high gaseous pressures relevant to hydrogen gas transmission pipeline...

379

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

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

Bulk Hydrogen Storage Strategic Directions for Hydrogen Delivery Workshop May 7-8, 2003 Crystal City, Virginia Breakout Session - Bulk Hydrogen Storage Main ThemesCaveats Bulk...

380

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

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

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

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


381

NREL: Hydrogen and Fuel Cells Research - Hydrogen Storage  

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

L. Simpson. (2010) Contact: Thomas Gennett 303-384-6628 Printable Version Hydrogen & Fuel Cells Research Home Projects Fuel Cells Hydrogen Production & Delivery Hydrogen Storage...

382

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

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

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

383

Hydrogen Delivery Technologies and Systems- Pipeline Transmission of Hydrogen  

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

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

384

Method and apparatus for a catalytic firebox reactor  

DOE Patents (OSTI)

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

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

2001-01-01T23:59:59.000Z

385

Why Hydrogen? Hydrogen from Diverse Domestic Resources  

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

produce hydrogen in a centralized coal based operation for .79kg at the plant gate with carbon sequestration. Develop advanced OTM, HTM, technology, advanced reforming and shift...

386

Resource Assessment for Hydrogen Production: Hydrogen Production...  

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

Administration ERR Estimated Recoverable Reserves FCEV fuel cell electric vehicle GHG greenhouse gas GW gigawatt GWh gigawatt-hour GWdt gigawatt-days thermal H2A Hydrogen...

387

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

E-Print Network (OSTI)

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

Amft, Martin

2011-01-01T23:59:59.000Z

388

Features of hydrotreating catalytic cracking feed and heavy slow coking gas oils  

SciTech Connect

A possible means of more extensive processing of crude oil is the use, in catalytic cracking, of heavy coking gas oils (HCGOs), a feature of which is a higher content of polycyclic aromatic compounds and resins by comparison with straight-run vacuum distillates. The presence of these compounds in catalytic cracking feed causes a reduction in the product yield and increased coke formation. Therefore, one of the problems of hydrotreating feedstock of this kind is the hydrogenation of polycyclic arenes. Processes of extensive desulphurization and denitration occur in parallel, since the sulphur and nitrogen compounds of HCGO are chiefly condensed benzoderivatives of thiophene, pyridine and carbazole, and largely concentrated in heavy aromatic and resinous fractions. The composition of the saturated part of the cracking feed plays a large role in achieving the optimum yields of gaseous and gasoline fractions. Thus an increase in the proportion of cyclanes in the feed raises the gasoline yield. In this way, an investigation of the hydrocarbon conversions during the hydrotreatment of cracking feed is of great importance. The present paper sets out the results for studying the change in the group-structural characteristics of the hydrogenation products of a mixture containing 30% HCGOs according to data of {sup 1}H and {sup 13}C NMR spectroscopy. 7 refs., 7 figs., 1 tab.

Yefremov, N.I.; Kushnarev, D.F.; Frolov, P.A.; Chagovets, A.N.; Kalabin, G.A.

1993-12-31T23:59:59.000Z

389

Hydrogen storage gets new hope  

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

Hydrogen storage gets new hope Hydrogen storage gets new hope A new method for "recycling" hydrogen-containing fuel materials could open the door to economically viable...

390

The Bumpy Road to Hydrogen  

E-Print Network (OSTI)

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

Sperling, Dan; Ogden, Joan M

2006-01-01T23:59:59.000Z

391

Catalytic fast pyrolysis of lignocellulosic biomass  

SciTech Connect

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

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

2014-11-21T23:59:59.000Z

392

Improved performance in coprocessing through fundamental and mechanistic studies in hydrogen transfer and catalysis. Quarterly report, September 27, 1990--December 26, 1990  

SciTech Connect

The objective is to gain a fundamental understanding of the role and importance of hydrogen transfer reactions in thermal and catalytic coprocessing by examining possible hydrogen donation from cycloalkane/aromatic systems and by understanding the chemistry and enhanced reactivity of hydrotreated residuum, as well as by enriching petroleum solvent with potent new donors, nonaromatic hydroaromatics, thereby promoting hydrogen transfer reactions in coprocessing. The detailed results of experiments performed on several subtasks during the quarter are presented.

Curtis, C.W.

1990-12-31T23:59:59.000Z

393

Improved performance in coprocessing through fundamental and mechanistic studies in hydrogen transfer and catalysis. Quarterly report, September 26, 1989--December 26, 1989  

SciTech Connect

To gain a fundamental understanding of the role and importance of hydrogen transfer reactions in thermal and catalytic coprocessing by examining possible hydrogen donation from cycloalkane/aromatic systems and by understanding the chemistry and enhanced reactivity of hydrotreated residuum, as well as by enriching petroleum solvent with potent new donors, nonaromatic hydroaromatics, thereby promoting hydrogen transfer reactions in coprocessing. The detailed results of experiments performed on several subtasks during the quarter are presented.

Curtis, C.W.

1989-12-31T23:59:59.000Z

394

Improved performance in coprocessing through fundamental and mechanistic studies in hydrogen transfer and catalysis. Quarterly report, December 26, 1989--March 26, 1990  

SciTech Connect

To gain a fundamental understanding of the role and importance of hydrogen transfer reactions in thermal and catalytic coprocessing by examining possible hydrogen donation from cycloalkane/aromatic systems and by understanding the chemistry and enhanced reactivity of hydrotreated residuum, as well as by enriching petroleum solvent with potent new donors, nonaromatic hydroaromatics, thereby promoting hydrogen transfer reactions in coprocessing. The detailed results of experiments performed on several subtasks during the quarter are presented.

Curtis, C.W.

1990-12-31T23:59:59.000Z

395

FCT Hydrogen Production: Hydrogen Production R&D Activities  

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

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

396

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

SciTech Connect

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

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

2014-03-14T23:59:59.000Z

397

Catalyzed Hydrogen Spillover for Hydrogen Storage  

Science Journals Connector (OSTI)

Catalyzed Hydrogen Spillover for Hydrogen Storage ... Storing sufficient H on-board a wide range of vehicle platforms, while meeting all consumer requirements (driving range, cost, safety, performance, etc.), without compromising passenger or cargo space, is a tremendous tech. ... The authors show that for the 1st time significant amts. of H can be stored in MOF-5 and IRMOF-8 at ambient temp. ...

