National Library of Energy BETA

Sample records for liquid hydrogen methanol

  1. Liquid phase methanol reactor staging process for the production of methanol

    DOE Patents [OSTI]

    Bonnell, Leo W.; Perka, Alan T.; Roberts, George W.

    1988-01-01

    The present invention is a process for the production of methanol from a syngas feed containing carbon monoxide, carbon dioxide and hydrogen. Basically, the process is the combination of two liquid phase methanol reactors into a staging process, such that each reactor is operated to favor a particular reaction mechanism. In the first reactor, the operation is controlled to favor the hydrogenation of carbon monoxide, and in the second reactor, the operation is controlled so as to favor the hydrogenation of carbon dioxide. This staging process results in substantial increases in methanol yield.

  2. Method of steam reforming methanol to hydrogen

    DOE Patents [OSTI]

    Beshty, Bahjat S. (Lower Makefield, PA)

    1990-01-01

    The production of hydrogen by the catalyzed steam reforming of methanol is accomplished using a reformer of greatly reduced size and cost wherein a mixture of water and methanol is superheated to the gaseous state at temperatures of about 800.degree. to about 1,100.degree. F. and then fed to a reformer in direct contact with the catalyst bed contained therein, whereby the heat for the endothermic steam reforming reaction is derived directly from the superheated steam/methanol mixture.

  3. Liquid methanol under a static electric field

    SciTech Connect (OSTI)

    Cassone, Giuseppe; Giaquinta, Paolo V.; Saija, Franz; Saitta, A. Marco

    2015-02-07

    We report on an ab initio molecular dynamics study of liquid methanol under the effect of a static electric field. We found that the hydrogen-bond structure of methanol is more robust and persistent for field intensities below the molecular dissociation threshold whose value (?0.31 V/Ĺ) turns out to be moderately larger than the corresponding estimate obtained for liquid water. A sustained ionic current, with ohmic current-voltage behavior, flows in this material for field intensities above 0.36 V/Ĺ, as is also the case of water, but the resulting ionic conductivity (?0.40 S cm{sup ?1}) is at least one order of magnitude lower than that of water, a circumstance that evidences a lower efficiency of proton transfer processes. We surmise that this study may be relevant for the understanding of the properties and functioning of technological materials which exploit ionic conduction, such as direct-methanol fuel cells and Nafion membranes.

  4. Safetygram #9- Liquid Hydrogen

    Broader source: Energy.gov [DOE]

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

  5. Transport diffusion of liquid water and methanol through membranes...

    Office of Scientific and Technical Information (OSTI)

    Transport diffusion of liquid water and methanol through membranes Citation Details In-Document Search Title: Transport diffusion of liquid water and methanol through membranes The ...

  6. Method for making methanol

    DOE Patents [OSTI]

    Mednick, R. Lawrence; Blum, David B.

    1986-01-01

    Methanol is made in a liquid-phase methanol reactor by entraining a methanol-forming catalyst in an inert liquid and contacting said entrained catalyst with a synthesis gas comprising hydrogen and carbon monoxide.

  7. Method for making methanol

    DOE Patents [OSTI]

    Mednick, R. Lawrence; Blum, David B.

    1987-01-01

    Methanol is made in a liquid-phase methanol reactor by entraining a methanol-forming catalyst in an inert liquid and contacting said entrained catalyst with a synthesis gas comprising hydrogen and carbon monoxide.

  8. Environmental information volume: Liquid Phase Methanol (LPMEOH{trademark}) project

    SciTech Connect (OSTI)

    1996-05-01

    The purpose of this project is to demonstrate the commercial viability of the Liquid Phase Methanol Process using coal-derived synthesis gas, a mixture of hydrogen and carbon monoxide. This report describes the proposed actions, alternative to the proposed action, the existing environment at the coal gasification plant at Kingsport, Tennessee, environmental impacts, regulatory requirements, offsite fuel testing, and DME addition to methanol production. Appendices include the air permit application, solid waste permits, water permit, existing air permits, agency correspondence, and Eastman and Air Products literature.

  9. The Influence of Chain Dynamics on the Far Infrared Spectrum of Liquid Methanol-Water Mixtures

    SciTech Connect (OSTI)

    Woods, K.N.; Wiedemann, H.; /SLAC, SSRL

    2005-07-12

    Far-infrared absorption spectroscopy has been used to study the low frequency ({center_dot} 100 cm{sup -1}) intermolecular modes of methanol in mixtures with water. With the aid of a first principles molecular dynamics simulation on an equivalent system, a detailed understanding about the origin of the low frequency IR modes has been established. The total dipole spectrum from the simulation suggests that the bands appearing in the experimental spectra at approximately 55 cm{sup -1} and 70 cm{sup -1} in methanol and methanol-rich mixtures arise from both fluctuations and torsional motions occurring within the methanol hydrogen-bonded chains. The influence of these modes on both the solvation dynamics and the relaxation mechanisms in the liquid are discussed within the context of recent experimental and theoretical results that have emerged from studies focusing on the short time dynamics in the methanol hydrogen bond network.

  10. Air Liquide Hydrogen Energy | Open Energy Information

    Open Energy Info (EERE)

    Hydrogen Energy Jump to: navigation, search Logo: Air Liquide Hydrogen Energy Name: Air Liquide Hydrogen Energy Address: 6, Rue Cognacq-Jay Place: Paris, France Zip: 75321 Sector:...

  11. Liquid Hydrogen Delivery | Department of Energy

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

    Hydrogen Delivery » Liquid Hydrogen Delivery Liquid Hydrogen Delivery Hydrogen is most commonly transported and delivered as a liquid when high-volume transport is needed in the absence of pipelines. To liquefy hydrogen it must be cooled to cryogenic temperatures through a liquefaction process. Trucks transporting liquid hydrogen are referred to as liquid tankers. Liquefaction Gaseous hydrogen is liquefied by cooling it to below -253°C (-423°F). Once hydrogen is liquefied it can be stored at

  12. Liquid Hydrogen Absorber for MICE

    SciTech Connect (OSTI)

    Ishimoto, S.; Suzuki, S.; Yoshida, M.; Green, Michael A.; Kuno, Y.; Lau, Wing

    2010-05-30

    Liquid hydrogen absorbers for the Muon Ionization Cooling Experiment (MICE) have been developed, and the first absorber has been tested at KEK. In the preliminary test at KEK we have successfully filled the absorber with {approx}2 liters of liquid hydrogen. The measured hydrogen condensation speed was 2.5 liters/day at 1.0 bar. No hydrogen leakage to vacuum was found between 300 K and 20 K. The MICE experiment includes three AFC (absorber focusing coil) modules, each containing a 21 liter liquid hydrogen absorber made of aluminum. The AFC module has safety windows to separate its vacuum from that of neighboring modules. Liquid hydrogen is supplied from a cryocooler with cooling power 1.5 W at 4.2 K. The first absorber will be assembled in the AFC module and installed in MICE at RAL.

  13. Fuel and power coproduction: The Liquid Phase Methanol (LPMEOH{trademark}) process demonstration at Kingsport

    SciTech Connect (OSTI)

    Drown, D.P.; Brown, W.R.; Heydorn, E.C.; Moore, R.B.; Schaub, E.S.; Brown, D.M.; Jones, W.C.; Kornosky, R.M.

    1997-12-31

    The Liquid Phase Methanol (LPMEOH{trademark}) process uses a slurry bubble column reactor to convert syngas (primarily a mixture of carbon monoxide and hydrogen) to methanol. Because of its superior heat management, the process is able to be designed to directly handle the carbon monoxide (CO)-rich syngas characteristic of the gasification of coal, petroleum coke, residual oil, wastes, or of other hydrocarbon feedstocks. When added to an integrated gasification combined cycle (IGCC) power plant, the LPMEOH{trademark} process converts a portion of the CO-rich syngas produced by the gasifier to methanol, and the remainder of the unconverted gas is used to fuel the gas turbine combined-cycle power plant. The LPMEOH{trademark} process has the flexibility to operate in a daily electricity demand load-following manner. Coproduction of power and methanol via IGCC and the LPMEOH{trademark} process provides opportunities for energy storage for electrical demand peak shaving, clean fuel for export, and/or chemical methanol sales.

  14. Liquid-hydrogen-fueled passenger aircraft

    SciTech Connect (OSTI)

    Not Available

    1986-03-11

    This Chinese translation discusses the idea that passenger aircraft will eventually use liquid-hydrogen fuel. There is a large reserve of hydrogen and hydrogen poses no danger to the environment. Hydrogen has high calorific value, high specific heat, low density, and low temperature. Aircraft will have to have liquid fuel tanks to carry the hydrogen and will have to be partially redesigned. Lockheed and NASA have considered such designs. A problem remains in the planning--the high cost of large extraction of liquid hydrogen.

  15. Large-Scale Liquid Hydrogen Handling Equipment

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

    8, 2007 Jerry Gillette Large-Scale Liquid Hydrogen Handling Equipment Hydrogen Delivery Analysis Meeting Argonne National Laboratory Some Delivery Pathways Will Necessitate the Use of Large- Scale Liquid Hydrogen Handling Equipment „ Potential Scenarios include: - Production plant shutdowns - Summer-peak storage „ Equipment Needs include: - Storage tanks - Liquid Pumps - Vaporizers - Ancillaries 2 1 Concern is that Scaling up from Small Units Could Significantly Underestimate Costs of Larger

  16. Solvent Exchange in Liquid Methanol and Rate Theory

    SciTech Connect (OSTI)

    Dang, Liem X.; Schenter, Gregory K.

    2016-01-01

    To enhance our understanding of the solvent exchange mechanism in liquid methanol, we report a systematic study of this process using molecular dynamics simulations. We use transition state theory, the Impey-Madden-McDonald method, the reactive flux method, and Grote-Hynes theory to compute the rate constants for this process. Solvent coupling was found to dominate, resulting in a significantly small transmission coefficient. We predict a positive activation volume for the methanol exchange process. The essential features of the dynamics of the system as well as the pressure dependence are recovered from a Generalized Langevin Equation description of the dynamics. We find that the dynamics and response to anharmonicity can be decomposed into two time regimes, one corresponding to short time response (< 0.1 ps) and long time response (> 5 ps). An effective characterization of the process results from launching dynamics from the planar hypersurface corresponding to Grote-Hynes theory. This results in improved numerical convergence of correlation functions. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

  17. Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation

    SciTech Connect (OSTI)

    Grabow, Lars C.; Mavrikakis, Manos

    2011-03-04

    We present a comprehensive mean-field microkinetic model for the methanol synthesis and water-gas-shift (WGS) reactions that includes novel reaction intermediates, such as formic acid (HCOOH) and hydroxymethoxy (CH?O?) and allows for the formation of formic acid (HCOOH), formaldehyde (CH?O), and methyl formate (HCOOCH?) as byproducts. All input model parameters were initially derived from periodic, self-consistent, GGA-PW91 density functional theory calculations on the Cu(111) surface and subsequently fitted to published experimentalmethanol synthesis rate data, which were collected under realistic conditions on a commercial Cu/ZnO/Al?O? catalyst. We find that the WGS reaction follows the carboxyl (COOH)-mediated path and that both CO and CO? hydrogenation pathways are active for methanol synthesis. Under typical industrial methanol synthesis conditions, CO? hydrogenation is responsible for ?2/3 of the methanol produced. The intermediates of the CO? pathway for methanol synthesis include HCOO*, HCOOH*, CH?O?*, CH?O*, and CH?O*. The formation of formate (HCOO*) from CO?* and H* on Cu(111) does not involve an intermediate carbonate (CO?*) species, and hydrogenation of HCOO* leads to HCOOH* instead of dioxymethylene (H?CO?*). The effect of CO is not only promotional; CO* is also hydrogenated in significant amounts to HCO*, CH?O *, CH?O*, and CH?OH*. We considered two possibilities for CO promotion: (a) removal of OH* via COOH* to form CO? and hydrogen (WGS), and (b) CO-assisted hydrogenation of various surface intermediates, with HCO* being the H-donor. Only the former mechanism contributes to methanol formation, but its effect is small compared with that of direct CO hydrogenation to methanol. Overall, methanol synthesis rates are limited by methoxy (CH?O*) formation at low CO?/(CO+CO?) ratios and by CH?O* hydrogenation in CO?-rich feeds. CH?O* hydrogenation is the common slow step for both the CO and the CO? methanol synthesis routes; the relative contribution of

  18. Liquid phase methanol LaPorte process development unit: Modification, operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1990-11-09

    As part of the liquid phase methanol process development program the present study evaluated adsorptive schemes to remove catalyst poisons from coal gas at pilot scale. In addition to a lab test with coal gas from Coolwater, two field tests were performed at Great Plains with live coal gas. In the lab with Coolwater, gas iron carbonyl, carbonyl sulfide,and hydrogen sulfide were effectively removed from the coal gas. The capacities of H-Y zeolite and BPL carbon for Fe(CO){sub 5} agreed well with the previous bench scale results at similar CO{sub 2} partial pressure. COS appeared to be chemisorbed on FCA carbon; its capacity was non-regenerable by hot nitrogen purge. A Cu/Zn catalyst, used to remove H{sub 2}S adsorptively, worked adequately. With the adsorption system on-line, a downstream methanol catalyst showed stable activity for 120 hours of operation. In the two field tests, it was demonstrated that the Great Plains (GP) syngas could be treated by adsorption for LPMEOH process. The catalyst deactivation observed in the first field test was much improved in the second field test after regular (every three days) regeneration of the adsorbents was practiced. The absorption system, which was designed for the removal of iron/nickel carbonyls, hydrogen/carbonyl sulfide and hydrochloric acid, needed to be modified to accommodate other unexpected impurities, such as acetonitrile and ethylene which were observed during both field tests. A lab test with a simulated GP gas indicated that low CO{sub 2} content (0.5%) in the GP gas does not cause catalyst deactivation. Adjusting the CO{sub 2} content of the feed to 5% by CO{sub 2} addition, increased methanol productivity by 40% in both the lab and the second field test. 6 refs., 25 figs., 14 tabs.

  19. Energetics of Hydrogen Bond Network Rearrangements in Liquid...

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

    Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen ...

  20. Bio-Derived Liquids to Hydrogen Distributed Reforming Working...

    Office of Environmental Management (EM)

    Meeting - November 2007 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Meeting - November 2007 The Bio-Derived Liquids to Hydrogen Distributed Reforming ...

  1. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-24

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  2. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, Shabbir; Kumar, Romesh; Krumpelt, Michael

    1999-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  3. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-17

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  4. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, Shabbir; Kumar, Romesh; Krumpelt, Michael

    2001-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  5. HYDROGEN PRODUCTION FOR FUEL CELLS VIA REFORMING COAL-DERIVED METHANOL

    SciTech Connect (OSTI)

    Paul A. Erickson

    2005-04-01

    Hydrogen can be produced from many feedstocks including coal. The objectives of this project are to establish and prove a hydrogen production pathway from coal-derived methanol for fuel cell applications. This progress report is the sixth report submitted to the DOE reporting on the status and progress made during the course of the project. This report covers the time period of January 1-March 31, 2005. This quarter saw progress in four areas. These areas are: (1) Autothermal reforming of coal derived methanol, (2) Catalyst deactivation, (3) Steam reformer transient response, and (4) Catalyst degradation with bluff bodies. All of the projects are proceeding on or slightly ahead of schedule.

  6. HYDROGEN PRODUCTION FOR FUEL CELLS VIA REFORMING COAL-DERIVED METHANOL

    SciTech Connect (OSTI)

    Paul A. Erickson

    2004-04-01

    Hydrogen can be produced from many feed stocks including coal. The objectives of this project are to establish and prove a hydrogen production pathway from coal-derived methanol for fuel cell applications. This progress report is the second report submitted to the DOE reporting on the status and progress made during the course of the project. This report covers the time period of January 1--March 31, 2004. This quarter saw progress in five areas. These areas are: (1) Internal and external evaluations of coal based methanol and the fuel cell grade baseline fuel; (2) Experimental investigations of heat and mass transfer enhancement methods by flow field manipulation; (3) Design and set up of the autothermal reactor; (4) Steam reformation of Coal Based Methanol; and (5) Initial catalyst degradation studies. All of the projects are proceeding on or slightly ahead of schedule.

  7. Hydrogen from Bio-Derived Liquids (Presentation) | Department of Energy

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

    from Bio-Derived Liquids (Presentation) Hydrogen from Bio-Derived Liquids (Presentation) Presented at the 2007 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group held November 6, 2007 in Laurel, Maryland. 09_pnnl_h2_from_bio-derived_liquids.pdf (326.2 KB) More Documents & Publications Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG), Hydrogen Separation and Purification Working Group (PURIWG) & Hydrogen Production Technical Team Renewable

  8. Compressed/Liquid Hydrogen Tanks

    Broader source: Energy.gov [DOE]

    Currently, DOE's physical hydrogen storage R&D focuses on the development of high-pressure (10,000 psi) composite tanks, cryo-compressed tanks, conformable tanks, and other advanced concepts...

  9. Methane-methanol cycle for the thermochemical production of hydrogen

    DOE Patents [OSTI]

    Dreyfuss, Robert M.; Hickman, Robert G.

    1976-01-01

    A thermochemical reaction cycle for the generation of hydrogen from water comprising the following sequence of reactions wherein M represents a metal: CH.sub.4 + H.sub.2 O .fwdarw. CO + 3H.sub.2 (1) co + 2h.sub.2 .fwdarw. ch.sub.3 oh (2) ch.sub.3 oh + so.sub.2 + mo .fwdarw. mso.sub.4 + ch.sub.4 (3) mso.sub.4 .fwdarw. mo + so.sub.2 + 1/2o.sub.2 (4) the net reaction is the decomposition of water into hydrogen and oxygen.

  10. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures

    SciTech Connect (OSTI)

    Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.

    2015-04-07

    This article reports results from the molecular dynamics simulations on the structural arrangement of the ions and molecules in the mixtures of trihexyl(tetradecyl)phosphonium chloride ([P{sub 666,14}{sup +}][Cl{sup ?}]) ionic liquid (IL) and methanol (MeOH) over the entire composition range. Effects of composition on the charge and polarity orderings have been investigated via computation of X-ray scattering structure function, S(q), and by using a partitioning scheme proposed for such multi-component mixtures. Except for the neat methanol liquid, the total S(q) shows two peaks in its intermolecular region for all the mole-fractions. The lowest q peak is dominated primarily by anion-anion, cation-anion, and methanol-anion correlations. Our results signify that the methanol bulk structure, which predominantly has short-distance characteristic correlations and is governed by polar group of methanol, is retained for x{sub IL} ? 0.1. Then, the mixture goes through gradual structural changes from methanol-like to the IL-like for 0.1 < x{sub IL} ? 0.7. The dipolar interaction between methanol molecules weakens in this range, and the structural landscape of the mixture is steered by strong ion-ion, anion-methanol, and nonpolar interactions. The IL-like structural arrangement is virtually recovered for x{sub IL} > 0.7. At all the compositions studied, while the cation head groups are predominantly solvated by anions and subsequently by methanol molecules, the polar hydroxyl group of methanol is preferentially solvated by the anions. The radial distribution functions of selected pair of atomic species have also confirmed these observations.