Ralph T. Yang; Yuhe Wang

2009-02-27T23:59:59.000Z

398

Hydrogen Permeability and Integrity of Hydrogen  

E-Print Network (OSTI)

· To develop suitable welding technology for H2 pipeline construction and repair · To develop technical basisHydrogen Permeability and Integrity of Hydrogen Delivery Pipelines Z. Feng*, L.M. Anovitz*, J pressure permeation test · Edison Welding Institute - Pipeline materials · Lincoln Electric Company

399

Gaseous Hydrogen Delivery Breakout- Strategic Directions for Hydrogen Delivery Workshop  

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

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

400

BP and Hydrogen Pipelines  

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

BP and Hydrogen Pipelines BP and Hydrogen Pipelines DOE Hydrogen Pipeline Working Group Workshop August 30-31, 2005 Gary P. Yoho, P.E. i l i * Green corporate philosophy and senior management commitment * Reduced greenhouse gas emissions nine years ahead of target * Alternatives to oil are a big part of BP' including natural gas, LNG, solar and hydrogen * Hydrogen Bus Project won Australia' prestigious environmental award * UK partnership opened the first hydrogen demonstration refueling station * Two hydrogen pipelines in Houston area BP Env ronmenta Comm tment s portfolio, s most BP' * li l " li i i * i l pl i i * Li l li l * " i i l i 2 i i ll i i l pl ifi i * 8" ly idl i i l s Hydrogen Pipelines Two nes, on y a brand new 12 ne s act ve Connect Houston area chem ca ant w th a ref nery nes come off a p

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

Hydrogen Production- Current Technology  

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

The development of clean, sustainable, and cost-competitive hydrogen production processes is key to a viable future clean energy economy. Hydrogen production technologies fall into three general...

402

A Hydrogen Economy  

Science Journals Connector (OSTI)

The history of the “hydrogen economy” may be broken down into three parts ... is the history of the founding of the Hydrogen Energy Society which took place in Miami,...

J. O’M. Bockris

1981-01-01T23:59:59.000Z

403

Solar Hydrogen Production  

Science Journals Connector (OSTI)

The common methods of hydrogen production impose many concerns regarding the decline in...2...emission, and ecological impacts. Subsequently, all the downstream industries that consume hydrogen involve the aforem...

Ibrahim Dincer; Anand S. Joshi

2013-01-01T23:59:59.000Z

404

Hydrogen Fuel Quality (Presentation)  

SciTech Connect

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

Ohi, J.

2007-05-17T23:59:59.000Z

405

Webinar: Hydrogen Refueling Protocols  

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

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

406

The Hydrogen Economy  

Science Journals Connector (OSTI)

Before describing the characteristics of an economy in which hydrogen is the medium of energy, let us...

J. O’M. Bockris; Z. Nagy

1974-01-01T23:59:59.000Z

407

Hydrogen Technologies Safety Guide  

SciTech Connect

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

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

2015-01-01T23:59:59.000Z

408

National Hydrogen Energy Roadmap  

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

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

409

Hydrogenation of Magnesium Nickel Boride for Reversible Hydrogen Storage  

Science Journals Connector (OSTI)

Hydrogenation of Magnesium Nickel Boride for Reversible Hydrogen Storage ... Use of hydrogen for transportation applications requires materials that not only store hydrogen at high density but that can operate reversibly at temperatures and pressures below approximately 100 °C and 10 bar, respectively. ... This composition is based on assuming the following complete hydrogenation reaction:which stores 2.6 wt % hydrogen. ...

Wen Li; John J. Vajo; Robert W. Cumberland; Ping Liu; Son-Jong Hwang; Chul Kim; Robert C. Bowman, Jr.

2009-11-06T23:59:59.000Z

410

Gaseous Hydrogen Delivery Breakout  

E-Print Network (OSTI)

or reduce the likelihood of hydrogen embrittlement Test existing high strength steel alloys for use in largeGaseous Hydrogen Delivery Breakout Strategic Directions for Hydrogen Delivery Workshop May 7 compression. Safety, integrity, reliability: Metal embrittlement, no H2 odorant, low ignition energy

411

Hydrogen storage: The major technological barrier to the development of hydrogen fuel cell cars  

Science Journals Connector (OSTI)

In this paper, we review the current technology for the storage of hydrogen on board a fuel cell-propelled vehicle. Having outlined the technical specifications necessary to match the performance of hydrocarbon. fue1, we first outline the inherent difficulties with gas pressure and liquid hydrogen storage. We then outline the history of transition metal hydride storage, leading to the development of metal hydride batteries. A viable system, however, must involve lighter elements and be vacuum-tight. The first new system to get serious consideration is titanium-activated sodium alanate, followed by the lithium amide and borohydride systems that potentially overcome several of the disadvantages of alanates. Borohydrides can alternatively produce hydrogen by reaction with water in the presence of a catalyst but the product would have to be recycled via a chemical plant. Finally various possible ways of making magnesium hydride decompose and reform more readily are discussed. The alternative to lighter hydrides is the development of physisorption of molecular hydrogen on high surface area materials such as carbons, metal oxide frameworks, zeolites. Here the problem is that the surface binding energy is too low to work at anything above liquid nitrogen temperature. Recent investigations of the interaction mechanism are discussed which show that systems with stronger interactions will inevitably require a surface interaction that increases the molecular hydrogen–hydrogen distance.

D.K. Ross

2006-01-01T23:59:59.000Z

412

Hydrogen Delivery Liquefaction and Compression  

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

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

413

New Materials for Hydrogen Pipelines  

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

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

414

Hydrogen Dissociation on Pd4S Surfaces  

SciTech Connect

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

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

2009-01-01T23:59:59.000Z

415

Hydrogen separation process  

DOE Patents (OSTI)

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

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

2011-05-24T23:59:59.000Z

416

Anti-Hydrogen Jonny Martinez  

E-Print Network (OSTI)

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

Budker, Dmitry

417

Selective Catalytic Reduction and Exhaust Gas Recirculation Systems...  

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

Catalytic Reduction and Exhaust Gas Recirculation Systems Optimization A patented EGR-SCR approach was shown to readily meet the 2010 EPA requirments for NOx and PM emisisons...

418

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

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

of NO by Hydrocarbons Bifunctional Catalysts for the Selective Catalytic Reduction of NO by Hydrocarbons Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis...

419

Printing 3D Catalytic Devices | The Ames Laboratory  

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

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

420

Catalytic Conversion of Biomass-derived Feedstock (HMF) into...  

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

Industrial Technologies Industrial Technologies Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Catalytic Conversion of Biomass-derived Feedstock...

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

Catalytic distillation for the synthesis of tertiary butyl alcohol.  

E-Print Network (OSTI)

??Catalytic Distillation for the synthesis of tertiary butyl alcohol (TBA) is investigated in this thesis. The solvent, ethylene glycol, is proposed as a means of… (more)

Safinski, Tomasz

2005-01-01T23:59:59.000Z

422

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

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

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

423

3D Printing of nanostructured catalytic materials | The Ames...  

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

3D Printing of nanostructured catalytic materials Over the last couple of decades, scientists have been able to develop a tremendous control over the synthesis and properties of...

424

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

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

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

425

Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway...  

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

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

426

Passive Catalytic Approach to Low Temperature NOx Emission Abatement  

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

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

427

Hydrogen Use and Safety  

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

USE AND SAFETY USE AND SAFETY The lightest and most common element in the universe, hydrogen has been safely used for decades in industrial applications. Currently, over 9 million tons of hydrogen are produced in the U.S. each year and 3.2 trillion cubic feet are used to make many common products. They include glass, margarine, soap, vitamins, peanut butter, toothpaste and almost all metal products. Hydrogen has been used as a fuel since the 1950s by the National Aeronautics & Space Administration (NASA) in the U.S. space program. Hydrogen - A Safe, Clean Fuel for Vehicles Hydrogen has another use - one that can help our nation reduce its consumption of fossil fuels. Hydrogen can be used to power fuel cell vehicles. When combined with oxygen in a fuel cell, hydrogen generates electricity used

428

SHEC Energy Formerly SHEC Labs Solar Hydrogen Energy Corporation | Open  

Open Energy Info (EERE)

SHEC Energy Formerly SHEC Labs Solar Hydrogen Energy Corporation SHEC Energy Formerly SHEC Labs Solar Hydrogen Energy Corporation Jump to: navigation, search Name SHEC Energy (Formerly SHEC Labs - Solar Hydrogen Energy Corporation) Place Saskatoon, Saskatchewan, Canada Zip S2L 6A4 Sector Hydro, Hydrogen, Solar Product Solar Hydrogen Energy Corporation (SHEC) Labs is a research and development company that was incorporated in 1996 and has developed technologies for the solar thermo catalytic production of hydrogen. Coordinates 52.130505°, -106.659314° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":52.130505,"lon":-106.659314,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

429

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

SciTech Connect

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

NONE

1994-11-01T23:59:59.000Z

430

Bi2V1-xMexO5.5-(Me = Ta, Ni) Membranes for Selective Oxidation of C1-C3 Alkanes in a Catalytic Dense Membrane Reactor  

E-Print Network (OSTI)

reactors are studied for increasing yields or checking purity of hydrogen or syngas production BINIVOX is able to oxidise methane (conversion ca. 22-25 mol%) to syngas at low temperature (650�C of C1-C3 alkanes, syngas #12;3 1. Introduction Among other applications, catalytic dense membrane

Paris-Sud XI, Université de

431

DOE Hydrogen Analysis Repository: Hydrogen Production by  

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

Production by Photovoltaic-powered Electrolysis Production by Photovoltaic-powered Electrolysis Project Summary Full Title: Production of Hydrogen by Photovoltaic-powered Electrolysis Project ID: 91 Principal Investigator: D.L. Block Keywords: Hydrogen production; electrolysis; photovoltaic (PV) Purpose To evaluate hydrogen production from photovoltaic (PV)-powered electrolysis. Performer Principal Investigator: D.L. Block Organization: Florida Solar Energy Center Address: 1679 Clearlake Road Cocoa, FL 32922 Telephone: 321-638-1001 Email: block@fsec.ucf.edu Sponsor(s) Name: Michael Ashworth Organization: Florida Energy Office Name: Neil Rossmeissl Organization: DOE/Advanced Utilities Concepts Division Name: H.T. Everett Organization: NASA/Kennedy Space Center Project Description Type of Project: Analysis Category: Hydrogen Fuel Pathways

432

Hydrogen Material Compatibility for Hydrogen ICE | Department...  

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

Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. pm04smith.pdf More Documents & Publications Hydrogen Materials Compatibility for the H-ICE...

433

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

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

Natural Gas Reforming without Sequestration Natural Gas Reforming without Sequestration Project Summary Full Title: H2A Case Study: Longer-Term (2020-2030) Hydrogen from Natural Gas without CO2 Capture and Sequestration Project ID: 240 Principal Investigator: Darlene Steward Keywords: Hydrogen production; steam methane reforming; natural gas Purpose Steam reforming of hydrocarbons continues to be the most efficient, economical, and widely used process for production of hydrogen and hydrogen/carbon monoxide mixtures. The process involves a catalytic conversion of the hydrocarbon and steam to hydrogen and carbon oxides. Since the process works only with light hydrocarbons that can be vaporized completely without carbon formation, the feedstocks used range from methane (natural gas) to naphtha to No. 2 fuel oil.

434

Integrating catalytic coal gasifiers with solid oxide fuel cells  

SciTech Connect

A review was conducted for coal gasification technologies that integrate with solid oxide fuel cells (SOFC) to achieve system efficiencies near 60% while capturing and sequestering >90% of the carbon dioxide [1-2]. The overall system efficiency can reach 60% when a) the coal gasifier produces a syngas with a methane composition of roughly 25% on a dry volume basis, b) the carbon dioxide is separated from the methane-rich synthesis gas, c) the methane-rich syngas is sent to a SOFC, and d) the off-gases from the SOFC are recycled back to coal gasifier. The thermodynamics of this process will be reviewed and compared to conventional processes in order to highlight where available work (i.e. exergy) is lost in entrained-flow, high-temperature gasification, and where exergy is lost in hydrogen oxidation within the SOFC. The main advantage of steam gasification of coal to methane and carbon dioxide is that the amount of exergy consumed in the gasifier is small compared to conventional, high temperature, oxygen-blown gasifiers. However, the goal of limiting the amount of exergy destruction in the gasifier has the effect of limiting the rates of chemical reactions. Thus, one of the main advantages of steam gasification leads to one of its main problems: slow reaction kinetics. While conventional entrained-flow, high-temperature gasifiers consume a sizable portion of the available work in the coal oxidation, the consumed exergy speeds up the rates of reactions. And while the rates of steam gasification reactions can be increased through the use of catalysts, only a few catalysts can meet cost requirements because there is often significant deactivation due to chemical reactions between the inorganic species in the coal and the catalyst. Previous research into increasing the kinetics of steam gasification will be reviewed. The goal of this paper is to highlight both the challenges and advantages of integrating catalytic coal gasifiers with SOFCs.

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

2010-01-01T23:59:59.000Z

435

Blue Ruthenium Dimer Catalysis for Hydrogen Generation | Advanced Photon  

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

A High-Pressure Nano-imaging Breakthrough A High-Pressure Nano-imaging Breakthrough Protein Structure Could Lead to Better Treatments for HIV, Early Aging The Superpower behind Iron Oxyfluoride Battery Electrodes Watching a Protein as it Functions Shedding Light on Chemistry with a Biological Twist Science Highlights Archives: 2013 | 2012 | 2011 | 2010 2009 | 2008 | 2007 | 2006 2005 | 2004 | 2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Blue Ruthenium Dimer Catalysis for Hydrogen Generation APRIL 15, 2013 Bookmark and Share Key intermediates in the water oxidation catalytic cycle of the blue dimer characterized by x-ray spectroscopy. Optimization of the reactivity toward water (purple arrow) and oxidation of the resulting peroxo-intermediate (blue arrow) are needed for improved catalytic activity.