  11. Hydrogen Production for Fuel Cells Via Reforming Coal-Derived Methanol

    SciTech Connect (OSTI)

    Paul A. Erickson

    2004-09-30

    Hydrogen can be produced from many feed stocks including coal. The objectives of this project are to establish and prove a hydrogen production pathway from coal-derived methanol for fuel cell applications. This progress report is the fourth report submitted to the DOE reporting on the status and progress made during the course of the project. This report covers the time period of July 1-Sept 30, 2004 along with a recap of progress from the start of the project on Oct 1, 2003 to Sept 30, 2004. All of the projects are proceeding on or slightly ahead of schedule. This year saw progress in several areas. These areas are: (1) External and internal evaluation of coal based methanol and a fuel cell grade baseline fuel, (2) Design set up and initial testing of three laboratory scale steam reformers, (3) Design, set up and initial testing of a laboratory scale autothermal reactor, (4) Hydrogen generation from coal-derived methanol using steam reformation, (5) Experiments to determine the axial and radial thermal profiles of the steam reformers, (6) Initial catalyst degradation studies with steam reformation and coal based methanol, and (7) Experimental investigations of heat and mass transfer enhancement methods by flow field manipulation. All of the projects are proceeding on or slightly ahead of schedule.

  12. The Influence of Chain Dynamics on theFar-Infrared Spectrum of Liquid Methanol

    SciTech Connect (OSTI)

    Woods, K.N.; Wiedemann, H.; /SLAC, SSRL

    2005-07-11

    Far-infrared absorption spectroscopy is used to investigate the low frequency ({center_dot} 100 cm{sup -1}) intermolecular interactions in liquid methanol. Using an intense source of far-infrared radiation, modes are elucidated at approximately 30 cm{sup -1} and 70 cm{sup -1} in the absorption spectrum. These modes are believed to arise from intermolecular bending and librational motions respectively and are successfully reproduced in an ab initio molecular dynamics simulation of methanol.

  13. Computational study of ion distributions at the air/liquid methanol interface

    SciTech Connect (OSTI)

    Sun, Xiuquan; Wick, Collin D.; Dang, Liem X.

    2011-06-16

    Molecular dynamic simulations with polarizable potentials were performed to systematically investigate the distribution of NaCl, NaBr, NaI, and SrCl2 at the air/liquid methanol interface. The density profiles indicated that there is no substantial enhancement of anions at the interface for the NaX systems in contrast to what was observed at the air/aqueous interface. The surfactant-like shape of the larger more polarizable halide anions is compensated by the surfactant nature of methanol itself. As a result, methanol hydroxy groups strongly interacted with one side of polarizable anions, in which their induced dipole points, and methanol methyl groups were more likely to be found near the positive pole of anion induced dipoles. Furthermore, salts were found to disrupt the surface structure of methanol, reducing the observed enhancement of methyl groups at the outer edge of the air/liquid methanol interface. With the additional of salts to methanol, the computed surface potentials increased, which is in contrast to what is observed in corresponding aqueous systems, where the surface potential decreases with the addition of salts. Both of these trends have been indirectly observed with experiments. This was found to be due to the propensity of anions for the air/water interface that is not present at the air/liquid methanol interface. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  14. A Theoretical Study of Methanol Synthesis from CO(2) Hydrogenation on Metal-doped Cu(111) Surfaces

    SciTech Connect (OSTI)

    Liu P.; Yang, Y.; White, M.G.

    2012-01-12

    Density functional theory (DFT) calculations and Kinetic Monte Carlo (KMC) simulations were employed to investigate the methanol synthesis reaction from CO{sub 2} hydrogenation (CO{sub 2} + 3H{sub 2} {yields} CH{sub 3}OH + H{sub 2}O) on metal-doped Cu(111) surfaces. Both the formate pathway and the reverse water-gas shift (RWGS) reaction followed by a CO hydrogenation pathway (RWGS + CO-Hydro) were considered in the study. Our calculations showed that the overall methanol yield increased in the sequence: Au/Cu(111) < Cu(111) < Pd/Cu(111) < Rh/Cu(111) < Pt/Cu(111) < Ni/Cu(111). On Au/Cu(111) and Cu(111), the formate pathway dominates the methanol production. Doping Au does not help the methanol synthesis on Cu(111). Pd, Rh, Pt, and Ni are able to promote the methanol production on Cu(111), where the conversion via the RWGS + CO-Hydro pathway is much faster than that via the formate pathway. Further kinetic analysis revealed that the methanol yield on Cu(111) was controlled by three factors: the dioxomethylene hydrogenation barrier, the CO binding energy, and the CO hydrogenation barrier. Accordingly, two possible descriptors are identified which can be used to describe the catalytic activity of Cu-based catalysts toward methanol synthesis. One is the activation barrier of dioxomethylene hydrogenation, and the other is the CO binding energy. An ideal Cu-based catalyst for the methanol synthesis via CO{sub 2} hydrogenation should be able to hydrogenate dioxomethylene easily and bond CO moderately, being strong enough to favor the desired CO hydrogenation rather than CO desorption but weak enough to prevent CO poisoning. In this way, the methanol production via both the formate and the RWGS + CO-Hydro pathways can be facilitated.

  15. HYDROGEN PRODUCTION FOR FUEL CELLS VIA REFORMING COAL-DERIVED METHANOL

    SciTech Connect (OSTI)

    Paul A. Erickson

    2006-01-01

    Hydrogen can be produced from many feedstocks including coal. The objectives of this project are to establish and prove a hydrogen production pathway from coal-derived methanol for fuel cell applications. This progress report is the ninth report submitted to the DOE reporting on the status and progress made during the course of the project. This report covers the time period of October 1, 2005-December 31, 2005. This quarter saw progress in four areas. These areas are: (1) reformate purification, (2) heat transfer enhancement, (3) autothermal reforming coal-derived methanol degradation test; and (4) model development for fuel cell system integration. The project is on schedule and is now shifting towards the design of an integrated PEM fuel cell system capable of using the coal-derived product. This system includes a membrane clean up unit and a commercially available PEM fuel cell.

  16. HYDROGEN PRODUCTION FOR FUEL CELLS VIA REFORMING COAL-DERIVED METHANOL

    SciTech Connect (OSTI)

    Paul A. Erickson

    2006-04-01

    Hydrogen can be produced from many feedstocks including coal. The objectives of this project are to establish and prove a hydrogen production pathway from coal-derived methanol for fuel cell applications. This progress report is the tenth report submitted to the DOE reporting on the status and progress made during the course of the project. This report covers the time period of January 1-March 31, 2006. This quarter saw progress in six areas. These areas are: (1) The effect of catalyst dimension on steam reforming, (2) Transient characteristics of autothermal reforming, (3) Rich and lean autothermal reformation startup, (4) Autothermal reformation degradation with coal derived methanol, (5) Reformate purification system, and (6) Fuel cell system integration. All of the projects are proceeding on or slightly ahead of schedule.

  17. Hydrogen Production for Fuel Cells Via Reforming Coal-Derived Methanol

    SciTech Connect (OSTI)

    Paul A. Erickson

    2005-06-30

    Hydrogen can be produced from many feedstocks including coal. The objectives of this project are to establish and prove a hydrogen production pathway from coal-derived methanol for fuel cell applications. This progress report is the seventh report submitted to the DOE reporting on the status and progress made during the course of the project. This report covers the time period of April 1-June 31, 2005. This quarter saw progress in these areas. These areas are: (1) Steam reformer transient response, (2) Heat transfer enhancement, (3) Catalyst degradation, (4) Catalyst degradation with bluff bodies, and (5) Autothermal reforming of coal-derived methanol. All of the projects are proceeding on or slightly ahead of schedule.

  18. Bio-Derived Liquids to Hydrogen Distributed Reforming Targets (Presentation)

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

    Distributed Reforming Targets Arlene F. Anderson Technology Development Manager, U.S. DOE Office of Energy Efficiency and Renewable Energy Hydrogen, Fuel Cells and Infrastructure Technologies Program Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group and Hydrogen Production Technical Team Review November 6, 2007 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG) The Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG), launched

  19. Kinetic and thermodynamic study of the liquid-phase etherification of isoamylenes with methanol

    SciTech Connect (OSTI)

    Piccoli, R.L. ); Lovisi, H.R. )

    1995-02-01

    The kinetics and thermodynamics of liquid-phase etherification of isoamylenes with methanol on ion exchange catalyst (Amberlyst 15) were studied. Thermodynamic properties and rate data were obtained in a batch reactor operating under 1,013 kPa and 323--353 K. The kinetic equation was modeled following the Langmuir-Hinshelwood-Hougen-Watson formalism according to a proposed surface mechanism where the rate-controlling step is the surface reaction. According to the experimental results, methanol adsorbs very strongly on the active sites, covering them completely, and thus the reaction follows an apparent first-order behavior. The isoamylenes, according to the proposed mechanism, adsorb simultaneously on the same single active center already occupied by methanol, migrating through the liquid layer formed by the alcohol around the catalyst to react in the acidic site. From the proposed mechanism a model was suggested and the kinetic and thermodynamic parameters were obtained using nonlinear estimation methods.

  20. Liquid phase methanol LaPorte process development unit: Modification, operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1991-02-02

    This report consists of Detailed Data Acquisition Sheets for Runs E-6 and E-7 for Task 2.2 of the Modification, Operation, and Support Studies of the Liquid Phase Methanol Laporte Process Development Unit. (Task 2.2: Alternate Catalyst Run E-6 and Catalyst Activity Maintenance Run E-7).

  1. Hydrogen production from the steam reforming of Dinethyl Ether and Methanol

    SciTech Connect (OSTI)

    Semelsberger, T. A.; Borup, R. L.

    2004-01-01

    This study investigates dimethyl ether (DME) steam reforming for the generation of hydrogen rich fuel cell feeds for fuel cell applications. Methanol has long been considered as a fuel for the generation of hydrogen rich fuel cell feeds due to its high energy density, low reforming temperature, and zero impurity content. However, it has not been accepted as the fuel of choice due its current limited availability, toxicity and corrosiveness. While methanol steam reforming for the generation of hydrogen rich fuel cell feeds has been extensively studied, the steam reforming of DME, CH{sub 3}OCH{sub 3} + 3H{sub 2}O = 2CO{sub 2} + 6H{sub 2}, has had limited research effort. DME is the simplest ether (CH{sub 3}OCH{sub 3}) and is a gas at ambient conditions. DME has physical properties similar to those of LPG fuels (i.e. propane and butane), resulting in similar storage and handling considerations. DME is currently used as an aerosol propellant and has been considercd as a diesel substitute due to the reduced NOx, SOx and particulate emissions. DME is also being considered as a substitute for LPG fuels, which is used extensively in Asia as a fuel for heating and cooking, and naptha, which is used for power generation. The potential advantages of both methanol and DME include low reforming temperature, decreased fuel proccssor startup energy, environmentally benign, visible flame, high heating value, and ease of storage and transportation. In addition, DME has the added advantages of low toxicity and being non-corrosive. Consequently, DME may be an ideal candidate for the generation of hydrogen rich fuel cell feeds for both automotive and portable power applications. The steam reforming of DME has been demonstrated to occur through a pair of reactions in series, where the first reaction is DME hydration followed by MeOH steam reforming to produce a hydrogen rich stream.

  2. Cryocompressed Hydrogen Storage and Liquid Delivery

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

    Cryocompressed Hydrogen Storage & Liquid Delivery Jacob Leachman, Ph.D. Assistant Professor DOE H 2 Transmission & Delivery Workshop 2/26/2014 H Y P E R H drogen roperties for nergy esearch This presentation does not contain any proprietary, confidential, or otherwise restricted information. Jacob Leachman * DOE H 2 Transmission & Distribution Workshop * 2/25/2014 H Y P E R Why Cryogenic Hydrogen? * LH 2 tanker trucks delivered 80-90 % of total small merchant H 2 in 2010. 1 * Cryo-H

  3. Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group

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

    (BILIWG), Hydrogen Separation and Purification Working Group (PURIWG) & Hydrogen Production Technical Team | Department of Energy Working Group (BILIWG), Hydrogen Separation and Purification Working Group (PURIWG) & Hydrogen Production Technical Team Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG), Hydrogen Separation and Purification Working Group (PURIWG) & Hydrogen Production Technical Team 2007 Annual and Merit Review Reports compiled for the

  4. Agenda for the Derived Liquids to Hydrogen Distributed Reforming Working

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

    Group (BILIWG) Hydrogen Production Technical Team Research Review | Department of Energy Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG) Hydrogen Production Technical Team Research Review Agenda for the Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG) Hydrogen Production Technical Team Research Review This is the agenda for the working group sessions held in Laurel, Maryland on November 6, 2007. biliwg_agenda.pdf (145.59 KB) More Documents

  5. Toward new solid and liquid phase systems for the containment, transport and delivery of hydrogen

    Broader source: Energy.gov [DOE]

    Toward new solid and liquid phase systems for the containment, transport and delivery of hydrogen.Solid and liquid hydrogen carriers for use in hydrogen storage and delivery.

  6. COMMERCIAL-SCALE DEMONSTRATION OF THE LIQUID PHASE METHANOL (LPMEOH) PROCESS

    SciTech Connect (OSTI)

    E.C. Heydorn; B.W. Diamond; R.D. Lilly

    2003-06-01

    This project, which was sponsored by the U.S. Department of Energy (DOE) under the Clean Coal Technology Program to demonstrate the production of methanol from coal-derived synthesis gas (syngas), has completed the 69-month operating phase of the program. The purpose of this Final Report for the ''Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) Process'' is to provide the public with details on the performance and economics of the technology. The LPMEOH{trademark} Demonstration Project was a $213.7 million cooperative agreement between the DOE and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). The DOE's cost share was $92,708,370 with the remaining funds coming from the Partnership. The LPMEOH{trademark} demonstration unit is located at the Eastman Chemical Company (Eastman) chemicals-from-coal complex in Kingsport, Tennessee. The technology was the product of a cooperative development effort by Air Products and Chemicals, Inc. (Air Products) and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} Process is ideally suited for directly processing gases produced by modern coal gasifiers. Originally tested at the Alternative Fuels Development Unit (AFDU), a small, DOE-owned process development facility in LaPorte, Texas, the technology provides several improvements essential for the economic coproduction of methanol and electricity directly from gasified coal. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface, protecting the catalyst, and allowing the methanol synthesis reaction to proceed at higher rates. The LPMEOH{trademark} Demonstration Project accomplished the objectives set out in the Cooperative Agreement with DOE for this Clean Coal Technology project

  7. Hydrogenation of coal liquid utilizing a metal carbonyl catalyst

    DOE Patents [OSTI]

    Feder, Harold M.; Rathke, Jerome W.

    1979-01-01

    Coal liquid having a dissolved transition metal, catalyst as a carbonyl complex such as Co.sub.2 (CO.sub.8) is hydrogenated with hydrogen gas or a hydrogen donor. A dissociating solvent contacts the coal liquid during hydrogenation to form an immiscible liquid mixture at a high carbon monoxide pressure. The dissociating solvent, e.g. ethylene glycol, is of moderate coordinating ability, while sufficiently polar to solvate the transition metal as a complex cation along with a transition metal, carbonyl anion in solution at a decreased carbon monoxide pressure. The carbon monoxide pressure is reduced and the liquids are separated to recover the hydrogenated coal liquid as product. The dissociating solvent with the catalyst in ionized form is recycled to the hydrogenation step at the elevated carbon monoxide pressure for reforming the catalyst complex within fresh coal liquid.

  8. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-09-30

    The Liquid Phase Methanol (LPMEOHT") demonstration project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L. P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. A demonstration unit producing 80,000 gallons per day (260 tons-per-day) of methanol from coal-derived synthesis gas (syngas) was designed, constructed, and is operating at a site located at the Eastman complex in Kingsport. The Partnership will own and operate the facility for the four-year demonstration period. This project is sponsored under the DOE's Clean Coal Technology Program, and its primary objective is to "demonstrate the production of methanol using the LPMEOWM Process in conjunction with an integrated coal gasification facility." The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fiel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four-year demonstration period. The LPMEOITM process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfdly piloted at a 10 tons-per- day (TPD) rate in the DOE-owned experimental unit at Air Products' LaPorte, Texas, site. This demonstration project is the culmination of that extensive cooperative development effort.

  9. Commercial-Scale Demonstration of the Liquid Phase Methanol (LOMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-12-31

    The Liquid Phase Methanol (LPMEOH) Demonstration Project at Kingsport, Tennessee, is a $213.7 million effort being conducted under a cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. A demonstration unit producing 80,000 gallons per day (260 tons-per-day (TPD)) of methanol from coal-derived synthesis gas (syngas) was designed, constructed, and began a four-year operational period in April of 1997 at a site located at the Eastman complex in Kingsport. The Partnership will own and operate the facility for the four-year demonstration period. This project is sponsored under the DOE's Clean Coal Technology Program, and its primary objective is to "demonstrate the production of methanol using the LPMEOH?M Process in conjunction with an integrated coal gasification facility." The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fiel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four-year demonstration period. The LPMEOJYM process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfidly piloted at a 10-TPD rate in the DOE-owned experimental unit at Air Products' LaPorte, Texas, site. This Demonstration Project is the culmination of that extensive cooperative development effort.

  10. Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for

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

    Automotive Applications | Department of Energy Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications Technical report describing the U.S. Department of Energy's (DOE) assessment of the performance and cost of organic liquid based hydrogen storage systems for automotive applications. The on-board system performance (by Argonne National Lab) and high-volume

  11. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print Wednesday, 25 May 2005 00:00 The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the

  12. Temperature effects on the behavior of liquid hydrogen isotopes...

    Office of Scientific and Technical Information (OSTI)

    liquid hydrogen isotopes inside a spherical-shell directly driven inertial confinement fusion target Kim, K.; Mok, L.S. 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; LASER TARGETS;...

  13. Bio-Derived Liquids to Hydrogen Distributed Reforming Working...

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

    The Working Group is addressing technical challenges to distributed reforming of biomass-derived, renewable liquid fuels to hydrogen, including the reforming, water-gas shift, and ...

  14. Bio-Derived Liquids to Hydrogen Distributed Reforming Targets (Presentation)

    Broader source: Energy.gov [DOE]

    Presented at the 2007 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group held November 6, 2007 in Laurel, Maryland.

  15. Technical Assessment of Organic Liquid Carrier Hydrogen Storage...

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

    Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications Technical report describing the U.S. Department of Energy's (DOE) assessment of ...

  16. Bio-Derived Liquids to Hydrogen Distributed Reforming Targets

    Broader source: Energy.gov [DOE]

    Presentation by Arlene Anderson at the October 24, 2006 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Kick-Off Meeting.

  17. Commercial-Scale Demonstration of the Liquid Phase methanol (LPMEOH) Process A DOE Assessment

    SciTech Connect (OSTI)

    National Energy Technology Laboratory

    2003-10-27

    The U.S. Department of Energy (DOE) Clean Coal Technology (CCT) Program seeks to offer the energy marketplace more efficient and environmentally benign coal utilization technology options by demonstrating them in industrial settings. This document is a DOE post-project assessment (PPA) of one of the projects selected in Round III of the CCT Program, the commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) Process, initially described in a Report to Congress by DOE in 1992. Methanol is an important, large-volume chemical with many uses. The desire to demonstrate a new process for the production of methanol from coal, prompted Air Products and Chemicals, Inc. (Air Products) to submit a proposal to DOE. In October 1992, DOE awarded a cooperative agreement to Air Products to conduct this project. In March 1995, this cooperative agreement was transferred to Air Products Liquid Phase Conversion Company, L.P. (the Partnership), a partnership between Air Products and Eastman Chemical Company (Eastman). DOE provided 43 percent of the total project funding of $213.7 million. Operation of the LPMEOH Demonstration Unit, which is sited at Eastman's chemicals-from-coal complex in Kingsport, Tennessee, commenced in April 1997. Although operation of the CCT project was completed in December 2002, Eastman continues to operate the LPMEOH Demonstration Unit for the production of methanol. The independent evaluation contained herein is based primarily on information from Volume 2 of the project's Final Report (Air Products Liquid Phase Conversion Co., L.P. 2003), as well as other references cited.