436

Ultrafine hydrogen storage powders  

DOE Patents (OSTI)

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

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

2000-06-13T23:59:59.000Z

437

Catalytic bromine recovery from HBr waste  

SciTech Connect

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

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

1993-12-31T23:59:59.000Z

438

Catalytic reactor for low-Btu fuels  

DOE Patents (OSTI)

An improved catalytic reactor includes a housing having a plate positioned therein defining a first zone and a second zone, and a plurality of conduits fabricated from a heat conducting material and adapted for conducting a fluid therethrough. The conduits are positioned within the housing such that the conduit exterior surfaces and the housing interior surface within the second zone define a first flow path while the conduit interior surfaces define a second flow path through the second zone and not in fluid communication with the first flow path. The conduit exits define a second flow path exit, the conduit exits and the first flow path exit being proximately located and interspersed. The conduits define at least one expanded section that contacts adjacent conduits thereby spacing the conduits within the second zone and forming first flow path exit flow orifices having an aggregate exit area greater than a defined percent of the housing exit plane area. Lastly, at least a portion of the first flow path defines a catalytically active surface.

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

2009-04-21T23:59:59.000Z

439

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

DOE Patents (OSTI)

A multi-stage selective catalytic reduction (SCR) unit (32) provides efficient reduction of NOx and other pollutants from about 50-550.degree. C. in a power plant (19). Hydrogen (24) and ammonia (29) are variably supplied to the SCR unit depending on temperature. An upstream portion (34) of the SCR unit catalyzes NOx+NH.sub.3 reactions above about 200.degree. C. A downstream portion (36) catalyzes NOx+H.sub.2 reactions below about 260.degree. C., and catalyzes oxidation of NH.sub.3, CO, and VOCs with oxygen in the exhaust above about 200.degree. C., efficiently removing NOx and other pollutants over a range of conditions with low slippage of NH.sub.3. An ammonia synthesis unit (28) may be connected to the SCR unit to provide NH.sub.3 as needed, avoiding transport and storage of ammonia or urea at the site. A carbonaceous gasification plant (18) on site may supply hydrogen and nitrogen to the ammonia synthesis unit, and hydrogen to the SCR unit.

Sobolevskiy, Anatoly; Rossin, Joseph A

2014-04-08T23:59:59.000Z

440

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

DOE Patents (OSTI)

A method for producing liquid fuels includes the steps of gasifying a starting material selected from a group consisting of coal, biomass, carbon nanotubes and mixtures thereof to produce a syngas, subjecting that syngas to Fischer-Tropsch synthesis (FTS) to produce a hyrdrocarbon product stream, separating that hydrocarbon product stream into C1-C4 hydrocarbons and C5+ hydrocarbons to be used as liquid fuels and subjecting the C1-C4 hydrocarbons to catalytic dehydrogenation (CDH) to produce hydrogen and carbon nanotubes. The hydrogen produced by CDH is recycled to be mixed with the syngas incident to the FTS reactor in order to raise the hydrogen to carbon monoxide ratio of the syngas to values of 2 or higher, which is required to produce liquid hydrocarbon fuels. This is accomplished with little or no production of carbon dioxide, a greenhouse gas. The carbon is captured in the form of a potentially valuable by-product, multi-walled carbon nanotubes (MWNT), while huge emissions of carbon dioxide are avoided and very large quantities of water employed for the water-gas shift in traditional FTS systems are saved.

Huffman, Gerald P

2012-09-18T23:59:59.000Z

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


441

Hydrogen Codes and Standards  

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

Codes and Standards Codes and Standards James Ohi National Renewable Energy Laboratory 1617 Cole Blvd. Golden, CO 80401 Background The development and promulgation of codes and standards are essential if hydrogen is to become a significant energy carrier and fuel because codes and standards are critical to establishing a market-receptive environment for commercializing hydrogen-based products and systems. The Hydrogen, Fuel Cells, and Infrastructure Technologies Program of the U.S. Department of Energy (DOE) and the National Renewable Energy Laboratory (NREL), with the help of the National Hydrogen Association (NHA) and other key stakeholders, are coordinating a collaborative national effort by government and industry to prepare, review, and promulgate hydrogen codes and standards needed to expedite hydrogen infrastructure development. The

442

President's Hydrogen Fuel Initiative  

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

Hydrogen Fuel Initiative Hydrogen Fuel Initiative Workshop on Manufacturing R&D for the Hydrogen Economy Washington, DC July 13, 2005 JoAnn Milliken DOE Hydrogen Program Planning U.S. Energy Dependence is Driven By Transportation * The U.S. imports 55% of its oil; expected to grow to 68% by 2025 under the status quo. * Transportation accounts for 2/3 of the 20 million barrels of oil our nation uses each day. * Gasoline hybrid electric vehicles will help in the near -mid term; a replacement for petroleum is needed for the long-term. 0 2 4 6 8 10 12 14 16 18 20 22 1970 1975 1980 1985 1990 1995 2000 2005 2010 2015 2020 2025 Million barrels per day Marine Rail Actual Projection Cars Air Light Trucks Heavy Vehicles U.S. Production Off-Road Projection Hydrogen Provides a Solution Producing hydrogen from domestic resources, including renewable, nuclear, and coal

443

Hydrogen Based Bacteria  

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

Hydrogen Based Bacteria Hydrogen Based Bacteria Name: Ellen Location: N/A Country: N/A Date: N/A Question: i was in my Biology class and a very respectable someone mentioned something about the discovery of a hydrogen based bacteria. my teacher wasnt aware of this study, and assigned me to find out about it. so i thought i would Email you and see if you people knew anything about it. Awaiting your repsonse Replies: I'm not quite sure what you mean by hydrogen based bacteria but I will take a stab that you mean bacteria that use hydrogen for energy. Some bacteria are chemolithotrophs which mean that they are autrophs but don't use the sun as their energy source; they get their energy from chemical sources. There are bacteria that use hydrogen as their energy source. They are diverse as a group and are all facultative. The overall chemical reaction looks like this:

444

Hydrogenation of carbonaceous materials  

DOE Patents (OSTI)

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

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

1980-01-01T23:59:59.000Z

445

Hydrogen permeability and Integrity of hydrogen transfer pipelines  

E-Print Network (OSTI)

Natural Gas Pipelines Hydrogen embrittlement What is the relevance to hydrogen pipelines? ORNL researchHydrogen permeability and Integrity of hydrogen transfer pipelines Team: Sudarsanam Suresh Babu, Z Pressure Permeation Testing) Hydrogen Pipeline R&D, Project Review Meeting Oak Ridge National Laboratory

446

Hydrogen Delivery Technologies and Pipeline Transmission of Hydrogen  

E-Print Network (OSTI)

Issues for H2 Service Materials of Construction Hydrogen Embrittlement Presence of atomic hydrogen susceptible to Hydrogen Embrittlement. #12;Pipeline Transmission of Hydrogen --- 7 Copyright: H2 Induced, characteristic of hydrogen embrittlement. Photo Courtesy of NASA/Kennedy Space Center Materials Lab #12;Pipeline

447

BP and Hydrogen Pipelines DOE Hydrogen Pipeline Working Group Workshop  

E-Print Network (OSTI)

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

448

Hydrogen Storage -Overview George Thomas, Hydrogen Consultant to SNL*  

E-Print Network (OSTI)

Hydrogen Storage - Overview George Thomas, Hydrogen Consultant to SNL* and Jay Keller, Hydrogen volumetric density of gaseous fuels requires a storage method which compacts the fuel. Hence, hydrogen and cost-effective hydrogen storage? #12;4/14/03 3 Sandia National Laboratories From George Thomas, BES

449

Hydrogen powered bus  

ScienceCinema (OSTI)

Take a ride on a new type of bus, fueled by hydrogen. These hydrogen taxis are part of a Department of Energy-funded deployment of hydrogen powered vehicles and fueling infrastructure at nine federal facilities across the country to demonstrate this market-ready advanced technology. Produced and leased by Ford Motor Company , they consist of one 12- passenger bus and one nine-passenger bus. More information at: http://go.usa.gov/Tgr

None

2013-11-22T23:59:59.000Z

450

Amorphous Alloy Membranes for High Temperature Hydrogen Separation  

SciTech Connect

At the beginning of this project, thin film amorphous alloy membranes were considered a nascent but promising new technology for industrial-scale hydrogen gas separations from coal- derived syngas. This project used a combination of theoretical modeling, advanced physical vapor deposition fabricating, and laboratory and gasifier testing to develop amorphous alloy membranes that had the potential to meet Department of Energy (DOE) targets in the testing strategies outlined in the NETL Membrane Test Protocol. The project is complete with Southwest Research Institute® (SwRI®), Georgia Institute of Technology (GT), and Western Research Institute (WRI) having all operated independently and concurrently. GT studied the hydrogen transport properties of several amorphous alloys and found that ZrCu and ZrCuTi were the most promising candidates. GT also evaluated the hydrogen transport properties of V, Nb and Ta membranes coated with different transition-metal carbides (TMCs) (TM = Ti, Hf, Zr) catalytic layers by employing first-principles calculations together with statistical mechanics methods and determined that TiC was the most promising material to provide catalytic hydrogen dissociation. SwRI developed magnetron coating techniques to deposit a range of amorphous alloys onto both porous discs and tubular substrates. Unfortunately none of the amorphous alloys could be deposited without pinhole defects that undermined the selectivity of the membranes. WRI tested the thermal properties of the ZrCu and ZrNi alloys and found that under reducing environments the upper temperature limit of operation without recrystallization is ~250 °C. There were four publications generated from this project with two additional manuscripts in progress and six presentations were made at national and international technical conferences. The combination of the pinhole defects and the lack of high temperature stability make the theoretically identified most promising candidate amorphous alloys unsuitable for application as hydrogen separation membranes in coal fire systems.

Coulter, K

2013-09-30T23:59:59.000Z

451

DIRECT DECOMPOSITION OF METHANE TO HYDROGEN ON METAL LOADED ZEOLITE CATALYST  

SciTech Connect

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

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

2005-08-01T23:59:59.000Z

452

Hydrogen Compatibility of Materials  

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

Compatibility of Materials Compatibility of Materials August 13, 2013 DOE EERE Fuel Cell Technologies Office Webinar Chris San Marchi Sandia National Laboratories Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000 SAND2013-6278P 2 Webinar Objectives * Provide context for hydrogen embrittlement and hydrogen compatibility of materials - Distinguish embrittlement, compatibility and suitability - Examples of hydrogen embrittlement * Historical perspective - Previous work on hydrogen compatibility - Motivation of "Materials Guide" * Identify the landscape of materials compatibility documents

453

Hydrogen Generation by Electrolysis  

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

Better Engineered Solutions. Better Engineered Solutions. What Listening Generates. Better Engineered Solutions. What Listening Generates. Hydrogen Generation by Electrolysis September 2004 Steve Cohen Hydrogen Generation by Electrolysis September 2004 Steve Cohen NREL H 2 Electrolysis - Utility Integration Workshop NREL H 2 Electrolysis - Utility Integration Workshop 2 Hydrogen Generation by Electrolysis Hydrogen Generation by Electrolysis  Intro to Teledyne Energy Systems  H 2 Generator Basics & Major Subsystems  H 2 Generating & Storage System Overview  Electrolysis System Efficiency & Economics  Focus for Attaining DOE H 2 Production Cost Goals 3 Teledyne Energy Systems Locations - ISO 9001 Teledyne Energy Systems Locations - ISO 9001 Hunt Valley, Maryland  State-of-the-art thermoelectric,

454

Hydrogen permeation resistant barrier  

DOE Patents (OSTI)

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

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

1982-01-01T23:59:59.000Z

455

Hydrogen Generator Appliance  

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

lAbOrAtOry NG Workshop summary report - appeNDIX J slide presentation: hydrogen Generator appliance Gus Block, Nuvera Fuel Cells...

456

Module 2: Hydrogen Use  

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

This course covers the processes by which hydrogen is extracted, how it is stored and transported, and the inherent advantages and disadvantages of each method

457

Hydrogen | Department of Energy  

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

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

458

Hydrogen Production & Delivery  

Energy Savers (EERE)

* Address key materials needs for P&D: Membranes, Catalysts, PEC Devices, Reactors, and Tanks Hydrogen from Coal * Complete laboratory-scale development of separation and...

459

Renewable Hydrogen (Presentation)  

SciTech Connect

Presentation about the United State's dependence on oil, how energy solutions are challenging, and why hydrogen should be considered as a long-term alternative for transportation fuel.

Remick, R. J.

2009-11-16T23:59:59.000Z

460

Hydrogen Production & Delivery  

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

"2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation H2 and Fuel Cells Plenary "

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


461

Hydrogen Release Behavior  

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

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

462

Hydrogen permeation resistant barrier  

DOE Patents (OSTI)

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

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

1980-02-08T23:59:59.000Z

463

President's Hydrogen Fuel Initiative  

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

Hydrogen Infrastructure and Fuel Cell Technologies put on an Accelerated Schedule. President Bush commits a total $1.7 billion over first 5 years

464

Hydrogen Safety Knowledge Tools  

SciTech Connect

With hydrogen gaining acceptance as an energy carrier for fuel cell vehicles and stationary fuel cell applications, a new community of hydrogen users is emerging and continues to grow. With this growth has come the need to spread the word about safe practices for handling, storing, and using hydrogen. Like all energy forms, hydrogen can be used safely through proper procedures and engineering techniques. However, hydrogen involves a degree of risk that must be respected, and the importance of avoiding complacency or haste in the safe conduct and performance of projects involving hydrogen cannot be overstated. To encourage and promote the safe use of hydrogen, Pacific Northwest National Laboratory (PNNL) has developed and continues to enhance two software tools in support of the U.S. Department of Energy's Fuel Cell Technologies Program: the Hydrogen Safety Best Practices online manual (www.H2BestPractices.org) and the Hydrogen Incident Reporting and Lessons Learned database (www.H2Incidents.org).