  18. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOTH) Process

    SciTech Connect (OSTI)

    1998-12-21

    The Liquid Phase Methanol (LPMEOW) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership) to produce methanol from coal-derived synthesis gas (syngas). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOI-P Process Demonstration Unit was built at a site located at the Eastman coal-to-chemicals complex in Kingsport. During this quarter, initial planning and procurement work continued on the seven project sites which have been accepted for participation in the off-site, product-use test program. Approximately 12,000 gallons of fuel-grade methanol (98+ wt% methanol, 4 wt% water) produced during operation on carbon monoxide (CO)-rich syngas at the LPMEOW Demonstration Unit was loaded into trailers and shipped off-site for Mure product-use testing. At one of the projects, three buses have been tested on chemical-grade methanol and on fhel-grade methanol from the LPMEOW Demonstration Project. During the reporting period, planning for a proof-of-concept test run of the Liquid Phase Dimethyl Ether (LPDME~ Process at the Alternative Fuels Development Unit (AFDU) in LaPorte, TX continued. The commercial catalyst manufacturer (Calsicat) has prepared the first batch of dehydration catalyst in large-scale equipment. Air Products will test a sample of this material in the laboratory autoclave. Catalyst activity, as defined by the ratio of the rate constant at any point in time to the rate constant for freshly reduced catalyst (as determined in the laborato~ autoclave), was monitored for the initial extended operation at the lower initial reactor operating temperature of 235oC. At this condition, the decrease in catalyst activity with time from the period 20 December 1997 through 27 January 1998 occurred at a rate of 1.0% per

  19. Hydrogen Production: Biomass-Derived Liquid Reforming | Department of

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

    Energy Biomass-Derived Liquid Reforming Hydrogen Production: Biomass-Derived Liquid Reforming Photo of cylindrical reactor vessel and associated piping and equipment in the Thermochemical Process Development Unit at NREL Liquids derived from biomass resources-including ethanol and bio-oils-can be reformed to produce hydrogen in a process similar to natural gas reforming. Biomass-derived liquids can be transported more easily than their biomass feedstocks, allowing for semi-central

  20. C1 Chemistry for the Production of Ultra-Clean Liquid Transportation Fuels and Hydrogen

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2006-03-30

    Professors and graduate students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of liquid transportation fuel and hydrogen from domestically plentiful resources such as coal, coalbed methane, and hydrocarbon gases and liquids produced from coal. An Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, the Air Force Research Laboratory, the U.S. Army National Automotive Center, and Tier Associates provides guidance on the practicality of the research. The current report summarizes the results obtained in this program during the period October 1, 2002 through March 31, 2006. The results are presented in detailed reports on 16 research projects headed by professors at each of the five CFFS Universities and an Executive Summary. Some of the highlights from these results are: (1) Small ({approx}1%) additions of acetylene or other alkynes to the Fischer-Tropsch (F-T) reaction increases its yield, causes chain initiation, and promotes oxygenate formation. (2) The addition of Mo to Fe-Cu-K/AC F-T catalysts improves catalyst lifetime and activity. (3) The use of gas phase deposition to place highly dispersed metal catalysts on silica or ceria aerogels offers promise for both the F-T and the water-gas shift WGS reactions. (4) Improved activity and selectivity are exhibited by Co F-T catalysts in supercritical hexane. (5) Binary Fe

  1. Commercial-Scale Demonstration of the Liquid Phase Methanol (LOMEOH(TM)) Process

    SciTech Connect (OSTI)

    1996-03-31

    The Liquid Phase Methanol (LPMEOEP") Demonstration Project at K.ingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L, P. (the Partnership). The LPMEOHY Process Demonstration Unit is being built at a site located at the Eastman Chemical Company (Eastman) complex in Kingsport. On 4 October 1994, Air Products and Chemicals, Inc. (Air Products) and signed the agreements that would form the Partnership, secure the demonstration site, and provide the financial commitment and overall project management for the project. These partnership agreements became effective on 15 March 1995, when DOE authorized the commencement of Budget Period No. 2 (Mod. AO08 to the Cooperative Agreement). The Partnership has subcontracted with Air Products to provide the overall management of the project, and to act as the primary interface with DOE. As subcontractor to the Partnership, Air Products will also provide the engineering design, procurement, construction, and commissioning of the LPMEOHTM Process Demonstration Unit, and will provide the technical and engineering supervision needed to conduct the operational testing program required as part of the project. As subcontractor to Air Products, Eastman will be responsible for operation of the LPMEOHTM Process Demonstration Unit, and for the interconnection and supply of synthesis gas, utilities, product storage, and other needed sewices. The project involves the construction of an 80,000 gallons per day (260 tons-per-day (TPD)) methanol unit utilizing coal-derived synthesis gas fi-om Eastman's integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that

  2. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1996-12-31

    The Liquid Phase Methanol (LPMEOH(TM)) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). The LPMEOIWM Process Demonstration Unit is being built at a site located at the Eastman Chemical Company (Eastman) complex in Kingsport. During this quarter, the Cooperative Agreement was modified (Mod AO11) on 8 October 1996, authorizing the transition born Budget Period No. 2 (Design and Construction) to the . final Budget Period (Commissioning, Start-up, and Operation), A draft Topical Report on Process Economics Studies concludes that methanol coproduction with integrated gasification combined cycle (IGCC) electric power utilizing the LPMEOW process technology, will be competitive in serving local market needs. Planning for a proof-of- concept test run of the liquid phase dimethyl ether (DME) process at the LaPorte Alternative Fuels Development Unit (AFDU) was recommended; and a deeision to proceed is pending. Construction (Task 2.2) is 97'Mo complete, asof31 December 1996. Completion of pipe pressure testing has taken longer than expected. This will delay completion of construction by about three weeks. Commissioning activities (Task 2.3) commenced in mid-October of 1996, and the demonstration unit is scheduled to be mechanically complete on 24 January 1997.

  3. Final environmental assessment for the Liquid Phase Methanol (LPMEOH{trademark}) Project

    SciTech Connect (OSTI)

    1995-06-01

    The proposed project is to demonstrate on a commercial scale the production of methanol from coal-derived synthesis gas using the LPMEOH{trademark} process. The methanol produced during this demonstration will be used as a chemical feedstock (on-site) and/or as an alternative fuel in stationary and transportation applications (off-site). In addition, the production of dimethyl ether (DME) as a mixed co-product with methanol may be demonstrated for a six month period under the proposed project pending the results of laboratory/pilot-scale research on scale-up. The DME would be used as fuel in on-site boilers. The proposed LPMEOH facility would occupy approximately 0.6 acres of the 3,890-acre Eastman Chemical facility in Kingsport, TN. The effects of the proposed project include changes in air emissions, wastewater discharge, cooling water discharge, liquid waste quantities, transportation activities, socioeconomic effects, and quantity of solids for disposal. No substantive negative impacts or environmental concerns were identified.

  4. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived

  5. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived

  6. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived

  7. Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group |

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

    Department of Energy Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group The Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG), launched in October 2006, provides a forum for effective communication and collaboration among participants in DOE Fuel Cell Technologies Office (FCT) cost-shared research directed at distributed bio-liquid reforming. The Working Group includes individuals from DOE, the national laboratories, industry, and academia.

  8. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived

  9. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived

  10. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived

  11. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived

  12. Liquid composition having ammonia borane and decomposing to form hydrogen and liquid reaction product

    DOE Patents [OSTI]

    Davis, Benjamin L; Rekken, Brian D

    2014-04-01

    Liquid compositions of ammonia borane and a suitably chosen amine borane material were prepared and subjected to conditions suitable for their thermal decomposition in a closed system that resulted in hydrogen and a liquid reaction product.

  13. Electron-stimulated reactions in layered CO/H2O films: Hydrogen atom diffusion and the sequential hydrogenation of CO to methanol

    SciTech Connect (OSTI)

    Petrik, Nikolay G.; Monckton, Rhiannon J.; Koehler, Sven; Kimmel, Gregory A.

    2014-05-28

    Low-energy (100 eV) electron-stimulated reactions in layered H2O/CO/H2O ices are investigated. For CO trapped within approximately 50 ML of the vacuum interface in the amorphous solid water (ASW) films, both oxidation and reduction reactions are observed. However for CO buried more deeply in the film, only the reduction of CO to methanol is observed. Experiments with layered films of H2O and D2O show that the hydrogen atoms participating in the reduction of the buried CO originate in region from ~10 – 40 ML below the surface of the ASW films and subsequently diffuse through the film. For deeply buried CO layers, the CO reduction reactions quickly increase with temperature above ~60 K. We present a simple chemical kinetic model that treats the diffusion of hydrogen atoms in the ASW and sequential hydrogenation of the CO to methanol that accounts for the observations.

  14. Bio-Derived Liquids to Hydrogen Distributed Reforming Targets...

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

    Presented at the 2007 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group held November 6, 2007 in Laurel, Maryland. PDF icon 01doebio-derivedliquidstoh2refor...

  15. Agenda for the Derived Liquids to Hydrogen Distributed Reforming...

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

    Anderson o H2A Overview, NREL, Darlene Steward o Bio-Derived Liquids to Hydrogen ... Bio-Oil Reforming, NREL, Darlene Steward o High Pressure Steam Ethanol Reforming, ...

  16. Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: Harmonic constraints for methanol dimer

    SciTech Connect (OSTI)

    Heger, Matthias; Suhm, Martin A.; Mata, Ricardo A.

    2014-09-14

    The discrepancy between experimental and harmonically predicted shifts of the OH stretching fundamental of methanol upon hydrogen bonding to a second methanol unit is too large to be blamed mostly on diagonal and off-diagonal anharmonicity corrections. It is shown that a decisive contribution comes from post-MP2 electron correlation effects, which appear not to be captured by any of the popular density functionals. We also identify that the major deficiency is in the description of the donor OH bond. Together with estimates for the electronic and harmonically zero-point corrected dimer binding energies, this work provides essential constraints for a quantitative description of this simple hydrogen bond. The spectroscopic dissociation energy is predicted to be larger than 18 kJ/mol and the harmonic OH-stretching fundamental shifts by about ?121 cm{sup ?1} upon dimerization, somewhat more than in the anharmonic experiment (?111 cm{sup ?1})

  17. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-09-30

    The Liquid Phase Methanol (LPMEOH) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Ak Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOITM Process Demonstration Unit was built at a site located at the Eastman complex in Kingsport. During this reporting period, DOE accepted the recommendation to continue with dimethyl ether (DME) design verification testing (DVT). DME design verification testing studies show the liquid phase DME (LPDME) process will have a significant economic advantage for the coproduction of DME for local markets. An LPDME catalyst system with reasonable long-term activity and stzibility is being developed. Planning for a proof-of-concept test run at the LaPorte Alternative Fuels Development Unit (AFDU) was recommended. DOE issued a letter dated 31 July 1997 accepting the recommendation to continue design verification testing. In order to allow for scale-up of the manufacturing technique for the dehydration catalyst from the pilot plant to the commercial scale, the time required to produce the catalyst to the AFDU has slipped. The new estimated delivery date is 01 June 1998.

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

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2004-09-30

    The Consortium for Fossil Fuel Science (CFFS) is a research consortium with participants from the University of Kentucky, University of Pittsburgh, West Virginia University, University of Utah, and Auburn University. The CFFS is conducting a research program to develop C1 chemistry technology for the production of clean transportation fuel from resources such as coal and natural gas, which are more plentiful domestically than petroleum. The processes under development will convert feedstocks containing one carbon atom per molecular unit into ultra clean liquid transportation fuels (gasoline, diesel, and jet fuel) and hydrogen, which many believe will be the transportation fuel of the future. Feedstocks include synthesis gas, a mixture of carbon monoxide and hydrogen produced by coal gasification, coalbed methane, light products produced by Fischer-Tropsch (FT) synthesis, methanol, and natural gas.

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

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2003-03-31

    Faculty and students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of transportation fuel from domestically plentiful resources such as coal, coalbed methane, and natural gas. An Industrial Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, Energy International, the Department of Defense, and Tier Associates provides guidance on the practicality of the research.

  20. Large-Scale Liquid Hydrogen Handling Equipment

    Broader source: Energy.gov [DOE]

    Presentation by Jerry Gillette of Argonne National Laboratory at the Joint Meeting on Hydrogen Delivery Modeling and Analysis, May 8-9, 2007

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

    SciTech Connect (OSTI)

    Beste, Ariana; Steven H. Overbury

    2015-12-23

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

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

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

    Beste, Ariana; Steven H. Overbury

    2015-12-23

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

  3. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-06-30

    The Liquid Phase Methanol (LPMEOHTM) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOIYM Process Demonstration Unit was built at a site located at the Eastman complex in Kingsport. During this quarter, comments from the DOE on the Topical Report "Economic Analysis - LPMEOHTM Process as an Add-on to IGCC for Coproduction" were received. A recommendation to continue with design verification testing for the coproduction of dimethyl ether (DIME) and methanol was made. DME design verification testing studies show the liquid phase DME (LPDME) process will have a significant economic advantage for the coproduction of DME for local markets. An LPDME catalyst system with reasonable long-term activity and stability is being developed. A recommendation document summarizing catalyst targets, experimental results, and the corresponding economics for a commercially successful LPDME catalyst was issued on 30 June 1997. The off-site, product-use test plan was updated in June of 1997. During this quarter, Acurex Environmental Corporation and Air Products screened proposals for this task by the likelihood of the projects to proceed and the timing for the initial methanol requirement. Eight sites from the list have met these criteria. The formal submission of the eight projects for review and concurrence by the DOE will be made during the next reporting period. The site paving and final painting were completed in May of 1997. Start-up activities were completed during the reporting period, and the initial methanol production from the demonstration unit occurred on 02 April 1997. The first extended stable operation at the nameplate capacity of 80,000 gallons per day (260 tons

  4. Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the effects of H2O

    SciTech Connect (OSTI)

    Zhao, Yafan; Yang, Yong; Mims, Charles A.; Peden, Charles HF; Li, Jun; Mei, Donghai

    2011-05-31

    Methanol synthesis from CO2 hydrogenation on supported Cu catalysts is of considerable importance in the chemical and energy industries. Although extensive experimental and theoretical efforts have been carried out in the past decades, the most fundamental questions such as the reaction mechanisms and the key reaction intermediates are still in debate. In the present work, a comprehensive reaction network for CO2 hydrogenation to methanol on Cu(111) was studied using periodic density functional theory (DFT) calculations. All of the elementary reaction steps in the reaction network were identified in an unbiased way with the dimer method. Our calculation results show that methanol synthesis from direct hydrogenation of formate on Cu(111) is not feasible due to the high activation barriers for some of the elementary steps. Instead, we find that CO2 hydrogenation to hydrocarboxyl (trans-COOH) is kinetically more favorable than formate in the presence of H2O via a unique proton transfer mechanism. The trans-COOH is then converted into hydroxymethylidyne (COH) via dihydroxycarbene (COHOH) intermediates, followed by three consecutive hydrogenation steps to form hydroxymethylene (HCOH), hydroxymethyl (H2COH), and methanol. This is consistent with recent experimental observations [1], which indicate that direct hydrogenation of formate will not produce methanol under dry hydrogen conditions. Thus, both experiment and computational modeling clearly demonstrate the important role of trace amounts of water in methanol synthesis from CO2 hydrogenation on Cu catalysts. The proposed methanol synthesis route on Cu(111) not only provides new insights into methanol synthesis chemistry, but also demonstrates again that spectroscopically observed surface species are often not critical reaction intermediates but rather spectator species. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  5. Theoretical study of syngas hydrogenation to methanol on the polar Zn-terminated ZnO(0001) surface

    SciTech Connect (OSTI)

    Zhao, Ya-Fan; Rousseau, Roger J.; Li, Jun; Mei, Donghai

    2012-08-02

    Methanol synthesis from syngas (CO/CO2/H2) hydrogenation on the perfect Zn–terminated polar ZnO(0001) surface have been investigated using periodic density functional theory calculations. Our results show that direct CO2 hydrogenation to methanol on the perfect ZnO(0001) surface is unlikely because in the presence of surface atomic H and O the highly stable formate (HCOO) and carbonate (CO3) readily produced from CO2 with low barriers 0.11 and 0.09 eV will eventually accumulate and block the active sites of the ZnO(0001) surface. In contrast, methanol synthesis from CO hydrogenation is thermodynamically and kinetically feasible on the perfect ZnO(0001) surface. CO can be consecutively hydrogenated into formyl (HCO), formaldehyde (H2CO), methoxy (H3CO) intermediates, leading to the final formation of methanol (H3COH). The reaction route via hydroxymethyl (H2COH) intermediate, a previously proposed species on the defected O–terminated ZnO( ) surface, is kinetically inhibited on the perfect ZnO(0001) surface. The rate-determining step in the consecutive CO hydrogenation route is the hydrogenation of H3CO to H3COH. We also note that this last hydrogenation step is pronouncedly facilitated in the presence of water by lowering the activation barrier from 1.02 to 0.55 eV. This work was supported by the U.S. Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences, and performed at EMSL, a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at Pacific Northwest National Laboratory (PNNL). Computational resources were provided at EMSL and the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory. J. Li and Y.-F. Zhao were also financially supported by the National Natural Science Foundation of China (Nos. 20933003 and 91026003) and the National Basic Research Program of China (No. 2011CB932400). Y

  6. Process for hydrogen isotope concentration between liquid water and hydrogen gas

    DOE Patents [OSTI]

    Stevens, William H.

    1976-09-21

    A process for hydrogen isotope exchange and concentration between liquid water and hydrogen gas, wherein liquid water and hydrogen gas are contacted, in an exchange section, with one another and with at least one catalyst body comprising at least one metal selected from Group VIII of the Periodic Table and preferably a support therefor, the catalyst body has a liquid-water-repellent, gas permeable polymer or organic resin coating, preferably a fluorinated olefin polymer or silicone coating, so that the isotope concentration takes place by two simultaneously occurring steps, namely, ##EQU1## WHILE THE HYDROGEN GAS FED TO THE EXCHANGE SECTION IS DERIVED IN A REACTOR VESSEL FROM LIQUID WATER THAT HAS PASSED THROUGH THE EXCHANGE SECTION.

  7. Liquid phase methanol LaPorte process development unit: Modification, operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1991-01-02

    Liquid-entrained operations at the LaPorte Liquid Phase Methanol (LPMEOH) Process Development Unit (PDU) continued during June and July 1988 under Tasks 2.1 and 2.2 of Contract No. DE-AC22-87PC90005 for the US Department of Energy. The primary focus of this PDU operating program was to prepare for a confident move to the next scale of operation with an optimized and simplified process. Several new design options had been identified and thoroughly evaluated in a detailed process engineering study completed under the LPMEOH Part-2 contract (DE-AC22-85PC80007), which then became the basis for the current PDU modification/operating program. The focus of the Process Engineering Design was to optimize and simplifications focused on the slurry loop, which consists of the reactor, vapor/liquid separator, slurry heat exchanger, and slurry circulation pump. Two-Phase Gas Holdup tests began at LaPorte in June 1988 with nitrogen/oil and CO- rich gas/oil systems. The purpose of these tests was to study the hydrodynamics of the reactor, detect metal carbonyl catalyst poisons, and train operating personnel. Any effect of the new gas sparger and the internal heat exchanger would be revealed by comparing the hydrodynamic data with previous PDU hydrodynamic data. The Equipment Evaluation'' Run E-5 was conducted at the LaPorte LPMEOH PDU in July 1988. The objective of Run E-5 was to systematically evaluate each new piece of equipment (sparger, internal heat exchanger, V/L disengagement zone, demister, and cyclone) which had been added to the system, and attempt to run the reactor in an internal-only mode. In addition, a successful catalyst activation with a concentrated (45 wt % oxide) slurry was sought. 9 refs., 26 figs., 15 tabs.

  8. Low pressure COâ‚‚ hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiOâ‚‚ interface

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

    Yang, Xiaofang; Boscoboinik, J. Anibal; Kattel, Shyam; Senanayake, Sanjaya D.; Nie, Xiaowa; Graciani, Jesus; Rodriguez, Jose A.; Liu, Ping; Stacchiola, Dario J.; Chen, Jingguang G.

    2015-07-28

    Capture and recycling of CO₂ into valuable chemicals such as alcohols could help mitigate its emissions into the atmosphere. Due to its inert nature, the activation of CO₂ is a critical step in improving the overall reaction kinetics during its chemical conversion. Although pure gold is an inert noble metal and cannot catalyze hydrogenation reactions, it can be activated when deposited as nanoparticles on the appropriate oxide support. In this combined experimental and theoretical study, it is shown that an electronic polarization at the metal–oxide interface of Au nanoparticles anchored and stabilized on a CeOx/TiO₂ substrate generates active centers formore » CO₂ adsorption and its low pressure hydrogenation, leading to a higher selectivity toward methanol. In conclusion, this study illustrates the importance of localized electronic properties and structure in catalysis for achieving higher alcohol selectivity from CO₂ hydrogenation.« less

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

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2004-03-31

    Faculty and students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of liquid transportation fuel and hydrogen from domestically plentiful resources such as coal, coalbed methane, and natural gas. An Industrial Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, the Air Force Research Laboratory, the U.S. Army National Automotive Center (Tank & Automotive Command--TACOM), and Tier Associates provides guidance on the practicality of the research. The current report presents results obtained in this research program during the six months of the subject contract from October 1, 2002 through March 31, 2003. The results are presented in thirteen detailed reports on research projects headed by various faculty members at each of the five CFFS Universities. Additionally, an Executive Summary has been prepared that summarizes the principal results of all of these projects during the six-month reporting period.

  10. C1 Chemistry for the Production of Ultra-Clean Liquid Transportation Fuels and Hydrogen

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2005-03-31

    Faculty and students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of liquid transportation fuel and hydrogen from domestically plentiful resources such as coal, coalbed methane, and natural gas. An Industrial Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, the Air Force Research Laboratory, the U.S. Army National Automotive Center (Tank & Automotive Command--TACOM), and Tier Associates provides guidance on the practicality of the research. The current report presents results obtained in this research program during the six months of the subject contract from October 1, 2002 through March 31, 2003. The results are presented in thirteen detailed reports on research projects headed by various faculty members at each of the five CFFS Universities. Additionally, an Executive Summary has been prepared that summarizes the principal results of all of these projects during the six-month reporting period.

  11. Hydrogen Production via Reforming of Bio-Derived Liquids | Department of

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

    Energy Production via Reforming of Bio-Derived Liquids Hydrogen Production via Reforming of Bio-Derived Liquids Presentation by Yong Wang and David King at the October 24, 2006 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Kick-Off Meeting. biliwg06_wang_pnnl.pdf (841.57 KB) More Documents & Publications Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG), Hydrogen Separation and Purification Working Group (PURIWG) & Hydrogen Production

  12. Liquid phase fluid dynamic (methanol) run in the LaPorte alternative fuels development unit

    SciTech Connect (OSTI)

    Bharat L. Bhatt

    1997-05-01

    A fluid dynamic study was successfully completed in a bubble column at DOE's Alternative Fuels Development Unit (AFDU) in LaPorte, Texas. Significant fluid dynamic information was gathered at pilot scale during three weeks of Liquid Phase Methanol (LPMEOJP) operations in June 1995. In addition to the usual nuclear density and temperature measurements, unique differential pressure data were collected using Sandia's high-speed data acquisition system to gain insight on flow regime characteristics and bubble size distribution. Statistical analysis of the fluctuations in the pressure data suggests that the column was being operated in the churn turbulent regime at most of the velocities considered. Dynamic gas disengagement experiments showed a different behavior than seen in low-pressure, cold-flow work. Operation with a superficial gas velocity of 1.2 ft/sec was achieved during this run, with stable fluid dynamics and catalyst performance. Improvements included for catalyst activation in the design of the Clean Coal III LPMEOH{trademark} plant at Kingsport, Tennessee, were also confirmed. In addition, an alternate catalyst was demonstrated for LPMEOH{trademark}.

  13. Liquid phase methanol LaPorte process development unit: Modification, operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1990-10-23

    The objectives of this program are to implement and test the process improvements identified through the engineering studies of the current program to demonstrate the capability of long-term catalyst activity maintenance, and to perform process and design engineering work that can be applied to a scaled-up Liquid Phase Methanol (LPMEOH) facility. An optional series of PDU runs is offered to extend the testing of the process improvements. A parallel research program will be performed to enhance the LPMEOH technical data base to improve the likelihood of commercialization of the LPMEOH process. Activities this quarter include: Flow sheet development for La Porte PDU modifications continues. A preliminary P ID review was completed and flow sheet modifications were identified and are being incorporated. A preliminary hazards review was completed on 22 May. Some minor flow sheet modifications resulted and a number of action items were identified. The most significant action item is to develop a materials reactivity and compatibility grid for the different alcohols, ethers, and esters which will be produced at the PDU. Heat and material balances were completed for the maximum production case of the mixed DME/MEOH synthesis campaign. An improved rate expression was developed. 1 fig.

  14. Liquid phase methanol LaPorte process development unit: Modification operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1991-01-28

    In April 1987, Air Products started the third and final contract with the US Department of Energy to develop the Liquid Phase Methanol (LPMEOH) process. One of the objectives was to identify alternative commercial catalyst(s) for the process. This objective was strategically important as we want to demonstrate that the LPMEOH process is flexible and not catalyst selection limited. Among three commercially available catalysts evaluated in the lab, the catalyst with a designation of F21/0E75-43 was the most promising candidate. The initial judging criteria included not only the intrinsic catalyst activity but also the ability to be used effectively in a slurry reactor. The catalyst was then advanced for a 40-day life test in a laboratory 300 cc autoclave. The life test result also revealed superior stability when compared with that of a standard catalyst. Consequently, the new catalyst was recommended for demonstration in the Process Development Unit (PDU) at LaPorte, Texas. This report details the methodology of testing and selecting the catalyst.

  15. Electron-stimulated reactions in layered CO/H{sub 2}O films: Hydrogen atom diffusion and the sequential hydrogenation of CO to methanol

    SciTech Connect (OSTI)

    Petrik, Nikolay G.; Kimmel, Greg A.; Monckton, Rhiannon J.; Koehler, Sven P. K.

    2014-05-28

    Low-energy (100 eV) electron-stimulated reactions in layered H{sub 2}O/CO/H{sub 2}O ices are investigated. For CO layers buried in amorphous solid water (ASW) films at depths of 50 monolayers (ML) or less from the vacuum interface, both oxidation and reduction reactions are observed. However, for CO buried more deeply in ASW films, only the reduction of CO to methanol is observed. Experiments with layered films of H{sub 2}O and D{sub 2}O show that the hydrogen atoms participating in the reduction of the buried CO originate in the region that is 10–50 ML below the surface of the ASW films and subsequently diffuse through the film. For deeply buried CO layers, the CO reduction reactions quickly increase with temperature above ?60 K. We present a simple chemical kinetic model that treats the diffusion of hydrogen atoms in the ASW and sequential hydrogenation of the CO to methanol to account for the observations.

  16. Commercial-scale demonstration of the Liquid Phase Methanol process. Technical progress report number 8, April 1--June 30, 1996

    SciTech Connect (OSTI)

    1996-12-31

    The project involves the construction of an 80,000 gallon per day (260 tons per day (TPD)) methanol unit utilizing coal-derived synthesis gas from Eastman`s integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} process is ideally suited for directly processing gases produced by modern-day coal gasifiers. Originally tested at a small (10 TPD), DOE-owned experimental unit in LaPorte, Texas, the technology provides several improvements essential for the economic coproduction of methanol and electricity directly from gasified coal. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface, protecting the catalyst and allowing the methanol synthesis reaction to proceed at higher rates. At the Eastman complex, the technology is being integrated with existing coal-gasifiers. A carefully developed test plan will allow operations at Eastman to simulate electricity demand load-following in coal-based IGCC facilities. The operations will also demonstrate the enhanced stability and heat dissipation of the conversion process, its reliable on/off operation, and its ability to produce methanol as a clean liquid fuel without additional upgrading.

  17. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{sup trademark}) process. Third quarterly report, 1996

    SciTech Connect (OSTI)

    1997-09-01

    The Liquid Phase Methanol (LPMEOH)(TM) demonstration project at King sport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L. P. (the Partnership). A demonstration unit producing 80,000 gallons per day (260 TPD) of methanol is being designed and constructed at a site located at the Eastman Chemical Company (Eastman) complex in Kingsport. The Partnership will own and operate the facility for the four year demonstration period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to `demonstrate the production of methanol using the LPMEOH(TM) Process in conjunction with an integrated coal gasification facility.` The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four year demonstration period. The LPMEOH(TM) process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfully piloted at a 10-TPD rate in the DOE-owned experimental unit at Air Products` LaPorte, Texas, site. This demonstration project is the culmination of that extensive cooperative development effort.

  18. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH) Process

    SciTech Connect (OSTI)

    1998-12-21

    he Liquid Phase Methanol (LPMEOW) Demonstration Project at Kingsport Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership) to produce methanol from coal-derived synthesis gas (syngas). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOEP Process Demonstration Unit was built at a site located at the Eastman coal-to-chemicals complex in Kingsport. The LPMEOHW Demonstration Facility completed its first year of operation on 02 April 1998. The LPMEOW Demonstration Facility also completed the longest continuous operating run (65 days) on 21 April 1998. Catalyst activity, as defined by the ratio of the rate constant at any point in time to the rate constant for freshly reduced catalyst (as determined in the laboratory autoclave), was monitored throughout the reporting period. During a six-week test at a reactor temperature of 225oC and Balanced Gas flowrate of 700 KSCFH, the rate of decline in catalyst activity was steady at 0.29-0.36% per day. During a second one-month test at a reactor temperature of 220oC and a Balanced Gas flowrate of 550-600 KSCFH, the rate of decline in catalyst activity was 0.4% per day, which matched the pefiorrnance at 225"C, as well as the 4-month proof-of-concept run at the LaPorte AFDU in 1988/89. Beginning on 08 May 1998, the LPMEOW Reactor temperature was increased to 235oC, which was the operating temperature tier the December 1997 restart with the fresh charge of catalyst (50'Yo of design loading). The flowrate of the primary syngas feed stream (Balanced Gas) was also increased to 700-750 KSCFH. During two stable operating periods between 08 May and 09 June 1998, the average catalyst deactivation rate was 0.8% per day. Due to the scatter of the statistical analysis of the results, this test was extended to better quanti

  19. Electrokinetic Hydrogen Generation from Liquid WaterMicrojets

    SciTech Connect (OSTI)

    Duffin, Andrew M.; Saykally, Richard J.

    2007-05-31

    We describe a method for generating molecular hydrogen directly from the charge separation effected via rapid flow of liquid water through a metal orifice, wherein the input energy is the hydrostatic pressure times the volume flow rate. Both electrokinetic currents and hydrogen production rates are shown to follow simple equations derived from the overlap of the fluid velocity gradient and the anisotropic charge distribution resulting from selective adsorption of hydroxide ions to the nozzle surface. Pressure-driven fluid flow shears away the charge balancing hydronium ions from the diffuse double layer and carries them out of the aperture. Downstream neutralization of the excess protons at a grounded target electrode produces gaseous hydrogen molecules. The hydrogen production efficiency is currently very low (ca. 10-6) for a single cylindrical jet, but can be improved with design changes.

  20. Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Meeting

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

    - November 2007 | Department of Energy Meeting - November 2007 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Meeting - November 2007 The Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group participated in a Hydrogen Production Technical Team Research Review on November 6, 2007. The meeting provided the opportunity for researchers to share their experiences in converting bio-derived liquids to hydrogen with members of the Department of Energy Hydrogen

  1. Rapid starting methanol reactor system

    DOE Patents [OSTI]

    Chludzinski, Paul J.; Dantowitz, Philip; McElroy, James F.

    1984-01-01

    The invention relates to a methanol-to-hydrogen cracking reactor for use with a fuel cell vehicular power plant. The system is particularly designed for rapid start-up of the catalytic methanol cracking reactor after an extended shut-down period, i.e., after the vehicular fuel cell power plant has been inoperative overnight. Rapid system start-up is accomplished by a combination of direct and indirect heating of the cracking catalyst. Initially, liquid methanol is burned with a stoichiometric or slightly lean air mixture in the combustion chamber of the reactor assembly. The hot combustion gas travels down a flue gas chamber in heat exchange relationship with the catalytic cracking chamber transferring heat across the catalyst chamber wall to heat the catalyst indirectly. The combustion gas is then diverted back through the catalyst bed to heat the catalyst pellets directly. When the cracking reactor temperature reaches operating temperature, methanol combustion is stopped and a hot gas valve is switched to route the flue gas overboard, with methanol being fed directly to the catalytic cracking reactor. Thereafter, the burner operates on excess hydrogen from the fuel cells.

  2. System for exchange of hydrogen between liquid and solid phases

    DOE Patents [OSTI]

    Reilly, J.J.; Grohse, E.W.; Johnson, J.R.; Winsche, W.E.

    1985-02-22

    The reversible reaction M + x/2 H/sub 2/ reversible MH/sub x/, wherein M is a reversible metal hydride former that forms a hydride MH/sub x/ in the presence of H/sub 2/, generally used to store and recall H/sub 2/, is found to proceed under an inert liquid, thereby reducing contamination, providing better temperature control, providing in situ mobility of the reactants, and increasing flexibility in process design. Thus, a slurry of particles of a metal hydride former with an inert solvent is subjected to a temperature and pressure controlled atmosphere containing H/sub 2/, to store hydrogen and to release previously stored hydrogen. The direction of the flow of the H/sub 2/ through the liquid is dependent upon the H/sub 2/ pressure in the gas phase at a given temperature. When the actual H/sub 2/ pressure is above the equilibrium absorption pressure of the respective hydride the reaction proceeds to the right, i.e., the metal hydride is formed and hydrogen is stored in the solid particle. When the actual pressure in the gas phase is below the equilibrium dissociation pressure of the respective hydride the reaction proceeds to the left, the metal hydride is decomposed and hydrogen is released into the gas phase.

  3. System for exchange of hydrogen between liquid and solid phases

    DOE Patents [OSTI]

    Reilly, James J.; Grohse, Edward W.; Johnson, John R.; Winsche, deceased, Warren E.

    1988-01-01

    The reversible reaction M+x/2 H.sub.2 .rarw..fwdarw.MH.sub.x, wherein M is a reversible metal hydride former that forms a hydride MH.sub.x in the presence of H.sub.2, generally used to store and recall H.sub.2, is found to proceed under an inert liquid, thereby reducing contamination, providing better temperature control, providing in situ mobility of the reactants, and increasing flexibility in process design. Thus, a slurry of particles of a metal hydride former with an inert solvent is subjected to a temperature and pressure controlled atmosphere containing H.sub.2, to store hydrogen and to release previously stored hydrogen. The direction of the flow of the H.sub.2 through the liquid is dependent upon the H.sub.2 pressure in the gas phase at a given temperature. When the actual H.sub.2 pressure is above the equilibrium absorption pressure of the respective hydride the reaction proceeds to the right, i.e., the metal hydride is formed and hydrogen is stored in the solid particles. When the actual pressure in the gas phase is below the equilibrium dissociation pressure of the respective hydride the reaction proceeds to the left, the metal hydride is decomposed and hydrogen is released into the gas phase.

  4. An Analysis of Methanol and Hydrogen Production via High-Temperature Electrolysis Using the Sodium Cooled Advanced Fast Reactor

    SciTech Connect (OSTI)

    Shannon M. Bragg-Sitton; Richard D. Boardman; Robert S. Cherry; Wesley R. Deason; Michael G. McKellar

    2014-03-01

    Integration of an advanced, sodium-cooled fast spectrum reactor into nuclear hybrid energy system (NHES) architectures is the focus of the present study. A techno-economic evaluation of several conceptual system designs was performed for the integration of a sodium-cooled Advanced Fast Reactor (AFR) with the electric grid in conjunction with wind-generated electricity. Cases in which excess thermal and electrical energy would be reapportioned within an integrated energy system to a chemical plant are presented. The process applications evaluated include hydrogen production via high temperature steam electrolysis and methanol production via steam methane reforming to produce carbon monoxide and hydrogen which feed a methanol synthesis reactor. Three power cycles were considered for integration with the AFR, including subcritical and supercritical Rankine cycles and a modified supercritical carbon dioxide modified Brayton cycle. The thermal efficiencies of all of the modeled power conversions units were greater than 40%. A thermal efficiency of 42% was adopted in economic studies because two of the cycles either performed at that level or could potentially do so (subcritical Rankine and S-CO2 Brayton). Each of the evaluated hybrid architectures would be technically feasible but would demonstrate a different internal rate of return (IRR) as a function of multiple parameters; all evaluated configurations showed a positive IRR. As expected, integration of an AFR with a chemical plant increases the IRR when “must-take” wind-generated electricity is added to the energy system. Additional dynamic system analyses are recommended to draw detailed conclusions on the feasibility and economic benefits associated with AFR-hybrid energy system operation.

  5. Liquid phase low temperature method for production of methanol from synthesis gas and catalyst formulations therefor

    DOE Patents [OSTI]

    Mahajan, Devinder

    2005-07-26

    The invention provides a homogenous catalyst for the production of methanol from purified synthesis gas at low temperature and low pressure which includes a transition metal capable of forming transition metal complexes with coordinating ligands and an alkoxide, the catalyst dissolved in a methanol solvent system, provided the transition metal complex is not transition metal carbonyl. The coordinating ligands can be selected from the group consisting of N-donor ligands, P-donor ligands, O-donor ligands, C-donor ligands, halogens and mixtures thereof.

  6. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) Process. Peroxide formation of dimethyl ether in methanol mixtures

    SciTech Connect (OSTI)

    Waller, F.J.

    1997-11-01

    Organic peroxides could form when dimethyl ether in methanol is stored for three to six months at a time. The objective of this work was to determine the level of peroxide formation from dimethyl ether in reagent grade methanol and raw methanol at room temperature under 3 atmospheres (45 psig) of air. Raw methanol is methanol made from syngas by the LPMEOH Process without distillation. Aliphatic ethers tend to react slowly with oxygen from the air to form unstable peroxides. However, there are no reports on peroxide formation from dimethyl ether. After 172 days of testing, dimethyl ether in either reagent methanol or raw methanol at room temperature and under 60--70 psig pressure of air does not form detectable peroxides. Lack of detectable peroxides suggests that dimethyl ether or dimethyl ether and methanol may be stored at ambient conditions. Since the compositions of {approximately} 1.3 mol% or {approximately} 4.5 mol% dimethyl ether in methanol do not form peroxides, these compositions can be considered for diesel fuel or an atmospheric turbine fuel, respectively.