Fassbender, Linda L.

2011-01-31T23:59:59.000Z

465

Hydrogen ion microlithography  

DOE Patents (OSTI)

Disclosed is a hydrogen ion microlithography process for use in microelectronic fabrication and semiconductor device processing. The process comprises the steps of providing a single layer of either an amorphous silicon or hydrogenated amorphous silicon material. A pattern is recorded in a selected layer of amorphous silicon or hydrogenated amorphous silicon materials by preferentially implanting hydrogen ions therein so as to permit the selected layer to serve as a mask-resist wafer suitable for subsequent development and device fabrication. The layer is developed to provide a surface pattern therein adaptable for subsequent use in microelectronic fabrication and semiconductor device processing. 6 figs.

Tsuo, Y.S.; Deb, S.K.

1990-10-02T23:59:59.000Z

466

Detroit Commuter Hydrogen Project  

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

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

467

Hydrogen Fuel Cells  

Fuel Cell Technologies Publication and Product Library (EERE)

The fuel cell — an energy conversion device that can efficiently capture and use the power of hydrogen — is the key to making it happen.

468

Department of Energy - Hydrogen  

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

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

469

Thin film hydrogen sensor  

DOE Patents (OSTI)

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

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

1994-01-01T23:59:59.000Z

470

Alternative Fuels Data Center: Hydrogen  

Alternative Fuels and Advanced Vehicles Data Center (EERE)

Hydrogen Hydrogen Printable Version Share this resource Send a link to Alternative Fuels Data Center: Hydrogen to someone by E-mail Share Alternative Fuels Data Center: Hydrogen on Facebook Tweet about Alternative Fuels Data Center: Hydrogen on Twitter Bookmark Alternative Fuels Data Center: Hydrogen on Google Bookmark Alternative Fuels Data Center: Hydrogen on Delicious Rank Alternative Fuels Data Center: Hydrogen on Digg Find More places to share Alternative Fuels Data Center: Hydrogen on AddThis.com... More in this section... Hydrogen Basics Benefits & Considerations Stations Vehicles Laws & Incentives Hydrogen Hydrogen is a potentially emissions-free alternative fuel that can be produced from diverse domestic energy sources. Research is under way to make hydrogen vehicles practical for widespread use.

471

FCT Hydrogen Production: Current Technology  

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

Current Technology to Current Technology to someone by E-mail Share FCT Hydrogen Production: Current Technology on Facebook Tweet about FCT Hydrogen Production: Current Technology on Twitter Bookmark FCT Hydrogen Production: Current Technology on Google Bookmark FCT Hydrogen Production: Current Technology on Delicious Rank FCT Hydrogen Production: Current Technology on Digg Find More places to share FCT Hydrogen Production: Current Technology on AddThis.com... Home Basics Current Technology Thermal Processes Electrolytic Processes Photolytic Processes R&D Activities Quick Links Hydrogen Delivery Hydrogen Storage Fuel Cells Technology Validation Manufacturing Codes & Standards Education Systems Analysis Contacts Current Technology The development of clean, sustainable, and cost-competitive hydrogen

472

Hydrogen Threshold Cost Calculation | Department of Energy  

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

Hydrogen Threshold Cost Calculation Hydrogen Threshold Cost Calculation DOE Hydrogen Program Record number11007, Hydrogen Threshold Cost Calculation, documents the methodology and...

473

Hydrogen Refueling Station Costs in Shanghai  

E-Print Network (OSTI)

high-pressure stationary hydrogen storage tanks. The storagehigh-pressure gaseous hydrogen storage containers, and atrailer Compressed hydrogen storage High-pressure hydrogen

Weinert, Jonathan X.; Shaojun, Liu; Ogden, Joan M; Jianxin, Ma

2006-01-01T23:59:59.000Z

474

Hydrogen Delivery - Basics | Department of Energy  

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

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

475

NREL: Hydrogen and Fuel Cells Research - Basics  

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

Hydrogen and Fuel Cell Basics Photo of vehicle filling up at renewable hydrogen fueling station. NREL's hydrogen fueling station dispenses hydrogen produced via renewable...

476

Combination moisture and hydrogen getter  

DOE Patents (OSTI)

A combination moisture and hydrogen getter comprises (a) a moisture getter comprising a readily oxidizable metal; and (b) a hydrogen getter comprising (1) a solid acetylenic compound and (2) a hydrogenation catalyst. A method of scavenging moisture from a closed container uses the combination moisture and hydrogen getter to irreversibly chemically reduce the moisture and chemically bind the resultant hydrogen.

Harrah, L.A.; Mead, K.E.; Smith, H.M.

1983-09-20T23:59:59.000Z

477

Electrochemical hydrogen Storage Systems  

SciTech Connect

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

Dr. Digby Macdonald

2010-08-09T23:59:59.000Z

478

Low-energy scattering of muonic hydrogen on hydrogen molecules: A semiclassical approach  

Science Journals Connector (OSTI)

The cross sections for low-energy scattering of muonic hydrogen on hydrogen molecules are calculated in a semiclassical approach. The molecular binding is described with the ‘‘mass-tensor approach’’ and the electronic screening corrections are calculated in the Glauber approximation. This rather simple computational scheme is applied to the scattering of d? on H2 and T2 and to the scattering of p? and t? on D2. The results obtained are compared to the values reported by Adamczak et al. [Muon Catalyzed Fusion 7, 309 (1992)]. © 1996 The American Physical Society.

A. Boukour; Ch. Leclercq-Willain; V. S. Melezhik

1996-05-01T23:59:59.000Z

479

DOE Hydrogen and Fuel Cells Program: Hydrogen Production  

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 Systems Integration U.S. Department of Energy Search help Home > Hydrogen Production Printable Version Hydrogen Production Hydrogen can be produced from diverse domestic feedstocks using a variety of process technologies. Hydrogen-containing compounds such as fossil fuels, biomass or even water can be a source of hydrogen. Thermochemical processes can be used to produce hydrogen from biomass and from fossil fuels such as coal, natural gas and petroleum. Power generated from sunlight, wind and nuclear sources can be used to produce hydrogen electrolytically. Sunlight alone can also drive photolytic production of

480

Ovonic Hydrogen Systems LLC formerly Texaco Ovonic Hydrogen Systems LLC |  

Open Energy Info (EERE)

Hydrogen Systems LLC formerly Texaco Ovonic Hydrogen Systems LLC Hydrogen Systems LLC formerly Texaco Ovonic Hydrogen Systems LLC Jump to: navigation, search Name Ovonic Hydrogen Systems LLC (formerly Texaco Ovonic Hydrogen Systems LLC) Place Rochester Hills, Michigan Zip 48309 Sector Hydro, Hydrogen, Vehicles Product It commercializes hydrogen storage technology based on metal-hydrides for portable and stationary power systems as well as fuel-cell vehicles. References Ovonic Hydrogen Systems LLC (formerly Texaco Ovonic Hydrogen Systems LLC)[1] LinkedIn Connections CrunchBase Profile No CrunchBase profile. Create one now! This article is a stub. You can help OpenEI by expanding it. Ovonic Hydrogen Systems LLC (formerly Texaco Ovonic Hydrogen Systems LLC) is a company located in Rochester Hills, Michigan . References

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.