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

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2003-09-30

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

  8. Laser-induced separation of hydrogen isotopes in the liquid phase

    DOE Patents [OSTI]

    Freund, Samuel M.; Maier, II, William B.; Beattie, Willard H.; Holland, Redus F.

    1980-01-01

    Hydrogen isotope separation is achieved by either (a) dissolving a hydrogen-bearing feedstock compound in a liquid solvent, or (b) liquefying a hydrogen-bearing feedstock compound, the liquid phase thus resulting being kept at a temperature at which spectral features of the feedstock relating to a particular hydrogen isotope are resolved, i.e., a clear-cut isotope shift is delineated, irradiating the liquid phase with monochromatic radiation of a wavelength which at least preferentially excites those molecules of the feedstock containing a first hydrogen isotope, inducing photochemical reaction in the excited molecules, and separating the reaction product containing the first isotope from the liquid phase.

  9. C1 Chemistry for the Production of Ultra-Clean Liquid Transportation Fuels and Hydrogen

    SciTech Connect (OSTI)

    Gerald P. Huffman

    2003-03-31

    Faculty and students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of transportation fuel from domestically plentiful resources such as coal, coalbed methane, and natural gas. An Industrial Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, Energy International, the Department of Defense, and Tier Associates provides guidance on the practicality of the research. The current report presents results obtained in this research program during the first six months of the subject contract (DE-FC26-02NT-4159), from October 1, 2002 through March 31, 2003.

  10. Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications

    Fuel Cell Technologies Publication and Product Library (EERE)

    In 2007-2009, the DOE Hydrogen Program conducted a technical assessment of organic liquid carrier based hydrogen storage systems for automotive applications, consistent with the Program’s Multiyear Re

  11. DOE Technical Targets for Hydrogen Production from Biomass-Derived Liquid

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

    Reforming | Department of Energy Biomass-Derived Liquid Reforming DOE Technical Targets for Hydrogen Production from Biomass-Derived Liquid Reforming These tables list the U.S. Department of Energy (DOE) technical targets and example cost contributions for hydrogen production from biomass-derived liquid reforming. More information about targets can be found in the Hydrogen Production section of the Fuel Cell Technologies Office's Multi-Year Research, Development, and Demonstration Plan.

  12. Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Kick-Off Meeting

    Broader source: Energy.gov [DOE]

    The U.S. Department of Energy held a kick-off meeting for the Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG) on October 24, 2006, in Baltimore, Maryland. The Working Group is addressing technical challenges to distributed reforming of biomass-derived, renewable liquid fuels to hydrogen, including the reforming, water-gas shift, and hydrogen recovery and purification steps. The meeting provided the opportunity for researchers to share their experiences in converting bio-derived liquids to hydrogen with each other and with members of the DOE Hydrogen Production Technical Team.

  13. Fuel processor for fuel cell power system. [Conversion of methanol into hydrogen

    DOE Patents [OSTI]

    Vanderborgh, N.E.; Springer, T.E.; Huff, J.R.

    1986-01-28

    A catalytic organic fuel processing apparatus, which can be used in a fuel cell power system, contains within a housing a catalyst chamber, a variable speed fan, and a combustion chamber. Vaporized organic fuel is circulated by the fan past the combustion chamber with which it is in indirect heat exchange relationship. The heated vaporized organic fuel enters a catalyst bed where it is converted into a desired product such as hydrogen needed to power the fuel cell. During periods of high demand, air is injected upstream of the combustion chamber and organic fuel injection means to burn with some of the organic fuel on the outside of the combustion chamber, and thus be in direct heat exchange relation with the organic fuel going into the catalyst bed.

  14. List of Methanol Incentives | Open Energy Information

    Open Energy Info (EERE)

    Commercial Industrial Anaerobic Digestion Biodiesel Biomass CHPCogeneration Ethanol Hydrogen Landfill Gas Methanol Microturbines Municipal Solid Waste Yes Business Energy Tax...

  15. Methanol Synthesis from CO2 Hydrogenation over a Pd4/In2O3 Model Catalyst: A Combined DFT and Kinetic Study

    SciTech Connect (OSTI)

    Ye, Jingyun; Liu, Changjun; Mei, Donghai; Ge, Qingfeng

    2014-08-01

    Methanol synthesis from CO2 hydrogenation on Pd4/In2O3 has been investigated using density functional theory (DFT) and microkinetic modeling. In this study, three possible routes in the reaction network of CO2 + H2 ? CH3OH + H2O have been examined. Our DFT results show that the HCOO route competes with the RWGS route whereas a high activation barrier kinetically blocks the HCOOH route. DFT results also suggest that H2COO* + H* ? H2CO* +OH* and cis-COOH* + H* ?CO* + H2O* are the rate limiting steps in the HCOO route and the RWGS route, respectively. Microkinetic modeling results demonstrate that the HCOO route is the dominant reaction route for methanol synthesis from CO2 hydrogenation. We found that the activation of H adatom on the small Pd cluster and the presence of H2O on the In2O3 substrate play important roles in promoting the methanol synthesis. The hydroxyl adsorbed at the interface of Pd4/In2O3 induces the transformation of the supported Pd4 cluster from a butterfly structure into a tetrahedron structure. This important structure change not only indicates the dynamical nature of the supported nanoparticle catalyst structure during the reaction but also shifts the final hydrogenation step from H2COH to CH3O.

  16. The effect of hydrogen bonding on torsional dynamics: A combined far-infrared jet and matrix isolation study of methanol dimer

    SciTech Connect (OSTI)

    Kollipost, F.; Heger, M.; Suhm, M. A.; Andersen, J.; Mahler, D. W.; Wugt Larsen, R.; Heimdal, J.

    2014-11-07

    The effect of strong intermolecular hydrogen bonding on torsional degrees of freedom is investigated by far-infrared absorption spectroscopy for different methanol dimer isotopologues isolated in supersonic jet expansions or embedded in inert neon matrices at low temperatures. For the vacuum-isolated and Ne-embedded methanol dimer, the hydrogen bond OH librational mode of the donor subunit is finally observed at ?560 cm{sup ?1}, blue-shifted by more than 300 cm{sup ?1} relative to the OH torsional fundamental of the free methanol monomer. The OH torsional mode of the acceptor embedded in neon is observed at ?286 cm{sup ?1}. The experimental findings are held against harmonic predictions from local coupled-cluster methods with single and double excitations and a perturbative treatment of triple excitations [LCCSD(T)] and anharmonic. VPT2 corrections at canonical MP2 and density functional theory (DFT) levels in order to quantify the contribution of vibrational anharmonicity for this important class of intermolecular hydrogen bond vibrational motion.

  17. Interaction of alkanes with an amorphous methanol film at 15-180 K

    SciTech Connect (OSTI)

    Souda, Ryutaro

    2005-09-15

    The hydrogen-bond imperfections and glass-liquid transition of the amorphous methanol film have been investigated on the basis of the film dewetting and the incorporation/desorption of alkane molecules adsorbed on the surface. The butane is incorporated completely in the bulk of the porous methanol film up to 70 K. At least two distinct states exist for the incorporated butane; one is assignable to solvated molecules in the bulk and the other is weakly bound species at the surface or in the subsurface site. For the nonporous methanol film, the uptake of butane in the bulk is quenched but butane forms a surface complex with methanol above 80 K. The butane incorporated in the bulk of the glassy methanol film is released at 120 K, where dewetting of the methanol film occurs simultaneously due to evolution of the supercooled liquid phase.

  18. Commercial-scale demonstration of the liquid phase methanol (LPMEOH{trademark}) process. Technical progress report No. 3, October 1, 1994--March 31, 1995

    SciTech Connect (OSTI)

    1995-12-31

    The Liquid Phase Methanol (LPMEOH{trademark}) demonstration project at Kingsport, Tennessee is a $213.7 million cooperative agreement between the US Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). A facility producing 260 TPD of methanol will be designed and constructed at a site located at the Eastman Chemical complex in Kingsport, Tennessee. The Partnership will own and operate the facility for the four-year demonstration facility operational period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to ``demonstrate the production of methanol using the LPMEOH{trademark} process in conjunction with an integrated coal gasification facility.`` The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low sulfur dioxide, low nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research shows promising results. If implemented, the DME would be produced during the last six months of the operations phase. During the period 1 October 1994 to 31 March 1995, the project team completed essentially all the activities necessary to start detailed design. Major accomplishments in these activities are discussed.

  19. Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications

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

    Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications R. K. Ahluwalia, T. Q. Hua, and J-K Peng Argonne National Laboratory, Argonne, IL 60439 M. Kromer, S. Lasher, K. McKenney, K. Law, and J. Sinha TIAX LLC, Lexington, MA 02421 June 21, 2011 Executive Summary In 2007-2009, the DOE Hydrogen Program conducted a technical assessment of organic liquid carrier based hydrogen storage systems for automotive applications, consistent with the Program's

  20. Low pressure COâ‚‚ hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiOâ‚‚ interface

    SciTech Connect (OSTI)

    Yang, Xiaofang; Boscoboinik, J. Anibal; Kattel, Shyam; Senanayake, Sanjaya D.; Nie, Xiaowa; Graciani, Jesus; Rodriguez, Jose A.; Liu, Ping; Stacchiola, Dario J.; Chen, Jingguang G.

    2015-07-28

    Capture and recycling of CO₂ into valuable chemicals such as alcohols could help mitigate its emissions into the atmosphere. Due to its inert nature, the activation of CO₂ is a critical step in improving the overall reaction kinetics during its chemical conversion. Although pure gold is an inert noble metal and cannot catalyze hydrogenation reactions, it can be activated when deposited as nanoparticles on the appropriate oxide support. In this combined experimental and theoretical study, it is shown that an electronic polarization at the metal–oxide interface of Au nanoparticles anchored and stabilized on a CeOx/TiO₂ substrate generates active centers for CO₂ adsorption and its low pressure hydrogenation, leading to a higher selectivity toward methanol. In conclusion, this study illustrates the importance of localized electronic properties and structure in catalysis for achieving higher alcohol selectivity from CO₂ hydrogenation.

  1. Low pressure CO? hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiO? interface

    SciTech Connect (OSTI)

    Yang, Xiaofang; Boscoboinik, J. Anibal; Kattel, Shyam; Senanayake, Sanjaya D.; Nie, Xiaowa; Graciani, Jesus; Rodriguez, Jose A.; Liu, Ping; Stacchiola, Dario J.; Chen, Jingguang G.

    2015-07-28

    Capture and recycling of CO? into valuable chemicals such as alcohols could help mitigate its emissions into the atmosphere. Due to its inert nature, the activation of CO? is a critical step in improving the overall reaction kinetics during its chemical conversion. Although pure gold is an inert noble metal and cannot catalyze hydrogenation reactions, it can be activated when deposited as nanoparticles on the appropriate oxide support. In this combined experimental and theoretical study, it is shown that an electronic polarization at the metal–oxide interface of Au nanoparticles anchored and stabilized on a CeOx/TiO? substrate generates active centers for CO? adsorption and its low pressure hydrogenation, leading to a higher selectivity toward methanol. In conclusion, this study illustrates the importance of localized electronic properties and structure in catalysis for achieving higher alcohol selectivity from CO? hydrogenation.

  2. Active Oxygen Vacancy Site for Methanol Synthesis from CO2 Hydrogenation on In2O3(110): A DFT Study

    SciTech Connect (OSTI)

    Ye, Jingyun; Liu, Changjun; Mei, Donghai; Ge, Qingfeng

    2013-06-03

    Methanol synthesis from CO2 hydrogenation on the defective In2O3(110) surface with surface oxygen vacancies has been investigated using periodic density functional theory calculations. The relative stabilities of six possible surface oxygen vacancies numbered from Ov1 to Ov6 on the perfect In2O3(110) surface were examined. The calculated oxygen vacancy formation energies show that the D1 surface with the Ov1 defective site is the most thermodynamically favorable while the D4 surface with the Ov4 defective site is the least stable. Two different methanol synthesis routes from CO2 hydrogenation over both D1 and D4 surfaces were studied and the D4 surface was found to be more favorable for CO2 activation and hydrogenation. On the D4 surface, one of the O atoms of the CO2 molecule fills in the Ov4 site upon adsorption. Hydrogenation of CO2 to HCOO on the D4 surface is both thermodynamically and kinetically favorable. Further hydrogenation of HCOO involves both forming the C-H bond and breaking the C-O bond, resulting in H2CO and hydroxyl. The HCOO hydrogenation is slightly endothermic with an activation barrier of 0.57 eV. A high barrier of 1.14 eV for the hydrogenation of H2CO to H3CO indicates that this step is the rate-limiting step in the methanol synthesis on the defective In2O3(110) surface. We gratefully acknowledge the supports from the National Natural Science Foundation of China (#20990223) and from US Department of Energy, Basic Energy Science program (DE-FG02-05ER46231). D. Mei was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. The computations were performed in part using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at Pacific Northwest National Laboratory in Richland, Washington. PNNL is a multiprogram national laboratory

  3. Improved Flow-Field Structures for Direct Methanol Fuel Cells

    SciTech Connect (OSTI)

    Gurau, Bogdan

    2013-05-31

    The direct methanol fuel cell (DMFC) is ideal if high energy-density liquid fuels are required. Liquid fuels have advantages over compressed hydrogen including higher energy density and ease of handling. Although state-of-the-art DMFCs exhibit manageable degradation rates, excessive fuel crossover diminishes system energy and power density. Although use of dilute methanol mitigates crossover, the concomitant lowering of the gross fuel energy density (GFED) demands a complex balance-of-plant (BOP) that includes higher flow rates, external exhaust recirculation, etc. An alternative approach is redesign of the fuel delivery system to accommodate concentrated methanol. NuVant Systems Inc. (NuVant) will maximize the GFED by design and assembly of a DMFC that uses near neat methanol. The approach is to tune the diffusion of highly concentrated methanol (to the anode catalytic layer) to the back-diffusion of water formed at the cathode (i.e. in situ generation of dilute methanol at the anode layer). Crossover will be minimized without compromising the GFED by innovative integration of the anode flow-field and the diffusion layer. The integrated flow-field-diffusion-layers (IFDLs) will widen the current and potential DMFC operating ranges and enable the use of cathodes optimized for hydrogen-air fuel cells.

  4. Polymer formulation for removing hydrogen and liquid water from an enclosed space

    DOE Patents [OSTI]

    Shepodd, Timothy J.

    2006-02-21

    This invention describes a solution to the particular problem of liquid water formation in hydrogen getters exposed to quantities of oxygen. Water formation is usually desired because the recombination reaction removes hydrogen without affecting gettering capacity and the oxygen removal reduces the chances for a hydrogen explosion once free oxygen is essentially removed. The present invention describes a getter incorporating a polyacrylate compound that can absorb up to 500% of its own weight in liquid water without significantly affecting its hydrogen gettering/recombination properties, but that also is insensitive to water vapor.

  5. Liquid Hydrogen Production and Delivery from a Dedicated Wind...

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

    renewable energy to be transported via hydrogen to a demand center for transportation use. ... 80,000 fuel cell vehiclesday. The hydrogen would be delivered from a region in New ...

  6. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Technical progress report number 6, October 1--December 31, 1995

    SciTech Connect (OSTI)

    1996-12-31

    The project involves the construction of an 80,000 gallons per day (260 TPD) methanol unit utilizing coal-derived synthesis gas from Eastman`s integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} process is ideally suited for directly processing gases produced by modern-day coal gasifiers. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface protecting the catalyst and allowing the methanol synthesis reaction to proceed at higher rates. At the Eastman complex, the technology will be integrated with existing coal-gasifiers. A carefully developed test plan will allow operations at Eastman to simulate electricity demand load-following in coal-based IGCC facilities. The operations will also demonstrate the enhanced stability and heat dissipation of the conversion process, its reliable on/off operation, and its ability to produce methanol as a clean liquid fuel without additional upgrading. An off-site product testing program will be conducted to demonstrate the suitability of the methanol product as a transportation fuel and as a fuel for stationary applications for small modular electric power generators for distributed power.

  7. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Technical progress report number 5, July 1--September 30, 1995

    SciTech Connect (OSTI)

    1995-12-31

    The project involves the construction of an 80,000 gallons per day (260 TPD) methanol unit utilizing coal-derived synthesis gas from Eastman`s integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} process is ideally suited for directly processing gases produced by modern-day coal gasifiers. Originally tested at a small, DOE-owned experimental unit in LaPorte, Texas, the technology provides several improvements essential for the economic coproduction of methanol and electricity directly from gasified coal. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface, protecting the catalyst and allowing the methanol synthesis reaction to proceed at higher rates.

  8. Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Background Paper

    Broader source: Energy.gov [DOE]

    Paper by Arlene Anderson and Tracy Carole presented at the Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group, with a focus on key drivers, purpose, and scope.

  9. Commercial-scale demonstration of the liquid phase methanol (LPMEOH{trademark}) process. Technical progress report No. 4, 1 April--30 June 1995

    SciTech Connect (OSTI)

    1995-12-31

    The Liquid Phase Methanol (LPMEOH{trademark}) demonstration project at Kingsport, Tennessee is a $213.7 million cooperative agreement between the US Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L. P.(the Partnership). A facility producing 260 TPD of methanol will be designed and constructed at a site located at the Eastman Chemical complex in Kingsport, Tennessee. The Partnership will own and operate the facility for the four-year demonstration facility operational period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to ``demonstrate the production of methanol using the LPMEOH{trademark} process in conjunction with an integrated coal gasification facility.`` The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low sulfur dioxide, low nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research shows promising results. If implemented, the DME would be produced during the last six months of the operations phase. During this last quarter the project transitioned to the design phase. the project requires review under the National environmental Policy Act to move to the construction phase, which is scheduled to begin in August of 1995. DOE has prepared an Environmental Assessment, and a Finding of No Significant Impact was issued during this quarter. The facility is scheduled to be mechanically complete in November of 1996.

  10. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Environmental monitoring report No. 1, 1 April 1997--31 June 1997

    SciTech Connect (OSTI)

    1998-02-13

    The Liquid Phase Methanol (LPMEOH{trademark}) demonstration project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. A demonstration unit producing 80,000 gallons per day (260 TPD) of methanol was designed, constructed, and has begun operation at a site located at the Eastman complex in Kingsport. The Partnership will own and operate the facility for the four-year demonstration period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to {open_quotes}demonstrate the production of methanol using the LPMEOH{trademark} Processing conjunction with an integrated coal gasification facility.{close_quotes} The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four-year demonstration period. The LPMEOH{trademark} process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfully piloted at a 10-TPD rate in the DOE-owned experimental unit at Air Products` LaPorte, Texas, site. This demonstration project is the culmination of that extensive cooperative development effort.

  11. Air Breathing Direct Methanol Fuel Cell

    DOE Patents [OSTI]

    Ren; Xiaoming

    2003-07-22

    A method for activating a membrane electrode assembly for a direct methanol fuel cell is disclosed. The method comprises operating the fuel cell with humidified hydrogen as the fuel followed by running the fuel cell with methanol as the fuel.

  12. Bio-Derived Liquids to Hydrogen Distributed Reforming Targets...

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

    Arlene F. Anderson Technology Development Manager, U.S. DOE Office of Energy Efficiency and Renewable Energy Hydrogen, Fuel Cells and Infrastructure Technologies Program ...