481

Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines  

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

Project Objectives: To gain basic understanding of hydrogen permeation behavior and its impact on hydrogen embrittlement of pipeline steels under high gaseous pressures relevant to hydrogen gas transmission pipeline

482

Contact structure for use in catalytic distillation  

DOE Patents (OSTI)

A method is described for conducting catalytic chemical reactions and fractionation of the reaction mixture comprising feeding reactants into a distillation column reactor, contracting said reactant in liquid phase with a fixed bed catalyst in the form of a contact catalyst structure consisting of closed porous containers containing the catalyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column. 7 figs.

Jones, E.M. Jr.

1984-03-27T23:59:59.000Z

483

Contact structure for use in catalytic distillation  

DOE Patents (OSTI)

A method and apparatus are disclosed for conducting catalytic chemical reactions and fractionation of the reaction mixture, comprising and feeding reactants into a distillation column reactor contracting said reactant in a liquid phase with a fixed bed catalyst in the form of a contact catalyst structure, consisting of closed porous containers containing the catalyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column. 7 figs.

Jones, E.M. Jr.

1985-08-20T23:59:59.000Z

484

Contact structure for use in catalytic distillation  

DOE Patents (OSTI)

A method for conducting catalytic chemical reactions and fractionation of the reaction mixture comprising feeding reactants into a distillation column reactor contracting said reactant in liquid phase with a fixed bed catalyst in the form of a contact catalyst structure consisting of closed porous containers containing the catatlyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column.

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

1984-01-01T23:59:59.000Z

485

Contact structure for use in catalytic distillation  

DOE Patents (OSTI)

A method and apparatus for conducting catalytic chemical reactions and fractionation of the reaction mixture, comprising and feeding reactants into a distillation column reactor contracting said reactant in a liquid phase with a fixed bed catalyst in the form of a contact catalyst structure, consisting of closed porous containers containing the catalyst for the reaction and a clip means to hold and support said containers, which are disposed above, i.e., on the distillation trays in the tower. The trays have weir means to provide a liquid level on the trays to substantially cover the containers. In other words, the trays function in their ordinary manner with the addition thereto of the catalyst. The reaction mixture is concurrently fractionated in the column.

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

1985-01-01T23:59:59.000Z

486

Process for producing carbon monoxide and hydrogen from methanol  

SciTech Connect

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

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

1982-02-23T23:59:59.000Z

487

Hydrogen storage in heat welded random CNT network structures  

Science Journals Connector (OSTI)

Abstract The objective of this study is to investigate hydrogen storage capability of heat welded random carbon nanotube (CNT) network structures. To achieve this objective, different three-dimensional random CNT network structures are generated by using a stochastic algorithm and molecular dynamic simulations. The interaction of CNT networks with hydrogen molecules is then examined via grand canonical Monte Carlo calculations. Hydrogen adsorption capacity of CNT networks having an arbitrarily natured morphology, adjustable porous structure and large surface ratio is investigated. The results show that if cross link density of random CNT networks decreases, hydrogen storage capability of CNT networks increases in terms of the gravimetric capacity. It is observed that random CNT networks could uptake 8.85 wt.% hydrogen at 77 K and this result is very comparable with the results reported in literature where generally ideal ordered nanostructures having no topological irregularities are considered.

Zeynel Ozturk; Cengiz Baykasoglu; Alper T. Celebi; Mesut Kirca; Ata Mugan; Albert C. To

2014-01-01T23:59:59.000Z

488

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

SciTech Connect

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

Ekerdt, John G.

1999-07-31T23:59:59.000Z

489

Microporous Metal Organic Materials for Hydrogen Storage  

SciTech Connect

We have examined a number of Metal Organic Framework Materials for their potential in hydrogen storage applications. Results obtained in this study may, in general, be summarized as follows: (1) We have identified a new family of porous metal organic framework materials with the compositions M (bdc) (ted){sub 0.5}, {l_brace}M = Zn or Co, bdc = biphenyl dicarboxylate and ted = triethylene diamine{r_brace} that adsorb large quantities of hydrogen ({approx}4.6 wt%) at 77 K and a hydrogen pressure of 50 atm. The modeling performed on these materials agree reasonably well with the experimental results. (2) In some instances, such as in Y{sub 2}(sdba){sub 3}, even though the modeling predicted the possibility of hydrogen adsorption (although only small quantities, {approx}1.2 wt%, 77 K, 50 atm. hydrogen), our experiments indicate that the sample does not adsorb any hydrogen. This may be related to the fact that the pores are extremely small or may be attributed to the lack of proper activation process. (3) Some samples such as Zn (tbip) (tbip = 5-tert butyl isophthalate) exhibit hysteresis characteristics in hydrogen sorption between adsorption and desorption runs. Modeling studies on this sample show good agreement with the desorption behavior. It is necessary to conduct additional studies to fully understand this behavior. (4) Molecular simulations have demonstrated the need to enhance the solid-fluid potential of interaction in order to achieve much higher adsorption amounts at room temperature. We speculate that this may be accomplished through incorporation of light transition metals, such as titanium and scandium, into the metal organic framework materials.

S. G. Sankar; Jing Li; Karl Johnson

2008-11-30T23:59:59.000Z

490

Tight-binding model for hydrogen-silicon interactions  

SciTech Connect

We have developed an empirical tight-binding model for use in molecular-dynamics simulations to study hydrogen-silicon systems. The hydrogen-silicon interaction is constructed to reproduce the electronic energy levels and vibration frequencies of silane (SiH{sub 4}). Further use of the model in the studies of disilane (Si{sub 2}H{sub 6}) and of hydrogen on the Si(111) surface also yields results in good agreement with first-principles calculations and experiments.

Min, B.J.; Lee, Y.H.; Wang, C.Z.; Chan, C.T.; Ho, K.M. (Microelectronics Research Center, Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States) Department of Physics and Astronomy, Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States))

1992-03-15T23:59:59.000Z

491

Investigation of hydrogen transfer in coprocessing using model systems  

SciTech Connect

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

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

1995-12-31T23:59:59.000Z

492

Efficient storage of hydrogen fuel into leaky cages of clathrate hydrate  

Science Journals Connector (OSTI)

We demonstrate an alternative principle to efficiently store molecular hydrogen fuel into clathrate hydrate medium. Hydrogen-free hydrate powders quickly absorb the hydrogen gas at moderate pressure appropriate for industrial applications. The absorption kinetics was observed in situ by nuclear magnetic resonance(NMR)spectroscopy in a pressurized tube. The diffusion of hydrogen through the solid hydrate medium was directly measured by pulsed field gradient NMR. At temperatures down to 250 K the stored hydrogen is still mobile so that the hydrate storage should work well even in cold environments.

Takuo Okuchi; Igor L. Moudrakovski; John. A. Ripmeester

2007-01-01T23:59:59.000Z

493

Co-Production of Substitute Natural Gas/Electricity Via Catalytic Coal Gasification  

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

9 9 Co-ProduCtion of SubStitute natural GaS / eleCtriCity via CatalytiC Coal GaSifiCation Description The United States has vast reserves of low-cost coal, estimated to be sufficient for the next 250 years. Gasification-based technology, such as Integrated Gasification Combined Cycle (IGCC), is the only environmentally friendly technology that provides the flexibility to co-produce hydrogen, substitute natural gas (SNG), premium hydrocarbon liquids including transportation fuels, and electric power in desired combinations from coal and other carbonaceous feedstocks. Rising costs and limited domestic supply of crude oil and natural gas provide a strong incentive for the development of coal gasification-based co-production processes. This project addresses the co-production of SNG and electricity from coal via gasification

494

First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts  

SciTech Connect

We adapt the computational hydrogen electrode approach to explicitly account for photo-generated charges and use it to computationally screen for viable catalyst/co-catalyst combinations for photo-catalytic water splitting. The hole energy necessary to thermodynamically drive the reaction is employed as descriptor for the screening process. Using this protocol and hybrid-level density-functional theory, we show that water oxidation on bare TiO{sub 2} surfaces is thermodynamically more complex than previously thought. This motivates a screening for suitable co-catalysts for this half-reaction, which we carry out for Au particles down to the non-scalable size regime. We find that almost all small Au clusters studied are better suited for water photo-oxidation than an extended Au(111) surface or bare TiO{sub 2} facets.

Oberhofer, Harald; Reuter, Karsten [Department Chemie, Technische Universität München, Lichtenbergstr. 4, D-85747 Garching (Germany)] [Department Chemie, Technische Universität München, Lichtenbergstr. 4, D-85747 Garching (Germany)

2013-07-28T23:59:59.000Z

495

Catalytic multi-stage liquefaction of coal. Ninth quarterly report, October 1, 1994--December 31, 1994  

SciTech Connect

This quarterly report covers the activities of Catalytic Multi-Stage Liquefaction of Coal during the Period October 1 - December 31, 1994, at Hydrocarbon Research, Inc. in Lawrenceville and Princeton, New Jersey. This DOE Contract Period was from December 8, 1992 to December 7, 1994 and has been extended to September 30, 1995. The overall objective of this program is to produce liquid fuels from coal by direct liquefaction at a cost that is competitive with conventional fuels. Specifically, this continuous bench-scale program contains provisions to examine new ideas in areas such as: low temperature pretreatments, more effective catalysts, on-line hydrotreating, new coal feedstocks, other hydrogen sources, more concentrated coal feeds and other highly responsive process improvements while assessing the design and economics of the bench-scale results. This quarterly report covers work on Laboratory Scale Studies, Continuous Bench-Scale Operations, Technical Assessment and Project Management.

Comolli, A.G.; Johnson, E.S.; Lee, L.K. [and others

1995-06-01T23:59:59.000Z

496

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

SciTech Connect

The objective of the proposed research is the demonstration and development of a novel biomass pyrolysis technology for the production of a stable bio-oil. The approach is to carry out catalytic hydrodeoxygenation (HDO) and upgrading together with pyrolysis in a single fluidized bed reactor with a unique two-level design that permits the physical separation of the two processes. The hydrogen required for the HDO will be generated in the catalytic section by the water-gas shift reaction employing recycled CO produced from the pyrolysis reaction itself. Thus, the use of a reactive recycle stream is another innovation in this technology. The catalysts will be designed in collaboration with BASF Catalysts LLC (formerly Engelhard Corporation), a leader in the manufacture of attrition-resistant cracking catalysts. The proposed work will include reactor modeling with state-of-the-art computational fluid dynamics in a supercomputer, and advanced kinetic analysis for optimization of bio-oil production. The stability of the bio-oil will be determined by viscosity, oxygen content, and acidity determinations in real and accelerated measurements. A multi-faceted team has been assembled to handle laboratory demonstration studies and computational analysis for optimization and scaleup.

Ted Oyama, Foster Agblevor, Francine Battaglia, Michael Klein

2013-01-18T23:59:59.000Z

497

The selective catalytic cracking of Fischer-Tropsch liquids to high value transportation fuels. Final report  

SciTech Connect

Amoco Oil Company, investigated a selective catalytic cracking process (FCC) to convert the Fischer-Tropsch (F-T) gasoline and wax fractions to high value transportation fuels. The primary tasks of this contract were to (1) optimize the catalyst and process conditions of the FCC process for maximum conversion of F-T wax into reactive olefins for later production of C{sub 4}{minus}C{sub 8} ethers, and (2) use the olefin-containing light naphtha obtained from FCC processing of the F-T wax as feedstock for the synthesis of ethers. The catalytic cracking of F-T wax feedstocks gave high conversions with low activity catalysts and low process severities. HZSM-5 and beta zeolite catalysts gave higher yields of propylene, isobutylene, and isoamylenes but a lower gasoline yield than Y zeolite catalysts. Catalyst selection and process optimization will depend on product valuation. For a given catalyst and process condition, Sasol and LaPorte waxes gave similar conversions and product selectivities. The contaminant iron F-T catalyst fines in the LaPorte wax caused higher coke and hydrogen yields.

Schwartz, M.M.; Reagon, W.J.; Nicholas, J.J.; Hughes, R.D.

1994-11-01T23:59:59.000Z

498

DOE Hydrogen Analysis Repository: Transition to Hydrogen Transportation  

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

Transition to Hydrogen Transportation Fuel Transition to Hydrogen Transportation Fuel Project Summary Full Title: A Smooth Transition to Hydrogen Transportation Fuel Project ID: 87 Principal Investigator: Gene Berry Brief Description: This project contrasts the options of decentralized production using the existing energy distribution network, and centralized production of hydrogen with a large-scale infrastructure. Keywords: Infrastructure; costs; hydrogen production Purpose The case for hydrogen-powered transportation requires an assessment of present and prospective methods for producing, storing, and delivering hydrogen. This project examines one potential pathway: on-site production of hydrogen to fuel light-duty vehicles. Performer Principal Investigator: Gene Berry Organization: Lawrence Livermore National Laboratory (LLNL)