  13. Bio-Derived Liquids to Hydrogen Distributed Reforming Working...

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

    (PURIWG) & Hydrogen Production Technical Team 2007 Annual and Merit Review Reports compiled for the BILIWG and PURIWG working groups held November 6-7, 2007 in Laurel, Maryland. ...

  14. Agenda for the Derived Liquids to Hydrogen Distributed Reforming...

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

    Hydrogen Production Technical Team Research Review This is the agenda for the ... More Documents & Publications Meeting Action Items and Highlights from the Bio-Derived ...

  15. The self limiting effect of hydrogen cluster in gas jet under liquid nitrogen temperature

    SciTech Connect (OSTI)

    Han Jifeng; Yang Chaowen; Miao Jingwei; Fu Pengtao; Luo Xiaobing; Shi Miangong

    2010-09-15

    The generation of hydrogen clusters in gas jet is tested using the Rayleigh scattering method under liquid nitrogen temperature of 79 K. The self limiting effect of hydrogen cluster is studied and it is found that the cluster formation is greatly affected by the number of expanded molecules. The well designed liquid nitrogen cold trap ensured that the hydrogen cluster would keep maximum size for maximum 15 ms during one gas jet. The scattered light intensity exhibits a power scaling on the backing pressure ranging from 5 to 48 bar with the power value of 4.1.

  16. Low temperature methanol process

    SciTech Connect (OSTI)

    O'Hare, T.E.; Sapienza, R.S.; Mahajan, D.; Skaperdas, G.T.

    1986-06-01

    The world's abundant natural gas resources could provide methanol in fuel quantities to the utility system. Natural gas liquefaction is the current major option available for international export transport of natural gas. Gas production is on the increase and international trade even more so, with LNG making most progress. The further penetration of natural gas into distant markets can be substantially increased by a new methanol synthesis process under development. The new methanol process is made possible by the discovery of a catalyst that drops synthesis temperatures from about 275/sup 0/C to about 100/sup 0/C. Furthermore, the new catalyst is a liquid phase system, which permits the synthesis reaction to proceed at fully isothermal conditions. Therefore, the new low temperature liquid catalyst can convert synthesis gas completely to methanol in a single pass through the methanol synthesis reactor. This characteristic leads to a further major improvement in the methanol plant. Atmospheric nitrogen can be tolerated in the synthesis gas, and still the volume of gas fed to the reactor can be smaller than the volume of gas that must be fed to the reactor when accommodating the very low conversions furnished by the best of currently available catalysts. The energy disadvantage of the methanol option must be balanced against the advantage of a much lower capital investment requirement made possible by the new BNL synthesis. Preliminary estimates show that methanol conversion and shipping require an investment for liquefaction to methanol, and shipping liquefied methanol that can range from 35 to 50% of that needed for the LNG plant and LNG shipping fleet.

  17. Liquid Hydrogen Production and Delivery from a Dedicated Wind Power Plant |

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

    Department of Energy Hydrogen Production and Delivery from a Dedicated Wind Power Plant Liquid Hydrogen Production and Delivery from a Dedicated Wind Power Plant This May 2012 study assesses the costs and potential for remote renewable energy to be transported via hydrogen to a demand center for transportation use. The study is based on a projected 40 tonne/day need in the Los Angeles, California, region to serve an average 80,000 fuel cell vehicles/day. The hydrogen would be delivered from

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

    DOE Patents [OSTI]

    Nordquist, Andrew Francis; Wilhelm, Frederick Carl; Waller, Francis Joseph; Machado, Reinaldo Mario

    2002-01-01

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

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

    DOE Patents [OSTI]

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

    1989-01-01

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

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

    DOE Patents [OSTI]

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

    1989-10-17

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

  1. Molecular Mechanism of the Adsorption Process of an Iodide Anion into Liquid-Vapor Interfaces of Water-Methanol Mixtures

    SciTech Connect (OSTI)

    Annapureddy, Harsha V.; Dang, Liem X.

    2012-12-07

    To enhance our understanding of the molecular mechanism of ion adsorption to the interface of mixtures, we systematically carried out a free energy calculations study involving the transport of an iodide anion across the interface of a water-methanol mixture. Many body affects are taken into account to describe the interactions among the species. The surface propensities of I- at interfaces of pure water and methanol are well understood. In contrast, detailed knowledge of the molecular level adsorption process of I- at aqueous mixture interfaces has not been reported. In this paper, we explore how this phenomenon will be affected for mixed solvents with varying compositions of water and methanol. Our potential of mean force study as function of varying compositions indicated that I- adsorption free energies decrease from pure water to pure methanol but not linearly with the concentration of methanol. We analyze the computed density profiles and hydration numbers as a function of concentrations and ion positions with respect to the interface to further explain the observed phenomenon. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle. The calculations were carried out using computer resources provided by BES.

  2. Characterization and oxidation states of Cu and Pd in Pd?CuO/ZnO/ZrO[subscript 2] catalysts for hydrogen production by methanol partial oxidation

    SciTech Connect (OSTI)

    Schuyten, S.; Guerrero, S.; Miller, J.T.; Shibatae, T.; Wolf, E.E.

    2009-01-30

    Copper and zinc oxide based catalysts prepared by coprecipitation were promoted with palladium and ZrO{sub 2}, and their activity and selectivity for methanol oxidative reforming was measured and characterized by N{sub 2}O decomposition, X-ray absorption spectroscopy, BET, X-ray photoelectron spectroscopy, X-ray diffraction, and temperature programmed reduction. Addition of ZrO{sub 2} increased copper dispersion and surface area, with little effect on activity, while palladium promotion significantly enhanced activity with little change of the catalytic structure. A catalyst promoted with both ZrO{sub 2} and palladium yielded hydrogen below 150 C. EXAFS results under reaction conditions showed that the oxidation state of copper was influenced by palladium in the catalyst bulk. A palladium promoted catalyst contained 90% Cu{sup 0}, while the copper in an unpromoted catalyst was 100% Cu{sup 1+} at the same temperature. Palladium preferentially forms an unstable alloy with copper instead of zinc during reduction, which persists during reaction regardless of copper oxidation state. A 100-h time on stream activity measurement showed growth in copper crystallites and change in copper oxidation state resulting in decreasing activity and selectivity. A kinetic model of the reaction pathway showed that palladium and ZrO{sub 2} promoters lower the activation energy of methanol combustion and steam reforming reactions.

  3. FINAL REPORT: Room Temperature Hydrogen Storage in Nano-Confined Liquids

    SciTech Connect (OSTI)

    VAJO, JOHN

    2014-06-12

    DOE continues to seek solid-state hydrogen storage materials with hydrogen densities of ≥6 wt% and ≥50 g/L that can deliver hydrogen and be recharged at room temperature and moderate pressures enabling widespread use in transportation applications. Meanwhile, development including vehicle engineering and delivery infrastructure continues for compressed-gas hydrogen storage systems. Although compressed gas storage avoids the materials-based issues associated with solid-state storage, achieving acceptable volumetric densities has been a persistent challenge. This project examined the possibility of developing storage materials that would be compatible with compressed gas storage technology based on enhanced hydrogen solubility in nano-confined liquid solvents. These materials would store hydrogen in molecular form eliminating many limitations of current solid-state materials while increasing the volumetric capacity of compressed hydrogen storage vessels. Experimental methods were developed to study hydrogen solubility in nano-confined liquids. These methods included 1) fabrication of composites comprised of volatile liquid solvents for hydrogen confined within the nano-sized pore volume of nanoporous scaffolds and 2) measuring the hydrogen uptake capacity of these composites without altering the composite composition. The hydrogen storage capacities of these nano-confined solvent/scaffold composites were compared with bulk solvents and with empty scaffolds. The solvents and scaffolds were varied to optimize the enhancement in hydrogen solubility that accompanies confinement of the solvent. In addition, computational simulations were performed to study the molecular-scale structure of liquid solvent when confined within an atomically realistic nano-sized pore of a model scaffold. Confined solvent was compared with similar simulations of bulk solvent. The results from the simulations were used to formulate a mechanism for the enhanced solubility and to guide the

  4. Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications

    SciTech Connect (OSTI)

    Ahluwalia, R. K.; Hua, T. Q.; Peng, J. -K; Kromer, M.; Lasher, S.; McKenney, K.; Law, K.; Sinha, J.

    2011-06-21

    In 2007-2009, the DOE Hydrogen Program conducted a technical assessment of organic liquid carrier based hydrogen storage systems for automotive applications, consistent with the Program’s Multiyear Research, Development, and Demonstration Plan. This joint performance (ANL) and cost analysis (TIAX) report summarizes the results of this assessment. These results should be considered only in conjunction with the assumptions used in selecting, evaluating, and costing the systems discussed here and in the Appendices.

  5. Direct methanol fuel cell and system

    DOE Patents [OSTI]

    Wilson, Mahlon S.

    2004-10-26

    A fuel cell having an anode and a cathode and a polymer electrolyte membrane located between anode and cathode gas diffusion backings uses a methanol vapor fuel supply. A permeable polymer electrolyte membrane having a permeability effective to sustain a carbon dioxide flux equivalent to at least 10 mA/cm.sup.2 provides for removal of carbon dioxide produced at the anode by reaction of methanol with water. Another aspect of the present invention includes a superabsorpent polymer material placed in proximity to the anode gas diffusion backing to hold liquid methanol or liquid methanol solution without wetting the anode gas diffusion backing so that methanol vapor from the liquid methanol or liquid methanol-water solution is supplied to the membrane.

  6. Air breathing direct methanol fuel cell

    DOE Patents [OSTI]

    Ren, Xiaoming

    2002-01-01

    An air breathing direct methanol fuel cell is provided with a membrane electrode assembly, a conductive anode assembly that is permeable to air and directly open to atmospheric air, and a conductive cathode assembly that is permeable to methanol and directly contacting a liquid methanol source.

  7. Ultrafast conversions between hydrogen bonded structures in liquid water observed by femtosecond x-ray spectroscopy

    SciTech Connect (OSTI)

    Wen, Haidan; Huse, Nils; Schoenlein, Robert W.; Lindenberg, Aaron M.

    2010-05-01

    We present the first femtosecond soft x-ray spectroscopy in liquids, enabling the observation of changes in hydrogen bond structures in water via core-hole excitation. The oxygen K-edge of vibrationally excited water is probed with femtosecond soft x-ray pulses, exploiting the relation between different water structures and distinct x-ray spectral features. After excitation of the intramolecular OH stretching vibration, characteristic x-ray absorption changes monitor the conversion of strongly hydrogen-bonded water structures to more disordered structures with weaker hydrogen-bonding described by a single subpicosecond time constant. The latter describes the thermalization time of vibrational excitations and defines the characteristic maximum rate with which nonequilibrium populations of more strongly hydrogen-bonded water structures convert to less-bonded ones. On short time scales, the relaxation of vibrational excitations leads to a transient high-pressure state and a transient absorption spectrum different from that of statically heated water.

  8. Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group (BILIWG) Kick-Off Meeting Proceedings Hilton Garden Inn-BWI,Baltimore, MD October 24, 2006

    Broader source: Energy.gov [DOE]

    Proceedings from the October 24, 2006 Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group Kick-Off Meeting.

  9. Effect of cerium incorporation into zirconia on the activity ofCu/ZrO2 for methanol synthesis via CO hydrogenation

    SciTech Connect (OSTI)

    Pokrovski, Konstantin A.; Rhodes, Michael D.; Bell, Alexis T.

    2005-08-24

    The effects of Ce incorporation into ZrO2 on the catalyticperformance of Cu/ZrO2 for the hydrogenation of CO have beeninvestigated. A Ce0.3Zr0.7O2 solid solution was synthesized by forcedhydrolysis at low pH. After calcination at 873 K, XRD and Ramanspectroscopy characterization indicated that the Ce0.3Zr0.7O2 had a t''crystal structure. 1.2 wt percent Cu/Ce0.3Zr0.7O2 exhibited H2consumption peaks at low temperature (<473 K) during H2-TPRindicating a significant fraction (~; 70 percent) of Ce4+ is reduced toCe3+. 1.2 wt percent Cu/Ce0.3Zr0.7O2 is 2.7 times more active formethanol synthesis than 1.2 wt percent Cu/m-ZrO2 at 3.0 MPa attemperatures between 473 and 523 K and exhibits a higher selectivity tomethanol. In-situ infrared spectroscopy shows that, analogous toCu/m-ZrO2, the primary surface species on Cu/Ce0.3Zr0.7O2 during COhydrogenation are formate and methoxide species. A shift in the bandposition of the bridged methoxide species indicated that some of thesegroups were bonded to both Zr4+ and Ce3+ cations. For both catalysts, therate-limiting step for methanol synthesis is the reductive elimination ofmethoxide species. The higher rate of methanol synthesis onCu/Ce0.3Zr0.7O2 relative to Cu/m-ZrO2 was primarily due to a ~; 2.4 timeshigher apparent rate constant, kapp, for methoxide hydrogenation, whichis attributed to the higher surface concentration of H atoms on theformer catalyst. The increased capacity of the Ce-containing catalyst isattributed to interactions of H atoms with Ce-O pairs present at thesurface of the oxide phase.

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

    SciTech Connect (OSTI)

    Deshlahra, Prashant; Iglesia, Enrique

    2014-11-13

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

  11. Modeling the Thermal Mechanical Behavior of a 300 K Vacuum Vesselthat is Cooled by Liquid Hydrogen in Film Boiling

    SciTech Connect (OSTI)

    Yang, S.Q.; Green, M.A.; Lau, W.

    2004-05-07

    This report discusses the results from the rupture of a thin window that is part of a 20-liter liquid hydrogen vessel. This rupture will spill liquid hydrogen onto the walls and bottom of a 300 K cylindrical vacuum vessel. The spilled hydrogen goes into film boiling, which removes the thermal energy from the vacuum vessel wall. This report analyzes the transient heat transfer in the vessel and calculates the thermal deflection and stress that will result from the boiling liquid in contact with the vessel walls. This analysis was applied to aluminum and stainless steel vessels.

  12. Homogeneous Hydrogenation of CO? to Methyl Formate Utilizing Switchable Ionic Liquids

    SciTech Connect (OSTI)

    Yadav, Mahendra; Linehan, John C.; Karkamkar, Abhijeet J.; Van Der Eide, Edwin F.; Heldebrant, David J.

    2014-09-15

    Capture of CO? and subsequent hydrogenation allows for base/alcohol-catalyzed conversion of CO? to methylformate in one pot. The conversion of CO? proceeds via alkylcarbonates, to formate salts and then formate esters, which can be catalyzed by base and alcohol with the only byproduct being water. The system operates at mild conditions (300 psi H?, 140 °C). Reactivity is strongly influenced by temperature and choice of solvent. In the presence of excess of base (DBU) formate is predominant product while in excess of methanol methyl formate is major product. 110 °C yields formate salts, 140 °C promotes methylformate. The authors acknowledge internal Laboratory Directed Re-search and Development (LDRD) funding from Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy.

  13. OTEC energy via methanol production

    SciTech Connect (OSTI)

    Avery, W.H.; Richards, D.; Niemeyer, W.G.; Shoemaker, J.D.

    1983-01-01

    The conceptual design of an 160 MW/sub e/ OTEC plantship has been documented; it is designed to produce 1000 tonne/day of fuel-grade methanol from coal slurry shipped to the plantship, using oxygen and hydrogen from the on-board electrolysis of water. Data and components are used that were derived by Brown and Root Development, Inc. (BARDI) in designing a barge-mounted plant to make methanol from natural gas for Litton Industries and in the design and construction of a coal-to-ammonia demonstration plant in operation at Muscle Shoals, Alabama, for the Tennessee Valley Authority (TVA). The OTEC-methanol plant design is based on the use of the Texaco gasifier and Lurgi synthesis units. The sale price of OTEC methanol delivered to port from this first-of-a-kind plant is estimated to be marginally competitive with methanol from other sources at current market prices.

  14. Observation of Fractional Stokes-Einstein Behavior in the Simplest Hydrogen-bonded Liquid

    SciTech Connect (OSTI)

    Herwig, Kenneth W; Molaison, Jamie J; Fernandez-Alonso, F.; Bermejo, F. J.; Turner, John F. C.; McLain, Sylvia E.

    2007-01-01

    Quasielastic neutron scattering has been used to investigate the single-particle dynamics of hydrogen fluoride across its entire liquid range at ambient pressure. For T > 230 K, translational diffusion obeys the celebrated Stokes-Einstein relation, in agreement with nuclear magnetic resonance studies. At lower temperatures, we find significant deviations from the above behavior in the form of a power law with exponent xi = -0.71+/-0.05. More striking than the above is a complete breakdown of the Debye-Stokes-Einstein relation for rotational diffusion. Our findings provide the first experimental verification of fractional Stokes-Einstein behavior in a hydrogen-bonded liquid, in agreement with recent computer simulations.

  15. Liquid–solid phase transition of hydrogen and deuterium in silica aerogel

    SciTech Connect (OSTI)

    Van Cleve, E.; Worsley, M. A.; Kucheyev, S. O.

    2014-10-28

    Behavior of hydrogen isotopes confined in disordered low-density nanoporous solids remains essentially unknown. Here, we use relaxation calorimetry to study freezing and melting of H{sub 2} and D{sub 2} in an ?85%-porous base-catalyzed silica aerogel. We find that liquid–solid transition temperatures of both isotopes inside the aerogel are depressed. The phase transition takes place over a wide temperature range of ?4?K and non-trivially depends on the liquid filling fraction, reflecting the broad pore size distribution in the aerogel. Undercooling is observed for both H{sub 2} and D{sub 2} confined inside the aerogel monolith. Results for H{sub 2} and D{sub 2} are extrapolated to tritium-containing hydrogens with the quantum law of corresponding states.

  16. CO2 hydrogenation to formate and methanol as an alternative to photo- and electrochemical CO2 reduction

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

    Wang, Wan -Hui; Himeda, Yuichiro; Muckerman, James T.; Manbeck, Gerald F.; Fujita, Etsuko

    2015-09-03

    In this study, carbon dioxide is one of the end products of combustion, and is not a benign component of the atmosphere. The concentration of CO2 in the atmosphere has reached unprecedented levels and continues to increase owing to an escalating rate of fossil fuel combustion, causing concern about climate change and rising sea levels. In view of the inevitable depletion of fossil fuels, a possible solution to this problem is the recycling of carbon dioxide, possibly captured at its point of generation, to fuels. Researchers in this field are using solar energy for CO2 activation and utilization in severalmore » ways: (i) so-called artificial photosynthesis using photo-induced electrons; (ii) bulk electrolysis of a CO2 saturated solution using electricity produced by photovoltaics; (iii) CO2 hydrogenation using solar-produced H2; and (iv) the thermochemical reaction of metal oxides at extremely high temperature reached by solar collectors. Since the thermodynamics of CO2 at high temperature (> 1000 ºC) are quite different from those near room temperature, only chemistry below 200 ºC is discussed in this review.« less

  17. Liquid-phase methanol process development unit: installation, operation, and support studies. Technical progress report No. 1, 28 September 1981-31 December 1981

    SciTech Connect (OSTI)

    Not Available

    1982-01-20

    During this period the Work Breakdown Structure Dictionary was established. Task 1 was completed with submittal of the Project Work Plan and the Quality Assurance Manual. CSI produced basic process design information and a preliminary flowsheet for the LaPorte LPMeOH PDU. APCI developed the flowsheet further and set up the process on APCI's process simulator. The flowsheet development revealed a number of major changes necessary in the existing LPM pilot plant; this has led to pursuit of a unified design concept. Approval was requested for the unified design concept as well as advanced schedule for relocation of the LPM unit and advanced procurement of long delivery equipment items. A number of preliminary heat and material balances were calculated for the LPMeOH PDU and preliminary process specifications were prepared for the equipment items. The final design basis was established. The design pressure was set at 1000 psig. Eight design operating cases were defined for the following range of reactor operating conditions: Pressure - 500 to 900 psig, Temperature - 220 to 270/sup 0/C, Liquid-Fluidized Space Velocity - 1000 to 4000 l/hr-kg catalyst, Liquid-Entrained Space Velocity - 2000 to 10,000 l/hr-kg catalyst, and Liquid-Entrained Catalyst Loading - 0.1 to 0.4 kg catalyst/l oil. The methanol production rate for these cases ranges from 0.2 to 9.7 short tons per day. Preliminary equipment arrangement and site layout drawings were prepared for the PDU. In the laboratories, CSI began autoclave testing of in-situ catalyst reduction procedures. The specification and evaluation of equipment for the CSI laboratory PDU progressed. CSI prepared and issued a Topical Report covering liquid-entrained LPMeOH lab development work accomplished under advance funding. APCI's laboratories progressed with the design of the bench scale slurry reactor.

  18. Methanol | Open Energy Information

    Open Energy Info (EERE)

    Methanol Jump to: navigation, search TODO: Add description List of Methanol Incentives Retrieved from "http:en.openei.orgwindex.php?titleMethanol&oldid267176" Feedback...

  19. Liquid phase methanol LaPorte process development unit: Modification operation, and support studies. Task 3.6/3.7: Alternative catalyst/life run

    SciTech Connect (OSTI)

    Not Available

    1991-01-28

    In April 1987, Air Products started the third and final contract with the US Department of Energy to develop the Liquid Phase Methanol (LPMEOH) process. One of the objectives was to identify alternative commercial catalyst(s) for the process. This objective was strategically important as we want to demonstrate that the LPMEOH process is flexible and not catalyst selection limited. Among three commercially available catalysts evaluated in the lab, the catalyst with a designation of F21/0E75-43 was the most promising candidate. The initial judging criteria included not only the intrinsic catalyst activity but also the ability to be used effectively in a slurry reactor. The catalyst was then advanced for a 40-day life test in a laboratory 300 cc autoclave. The life test result also revealed superior stability when compared with that of a standard catalyst. Consequently, the new catalyst was recommended for demonstration in the Process Development Unit (PDU) at LaPorte, Texas. This report details the methodology of testing and selecting the catalyst.

  20. Method and apparatus for electrokinetic co-generation of hydrogen and electric power from liquid water microjets

    DOE Patents [OSTI]

    Saykally, Richard J; Duffin, Andrew M; Wilson, Kevin R; Rude, Bruce S

    2013-02-12

    A method and apparatus for producing both a gas and electrical power from a flowing liquid, the method comprising: a) providing a source liquid containing ions that when neutralized form a gas; b) providing a velocity to the source liquid relative to a solid material to form a charged liquid microjet, which subsequently breaks up into a droplet spay, the solid material forming a liquid-solid interface; and c) supplying electrons to the charged liquid by contacting a spray stream of the charged liquid with an electron source. In one embodiment, where the liquid is water, hydrogen gas is formed and a streaming current is generated. The apparatus comprises a source of pressurized liquid, a microjet nozzle, a conduit for delivering said liquid to said microjet nozzle, and a conductive metal target sufficiently spaced from said nozzle such that the jet stream produced by said microjet is discontinuous at said target. In one arrangement, with the metal nozzle and target electrically connected to ground, both hydrogen gas and a streaming current are generated at the target as it is impinged by the streaming, liquid spray microjet.

  1. Capacity Enhancement of Aqueous Borohydride Fuels for hydrogen storage in liquids

    SciTech Connect (OSTI)

    Schubert, David M.; Neiner, Doinita; Bowden, Mark E.; Whittemore, Sean M.; Holladay, Jamelyn D.; Huang, Zhenguo; Autrey, Thomas

    2015-10-05

    In this work we demonstrate enhanced hydrogen storage capacities through increased solubility of sodium borate product species in aqueous media achieved by adjusting the sodium (NaOH) to boron (B(OH)3) ratio, i.e., M/B, to obtain a distribution of polyborate anions. For a 1:1 mole ratio of NaOH to B(OH)3, M/B = 1, the ratio of the hydrolysis product formed from NaBH4 hydrolysis, the sole borate species formed and observed by 11B NMR is sodium metaborate, NaB(OH)4. When the ratio is 1:3 NaOH to B(OH)3, M/B = 0.33, a mixture of borate anions is formed and observed as a broad peak in the 11B NMR spectrum. The complex polyborate mixture yields a metastable solution that is difficult to crystallize. Given the enhanced solubility of the polyborate mixture formed when M/B = 0.33 it should follow that the hydrolysis of sodium octahydrotriborate, NaB3H8, can provide a greater storage capacity of hydrogen for fuel cell applications compared to sodium borohydride while maintaining a single phase. Accordingly, the hydrolysis of a 23 wt% NaB3H8 solution in water yields a solution having the same complex polyborate mixture as formed by mixing a 1:3 molar ratio of NaOH and B(OH)3 and releases >8 eq of H2. By optimizing the M/B ratio a complex mixture of soluble products, including B3O3(OH)52-, B4O5(OH)42-, B3O3(OH)4-, B5O6(OH)4- and B(OH)3, can be maintained as a single liquid phase throughout the hydrogen release process. Consequently, hydrolysis of NaB3H8 can provide a 40% increase in H2 storage density compared to the hydrolysis of NaBH4 given the decreased solubility of sodium metaborate. The authors would like to thank Jim Sisco and Paul Osenar of Protonex Inc. for useful discussion regarding liquid hydrogen storage materials for portable power applications and the U.S. DoE Office of Energy Efficiency and Renewable Energy Fuel Cell Technologies Office for their continued interest in liquid hydrogen storage carriers. Pacific Northwest National Laboratory is a multi

  2. The Advanced High-Temperature Reactor (AHTR) for Producing Hydrogen to Manufacture Liquid Fuels

    SciTech Connect (OSTI)

    Forsberg, C.W.; Peterson, P.F.; Ott, L.

    2004-10-06

    Conventional world oil production is expected to peak within a decade. Shortfalls in production of liquid fuels (gasoline, diesel, and jet fuel) from conventional oil sources are expected to be offset by increased production of fuels from heavy oils and tar sands that are primarily located in the Western Hemisphere (Canada, Venezuela, the United States, and Mexico). Simultaneously, there is a renewed interest in liquid fuels from biomass, such as alcohol; but, biomass production requires fertilizer. Massive quantities of hydrogen (H2) are required (1) to convert heavy oils and tar sands to liquid fuels and (2) to produce fertilizer for production of biomass that can be converted to liquid fuels. If these liquid fuels are to be used while simultaneously minimizing greenhouse emissions, nonfossil methods for the production of H2 are required. Nuclear energy can be used to produce H2. The most efficient methods to produce H2 from nuclear energy involve thermochemical cycles in which high-temperature heat (700 to 850 C) and water are converted to H2 and oxygen. The peak nuclear reactor fuel and coolant temperatures must be significantly higher than the chemical process temperatures to transport heat from the reactor core to an intermediate heat transfer loop and from the intermediate heat transfer loop to the chemical plant. The reactor temperatures required for H2 production are at the limits of practical engineering materials. A new high-temperature reactor concept is being developed for H2 and electricity production: the Advanced High-Temperature Reactor (AHTR). The fuel is a graphite-matrix, coated-particle fuel, the same type that is used in modular high-temperature gas-cooled reactors (MHTGRs). The coolant is a clean molten fluoride salt with a boiling point near 1400 C. The use of a liquid coolant, rather than helium, reduces peak reactor fuel and coolant temperatures 100 to 200 C relative to those of a MHTGR. Liquids are better heat transfer fluids than gases

  3. Air breathing direct methanol fuel cell

    DOE Patents [OSTI]

    Ren, Xiaoming; Gottesfeld, Shimshon

    2002-01-01

    An air breathing direct methanol fuel cell is provided with a membrane electrode assembly, a conductive anode assembly that is permeable to air and directly open to atmospheric air, and a conductive cathode assembly that is permeable to methanol and directly contacting a liquid methanol source. Water loss from the cell is minimized by making the conductive cathode assembly hydrophobic and the conductive anode assembly hydrophilic.

  4. Design of a reconfigurable liquid hydrogen fuel tank for use in the Genii unmanned aerial vehicle

    SciTech Connect (OSTI)

    Adam, Patrick; Leachman, Jacob

    2014-01-29

    Long endurance flight, on the order of days, is a leading flight performance characteristic for Unmanned Aerial Vehicles (UAVs). Liquid hydrogen (LH2) is well suited to providing multi-day flight times with a specific energy 2.8 times that of conventional kerosene based fuels. However, no such system of LH2 storage, delivery, and use is currently available for commercial UAVs. In this paper, we develop a light weight LH2 dewar for integration and testing in the proton exchange membrane (PEM) fuel cell powered, student designed and constructed, Genii UAV. The fuel tank design is general for scaling to suit various UAV platforms. A cylindrical vacuum-jacketed design with removable end caps was chosen to incorporate various fuel level gauging, pressurizing, and slosh mitigation systems. Heat and mechanical loadings were modeled to compare with experimental results. Mass performance of the fuel tank is characterized by the fraction of liquid hydrogen to full tank mass, and the insulation performance was characterized by effective thermal conductivity and boil-off rate.

  5. Deactivation of methanol synthesis catalysts

    SciTech Connect (OSTI)

    Roberts, G.W.; Brown, D.M.; Hsiung, T.H.; Lewnard, J.J. (Air Products and Chemicals, Inc., Allentown, PA (United States))

    1993-08-01

    A novel methanol synthesis process, the liquid-phase methanol (LPMEOH) process, has been developed and scaled up to a nominal 380 kg/h (10 ton/day) pilot plant. The process is based on a gas-sparged slurry reactor instead of a conventional, fixed-bed reactor. The use of slurry reactors, which are essentially gradientless, greatly facilitated the interpretation and quantification of catalyst deactivation phenomena. With a poison-free, CO-rich feedstream, the rate of deactivation of the Cu/ZnO catalyst increased rapidly with temperature. At constant temperature, in the absence of poisons, the decline with time in the rate constant for methanol synthesis correlated with the loss of BET surface area. Iron carbonyl, nickel carbonyl, and carbonyl sulfide are severe and highly specific poisons for methanol-synthesis catalyst. There was a linear relationship between the catalyst activity loss and the concentration of metal or sulfur on the catalyst.

  6. Hydrogen Liquefaction

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

    Equilibrium Liquid Hydrogen is 0.2% Ortho, 99.8% Para 3 Liquid Supply North America ... Forecourt: attributes & challenges (NFPA-55) Energy & Capital: LH2 will ...

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

    SciTech Connect (OSTI)

    Hyeon-Deuk, Kim; Ando, Koji

    2014-05-07

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

  8. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Technical progress report number 11, January 1--March 31, 1997

    SciTech Connect (OSTI)

    1997-06-11

    During this quarter, the third draft of the Topical Report on Process Economics Studies was issued for review. A recommendation to continue with design verification testing on the coproduction of methanol and dimethyl ether (DME) was made. A liquid phase dimethyl ether (LPDME) catalyst system with reasonable long-term activity and stability is being developed, and a decision to proceed with a proof-of-concept test run at the LaPorte Alternative Fuels Development Unit (AFDU) is pending the release of a memo from Air Products on the catalyst targets and corresponding economics for a commercially successful LPDME catalyst. The off-site product-use test plan is to be updated in June of 1997. During this quarter, Air Products and Acurex Environmental Corporation continued developing the listing of product-use test participants who are involved in fuel cell, transportation, and stationary power plant applications. Start-up activities (Task 3.1) began during the reporting period, and coal-derived synthesis gas (syngas) was introduced to the demonstration unit. The recycle compressor was tested successfully on syngas at line pressure of 700 psig, and the reactor loop reached 220 C for carbonyl burnout. Iron carbonyl in the balanced gas feed remained below the 10 ppbv detection limit for all samples but one. Within the reactor loop, iron carbonyl levels peaked out near 200 ppbv after about 40 hours on-stream, before decreasing to between 10--20 ppbv at 160 hours on -stream. Nickel carbonyl measurements reached a peak of about 60 ppbv, and decreased at all sampling locations to below the 10 ppbv detection limit by 70 hours on-stream. Catalyst activation of the nine 2,250 lb batches required for the initial catalyst charge began and concluded. All batches met or slightly exceeded the theoretical maximum uptake of 2.82 SCF of reducing gas/lb catalyst.

  9. Investigation of parameters of interaction of hydrogen isotopes with liquid lithium and lithium capillary-porous system under reactor irradiation

    SciTech Connect (OSTI)

    Tazhibayeva, I. L. Kulsartov, T. V.; Gordienko, Yu. N.; Zaurbekova, Zh. A.; Ponkratov, Yu. V.; Barsukov, N. I.; Tulubayev, Ye. Yu.; Baklanov, V. V.; Gnyrya, V. S.; Kenzhin, Ye. A.

    2015-12-15

    In this study, the effect of reactor irradiation on the processes of interaction of hydrogen with liquid lithium and a lithium capillary-porous system (CPS) is considered. The experiments are carried out by the gas-absorption method with use of a specially designed ampoule device. The results of investigation of the interaction of hydrogen with liquid lithium and a lithium CPS under conditions of reactor irradiation are described; namely, these are the temperature dependences of the rate constant for the interaction of hydrogen with liquid lithium at different reactor powers, the activation energies of the processes, and the pre-exponential factor in the Arrhenius dependence. The effect of increasing absorption of hydrogen by the samples under investigation as a result of the reactor irradiation is fixed. The effect can be explained by increasing mobility of hydrogen in liquid lithium due to hot spots in lithium bulk and the interaction of helium and tritium ions (formed as a result of the nuclear reaction of {sup 6}Li with neutron) with a surface hydride film.

  10. Transport of thermal neutrons in different forms of liquid hydrogen and the production of intense beams of cold neutrons

    SciTech Connect (OSTI)

    Swaminathan, K.; Tewari, S.P.

    1982-10-01

    From their studies the authors find that the thermal neutron inelastic scattering kernel incorporating the chemical binding energy in liquid hydrogen is able to successfully explain various neutron transport studies such as pulsed neutron and steady-state neutron spectra. For an infinite-sized assembly, D/sub 2/ at 4 K yields a very intense flux of cold and ultracold neutrons. For the practicable finite assembly corresponding to B/sup 2/ = 0.0158 cm/sup -2/, it is found that liquid hydrogen at 11 K gives the most intense beam of cold neutrons.

  11. Liquid Fuel From Bacteria: Engineering Ralstonia eutropha for Production of Isobutanol (IBT) Motor Fuel from CO2, Hydrogen, and Oxygen

    SciTech Connect (OSTI)

    2010-07-15

    Electrofuels Project: MIT is using solar-derived hydrogen and common soil bacteria called Ralstonia eutropha to turn carbon dioxide (CO2) directly into biofuel. This bacteria already has the natural ability to use hydrogen and CO2 for growth. MIT is engineering the bacteria to use hydrogen to convert CO2 directly into liquid transportation fuels. Hydrogen is a flammable gas, so the MIT team is building an innovative reactor system that will safely house the bacteria and gas mixture during the fuel-creation process. The system will pump in precise mixtures of hydrogen, oxygen, and CO2, and the online fuel-recovery system will continuously capture and remove the biofuel product.

  12. Polymer electrolyte direct methanol fuel cells: an option for transportation applications

    SciTech Connect (OSTI)

    Gottesfeld, S.; Cleghorn, S.J.C.; Ren, X.; Springer, T.E.; Wilson, M.S.; Zawodzinski, T.A.

    1996-10-01

    PEFCs most frequently considered for electric vehicles have been based on either hydrogen carried aboard, or steam-reforming of methanol on board to produce H2 + CO2. Direct methanol fuel cells (DMFCs), which use a liquid methanol fuel feed, completely avoid the complexity and weight penalties of the reformer, but have not been considered a serious option until recently, because of much lower power densities. Recent advances in DMFCs have been dramatic, however, with the DMFC reaching power densities which are significant fractions of those provided by reformate/air fuel cells. Use of established Pt-Ru anode electrocatalysts and Pt cathode electrocatalysts in polymer electrolyte DMFCs has resulted in enhanced DMFC performance, particularly when operated above 100 C and when catalyst layer composition and structure are optimized. The higher DMFC power densities recently achieved provide a new basis for considering DMFCs for transportation applications.

  13. Process for the conversion of carbonaceous feedstocks to particulate carbon and methanol

    DOE Patents [OSTI]

    Steinberg, M.; Grohse, E.W.

    1995-06-27

    A process is described for the production of a pollutant-free particulate carbon (i.e., a substantially ash-, sulfur- and nitrogen-free carbon) from carbonaceous feedstocks. The basic process involves de-oxygenating one of the gas streams formed in a cyclic hydropyrolysis-methane pyrolysis process in order to improve conversion of the initial carbonaceous feedstock. De-oxygenation is effected by catalytically converting carbon monoxide, carbon dioxide, and hydrogen contained in one of the pyrolysis gas streams, preferably the latter, to a methanol co-product. There are thus produced two products whose use is known per se, viz., a substantially pollutant-free particulate carbon black and methanol. These products may be admixed in the form of a liquid slurry of carbon black in methanol. 3 figs.

  14. Process for the conversion of carbonaceous feedstocks to particulate carbon and methanol

    DOE Patents [OSTI]

    Steinberg, Meyer; Grohse, Edward W.

    1995-01-01

    A process for the production of a pollutant-free particulate carbon (i.e., a substantially ash-, sulfur- and nitrogen-free carbon) from carbonaceous feedstocks. The basic process involves de-oxygenating one of the gas streams formed in a cyclic hydropyrolysis-methane pyrolysis process in order to improve conversion of the initial carbonaceous feedstock. De-oxygenation is effected by catalytically converting carbon monoxide, carbon dioxide, and hydrogen contained in one of the pyrolysis gas streams, preferably the latter, to a methanol co-product. There are thus produced two products whose use is known per se, viz., a substantially pollutant-free particulate carbon black and methanol. These products may be admixed in the form of a liquid slurry of carbon black in methanol.

  15. hydrogen

    National Nuclear Security Administration (NNSA)

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

  16. hydrogen

    National Nuclear Security Administration (NNSA)

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

  17. Challenges and design solutions of the liquid hydrogen circuit at the European Spallation Source

    SciTech Connect (OSTI)

    Gallimore, S.; Nilsson, P.; Sabbagh, P.; Takibayev, A.; Weisend II, J. G.; Beßler, Y.; Klaus, M.

    2014-01-29

    The European Spallation Source (ESS), Lund, Sweden will be a 5MW long-pulse neutron spallation research facility and will enable new opportunities for researchers in the fields of life sciences, energy, environmental technology, cultural heritage and fundamental physics. Neutrons are produced by accelerating a high-energy proton beam into a rotating helium-cooled tungsten target. These neutrons pass through moderators to reduce their energy to an appropriate range (< 5 meV for cold neutrons); two of which will use liquid hydrogen at 17 K as the moderating and cooling medium. There are several technical challenges to overcome in the design of a robust system that will operate under such conditions, not least the 20 kW of deposited heat. These challenges and the associated design solutions will be detailed in this paper.

  18. Methanol production method and system

    DOE Patents [OSTI]

    Chen, Michael J.; Rathke, Jerome W.

    1984-01-01

    Ethanol is selectively produced from the reaction of methanol with carbon monoxide and hydrogen in the presence of a transition metal carbonyl catalyst. Methanol serves as a solvent and may be accompanied by a less volatile co-solvent. The solution includes the transition metal carbonyl catalysts and a basic metal salt such as an alkali metal or alkaline earth metal formate, carbonate or bicarbonate. A gas containing a high carbon monoxide to hydrogen ratio, as is present in a typical gasifer product, is contacted with the solution for the preferential production of ethanol with minimal water as a byproduct. Fractionation of the reaction solution provides substantially pure ethanol product and allows return of the catalysts for reuse.

  19. The effect of operation and design parameters on the performance of the direct methanol fuel cell

    SciTech Connect (OSTI)

    Simpson, S.F.; Cisar, A.; Franaszczuk, K.

    1996-12-31

    Fuel cell technology continues to receive considerable attention as a potential replacement for fossil fuels as a primary source of terrestrial power. Ideally, such power systems would operate at relatively low temperatures (< 100{degrees}C) which suggests strongly the use of cell technology based upon the proton exchange membrane (PEM). Without question, hydrogen is a very desirable fuel choice for these types of systems, because of its high energy density. However, the difficulties associated with the production and routine handling of hydrogen limit severely its commercial use at present. The direct methanol fuel cell (DMFC) is a particularly attractive alternative to the use of the hydrogen/oxygen cell. Although not as high as hydrogen, the energy density of methanol is the highest among the organic fuels. Furthermore, because of the similarity in liquid handling requirements between methanol and gasoline, a significant portion of the infrastructure necessary for the marketing and distribution of the fuel is already in place. Other inherent attributes of the DMFC which include rapid start-up and operation with little or no emission or noise signature have led to an intense DMFC research effort over the past twenty years and, indeed, the DMFC has even been referred to as {open_quotes}the electrochemist`s dream{close_quotes}.

  20. Hydrogenation of CO2 to methanol on CeOx/Cu(111) and ZnO/Cu(111) catalysts: Role of the metal-oxide interface and importance of Ce3+ sites

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

    Sanjaya D. Senanayake; Ramirez, Pedro J.; Waluyo, Iradwikanari; Kundu, Shankhamala; Mudiyanselage, Kumudu; Liu, Zongyuan; Liu, Zhi; Axnanda, Stephanus; Stacchiola, Dario J.; Evans, Jaime; et al

    2016-01-06

    The role of the interface between a metal and oxide (CeOx–Cu and ZnO–Cu) is critical to the production of methanol through the hydrogenation of CO2 (CO2 + 3H2 → CH3OH + H2O). The deposition of nanoparticles of CeOx or ZnO on Cu(111), θoxi < 0.3 monolayer, produces highly active catalysts for methanol synthesis. The catalytic activity of these systems increases in the sequence: Cu(111) < ZnO/Cu(111) < CeOx/Cu(111). The apparent activation energy for the CO2 → CH3OH conversion decreases from 25 kcal/mol on Cu(111) to 16 kcal/mol on ZnO/Cu(111) and 13 kcal/mol on CeOx/Cu(111). The surface chemistry of the highlymore » active CeOx–Cu(111) interface was investigated using ambient pressure X-ray photoemission spectroscopy (AP-XPS) and infrared reflection absorption spectroscopy (AP-IRRAS). Both techniques point to the formation of formates (HCOO–) and carboxylates (CO2δ–) during the reaction. Our results show an active state of the catalyst rich in Ce3+ sites which stabilize a CO2δ– species that is an essential intermediate for the production of methanol. Furthermore, the inverse oxide/metal configuration favors strong metal–oxide interactions and makes possible reaction channels not seen in conventional metal/oxide catalysts.« less

  1. Homogeneous catalyst formulations for methanol production

    DOE Patents [OSTI]

    Mahajan, Devinder; Sapienza, Richard S.; Slegeir, William A.; O'Hare, Thomas E.

    1990-01-01

    There is disclosed synthesis of CH.sub.3 OH from carbon monoxide and hydrogen using an extremely active homogeneous catalyst for methanol synthesis directly from synthesis gas. The catalyst operates preferably between 100.degree.-150.degree. C. and preferably at 100-150 psia synthesis gas to produce methanol. Use can be made of syngas mixtures which contain considerable quantities of other gases, such as nitrogen, methane or excess hydrogen. The catalyst is composed of two components: (a) a transition metal carbonyl complex and (b) an alkoxide component. In the simplest formulation, component (a) is a complex of nickel tetracarbonyl and component (b) is methoxide (CH.sub.3 O.sup.13 ), both being dissolved in a methanol solvent system. The presence of a co-solvent such as p-dioxane, THF, polyalcohols, ethers, hydrocarbons, and crown ethers accelerates the methanol synthesis reaction.

  2. Homogeneous catalyst formulations for methanol production

    DOE Patents [OSTI]

    Mahajan, Devinder; Sapienza, Richard S.; Slegeir, William A.; O'Hare, Thomas E.

    1991-02-12

    There is disclosed synthesis of CH.sub.3 OH from carbon monoxide and hydrogen using an extremely active homogeneous catalyst for methanol synthesis directly from synthesis gas. The catalyst operates preferably between 100.degree.-150.degree. C. and preferably at 100-150 psia synthesis gas to produce methanol. Use can be made of syngas mixtures which contain considerable quantities of other gases, such as nitrogen, methane or excess hydrogen. The catalyst is composed of two components: (a) a transition metal carbonyl complex and (b) an alkoxide component. In the simplest formulation, component (a) is a complex of nickel tetracarbonyl and component (b) is methoxide (CH.sub.3 O.sup.-), both being dissolved in a methanol solvent system. The presence of a co-solvent such as p-dioxane, THF, polyalcohols, ethers, hydrocarbons, and crown ethers accelerates the methanol synthesis reaction.

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

    DOE Patents [OSTI]

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

    2014-06-03

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

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

    SciTech Connect (OSTI)

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

    2016-01-01

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

  5. Hydrogenation of CO2 to methanol: Importance of metal–oxide and metal–carbide interfaces in the activation of CO2

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

    Rodriguez, José A.; Liu, Ping; Stacchiola, Dario J.; Senanayake, Sanjaya D.; White, Michael G.; Chen, Jingguang G.

    2015-09-30

    In this study, the high thermochemical stability of CO2 makes it very difficult to achieve the catalytic conversion of the molecule into alcohols or other hydrocarbon compounds, which can be used as fuels or the starting point for the generation of fine chemicals. Pure metals and bimetallic systems used for the CO2 → CH3OH conversion usually bind CO2 too weakly and, thus, show low catalytic activity. Here, we discuss a series of recent studies that illustrate the advantages of metal–oxide and metal–carbide interfaces when aiming at the conversion of CO2 into methanol. CeOx/Cu(111), Cu/CeOx/TiO2(110), and Au/CeOx/TiO2(110) exhibit an activity formore » the CO2 → CH3OH conversion that is 2–3 orders of magnitude higher than that of a benchmark Cu(111) catalyst. In the Cu–ceria and Au–ceria interfaces, the multifunctional combination of metal and oxide centers leads to complementary chemical properties that open active reaction pathways for methanol synthesis. Efficient catalysts are also generated after depositing Cu and Au on TiC(001). In these cases, strong metal–support interactions modify the electronic properties of the admetals and make them active for the binding of CO2 and its subsequent transformation into CH3OH at the metal–carbide interfaces.« less

  6. Thin liquid/gas diffusion layers for high-efficiency hydrogen production from water splitting

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

    Mo, Jingke; Retterer, Scott T.; Cullen, David A.; Toops, Todd J.; Green, Jr, Johney Boyd; Zhang, Feng-Yuan

    2016-06-13

    Liquid/gas diffusion layers (LGDLs) play a crucial role in electrochemical energy technology and hydrogen production, and are expected to simultaneously transport electrons, heat, and reactants/products with minimum voltage, current, thermal, interfacial, and fluidic losses. In addition, carbon materials, which are typically used in proton exchange membrane fuel cells (PEMFCs), are unsuitable for PEM electrolyzer cells (PEMECs). In this study, a novel titanium thin LGDL with well-tunable pore morphologies was developed by employing nano-manufacturing and was applied in a standard PEMEC. The LGDL tests show significant performance improvements. The operating voltages required at a current density of 2.0 A/cm2 were asmore » low as 1.69 V, and its efficiency reached a report high of up to 88%. The new thin and flat LGDL with well-tunable straight pores has been demonstrated to remarkably reduce the ohmic, interfacial and transport losses. In addition, well-tunable features, including pore size, pore shape, pore distribution, and thus porosity and permeability, will be very valuable for developing PEMEC models and for validation of its simulations with optimal and repeatable performance. The LGDL thickness reduction from greater than 350 μm of conventional LGDLs to 25 μm will greatly decrease the weight and volume of PEMEC stacks, and represents a new direction for future developments of low-cost PEMECs with high performance.« less

  7. Hydrogen-bonding interactions and protic equilibria in room-temperature ionic liquids containing crown ethers.

    SciTech Connect (OSTI)

    Marin, T.; Shkrob, I.; Dietz, M.

    2011-04-14

    Nuclear magnetic resonance (NMR) spectroscopy has been used to study hydrogen-bonding interactions between water, associated and dissociated acids (i.e., nitric and methanesulfonic acids), and the constituent ions of several water-immiscible room-temperature ionic liquids (ILs). In chloroform solutions also containing a crown ether (CE), water molecules strongly associate with the IL ions, and there is rapid proton exchange between these bound water molecules and hydronium associated with the CE. In neat ILs, the acids form clusters differing in their degree of association and ionization, and their interactions with the CEs are weak. The CE can either promote proton exchange between different clusters in IL solution when their association is weak or inhibit such exchange when the association is strong. Even strongly hydrophobic ILs are shown to readily extract nitric acid from aqueous solution, typically via the formation of a 1:1:1 {l_brace}H{sub 3}O{sup +} {center_dot} CE{r_brace}NO{sub 3}{sup -} complex. In contrast, the extraction of methanesulfonic acid is less extensive and proceeds mainly by IL cation-hydronium ion exchange. The relationship of these protic equilibria to the practical application of hydrophobic ILs (e.g., in spent nuclear fuel reprocessing) is discussed.

  8. Hydrogenation of CO2 to methanol: Importance of metal–oxide and metal–carbide interfaces in the activation of CO2

    SciTech Connect (OSTI)

    Rodriguez, José A.; Liu, Ping; Stacchiola, Dario J.; Senanayake, Sanjaya D.; White, Michael G.; Chen, Jingguang G.

    2015-09-30

    In this study, the high thermochemical stability of CO2 makes it very difficult to achieve the catalytic conversion of the molecule into alcohols or other hydrocarbon compounds, which can be used as fuels or the starting point for the generation of fine chemicals. Pure metals and bimetallic systems used for the CO2 → CH3OH conversion usually bind CO2 too weakly and, thus, show low catalytic activity. Here, we discuss a series of recent studies that illustrate the advantages of metal–oxide and metal–carbide interfaces when aiming at the conversion of CO2 into methanol. CeOx/Cu(111), Cu/CeOx/TiO2(110), and Au/CeOx/TiO2(110) exhibit an activity for the CO2 → CH3OH conversion that is 2–3 orders of magnitude higher than that of a benchmark Cu(111) catalyst. In the Cu–ceria and Au–ceria interfaces, the multifunctional combination of metal and oxide centers leads to complementary chemical properties that open active reaction pathways for methanol synthesis. Efficient catalysts are also generated after depositing Cu and Au on TiC(001). In these cases, strong metal–support interactions modify the electronic properties of the admetals and make them active for the binding of CO2 and its subsequent transformation into CH3OH at the metal–carbide interfaces.

  9. Enhanced methanol utilization in direct methanol fuel cell

    DOE Patents [OSTI]

    Ren, Xiaoming; Gottesfeld, Shimshon

    2001-10-02

    The fuel utilization of a direct methanol fuel cell is enhanced for improved cell efficiency. Distribution plates at the anode and cathode of the fuel cell are configured to distribute reactants vertically and laterally uniformly over a catalyzed membrane surface of the fuel cell. A conductive sheet between the anode distribution plate and the anodic membrane surface forms a mass transport barrier to the methanol fuel that is large relative to a mass transport barrier for a gaseous hydrogen fuel cell. In a preferred embodiment, the distribution plate is a perforated corrugated sheet. The mass transport barrier may be conveniently increased by increasing the thickness of an anode conductive sheet adjacent the membrane surface of the fuel cell.

  10. Conversion of Hydrogen Sulfide in Coal Gases to Liquid Elemental Sulfur with Monolithic Catalysts

    SciTech Connect (OSTI)

    K. C. Kwon

    2007-09-30

    of syngas appear to behave as inert with respect to sulfur formed at the SSRP conditions. One problem in the SSRP process that needs to be eliminated or minimized is COS formation that may occur due to reaction of CO with sulfur formed from the Claus reaction. The objectives of this research are to formulate monolithic catalysts for removal of H{sub 2}S from coal gases and minimum formation of COS with monolithic catalyst supports, {gamma}-alumina wash or carbon coats, and catalytic metals, to develop a catalytic regeneration method for a deactivated monolithic catalyst, to measure kinetics of both direct oxidation of H{sub 2}S to elemental sulfur with SO{sub 2} as an oxidizer and formation of COS in the presence of a simulated coal gas mixture containing H{sub 2}, CO, CO{sub 2}, and moisture, using a monolithic catalyst reactor, and to develop kinetic rate equations and model the direct oxidation process to assist in the design of large-scale plants. This heterogeneous catalytic reaction has gaseous reactants such as H{sub 2}S and SO{sub 2}. However, this heterogeneous catalytic reaction has heterogeneous products such as liquid elemental sulfur and steam. Experiments on conversion of hydrogen sulfide into elemental sulfur and formation of COS were carried out for the space time range of 130-156 seconds at 120-140 C to formulate catalysts suitable for the removal of H{sub 2}S and COS from coal gases, evaluate removal capabilities of hydrogen sulfide and COS from coal gases with formulated catalysts, and develop an economic regeneration method of deactivated catalysts. Simulated coal gas mixtures consist of 3,300-3,800-ppmv hydrogen sulfide, 1,600-1,900 ppmv sulfur dioxide, 18-21 v% hydrogen, 29-34 v% CO, 8-10 v% CO{sub 2}, 5-18 vol % moisture, and nitrogen as remainder. Volumetric feed rates of a simulated coal gas mixture to the reactor are 114-132 SCCM. The temperature of the reactor is controlled in an oven at 120-140 C. The pressure of the reactor is maintained

  11. Conversion of Hydrogen Sulfide in Coal Gases to Liquid Elemental Sulfur with Monolithic Catalysts

    SciTech Connect (OSTI)

    K.C. Kwon

    2009-09-30

    of syngas appear to behave as inert with respect to sulfur formed at the SSRP conditions. One problem in the SSRP process that needs to be eliminated or minimized is COS formation that may occur due to reaction of CO with sulfur formed from the Claus reaction. The objectives of this research are to formulate monolithic catalysts for removal of H{sub 2}S from coal gases and minimum formation of COS with monolithic catalyst supports, {gamma}-alumina wash coat, and catalytic metals, to develop a regeneration method for a deactivated monolithic catalyst, to measure kinetics of both direct oxidation of H{sub 2}S to elemental sulfur with SO{sub 2} as an oxidizer and formation of COS in the presence of a simulated coal gas mixture containing H{sub 2}, CO, CO{sub 2}, and moisture, using a monolithic catalyst reactor. The task of developing kinetic rate equations and modeling the direct oxidation process to assist in the design of large-scale plants will be abandoned since formulation of catalysts suitable for the removal of H{sub 2}S and COS is being in progress. This heterogeneous catalytic reaction has gaseous reactants such as H{sub 2}S and SO{sub 2}. However, this heterogeneous catalytic reaction has heterogeneous products such as liquid elemental sulfur and steam. Experiments on conversion of hydrogen sulfide into elemental sulfur and formation of COS were carried out for the space time range of 46-570 seconds under reaction conditions to formulate catalysts suitable for the removal of H{sub 2}S and COS from coal gases and evaluate their capabilities in reducing hydrogen sulfide and COS in coal gases. Simulated coal gas mixtures consist of 3,200-4,000-ppmv hydrogen sulfide, 1,600-20,000-ppmv sulfur dioxide, 18-27 v% hydrogen, 29-41 v% CO, 8-12 v% CO{sub 2}, 0-10 vol % moisture, and nitrogen as remainder. Volumetric feed rates of simulated coal gas mixtures to the reactor are 30 - 180 cm{sup 3}/min at 1 atm and 25 C (SCCM). The temperature of the reactor is controlled in

  12. Conversion of Hydrogen Sulfide in Coal Gases to Liquid Elemental Sulfur with Monolithic Catalysts

    SciTech Connect (OSTI)

    K. C. Kwon

    2006-09-30

    syngas appear to behave as inert with respect to sulfur formed at the SSRP conditions. One problem in the SSRP process that needs to be eliminated or minimized is COS formation that may occur due to reaction of CO with sulfur formed from the Claus reaction. The objectives of this research are to formulate monolithic catalysts for removal of H{sub 2}S from coal gases and minimum formation of COS with monolithic catalyst supports, {gamma}-alumina wash or carbon coats, and catalytic metals, to develop a catalytic regeneration method for a deactivated monolithic catalyst, to measure kinetics of both direct oxidation of H{sub 2}S to elemental sulfur with SO{sub 2} as an oxidizer and formation of COS in the presence of a simulated coal gas mixture containing H{sub 2}, CO, CO{sub 2}, and moisture, using a monolithic catalyst reactor, and to develop kinetic rate equations and model the direct oxidation process to assist in the design of large-scale plants. This heterogeneous catalytic reaction has gaseous reactants such as H{sub 2}S and SO{sub 2}. However, this heterogeneous catalytic reaction has heterogeneous products such as liquid elemental sulfur and steam. To achieve the above-mentioned objectives using a monolithic catalyst reactor, experiments on conversion of hydrogen sulfide into elemental sulfur and formation of COS were carried out for the space time range of 40-560 seconds at 120-150 C to evaluate effects of reaction temperatures, total pressure, space time, and catalyst regeneration on conversion of hydrogen sulfide into elemental sulfur and formation of COS. Simulated coal gas mixtures consist of 3,600-4,000-ppmv hydrogen sulfide, 1,800-2,000 ppmv sulfur dioxide, 23-27 v% hydrogen, 36-41 v% CO, 10-12 v% CO{sub 2}, 0-10 vol % moisture, and nitrogen as remainder. Volumetric feed rates of a simulated coal gas mixture to the reactor are 30-180 SCCM. The temperature of the reactor is controlled in an oven at 120-150 C. The pressure of the reactor is maintained at 40

  13. Neutron scattering of residual hydrogen in 1,4-dioxane d8 liquid: Understanding measurements with molecular dynamics simulations

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

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

    2016-06-08

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

  14. Alternative Fuels Data Center: Methanol

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

    Methanol to someone by E-mail Share Alternative Fuels Data Center: Methanol on Facebook Tweet about Alternative Fuels Data Center: Methanol on Twitter Bookmark Alternative Fuels Data Center: Methanol on Google Bookmark Alternative Fuels Data Center: Methanol on Delicious Rank Alternative Fuels Data Center: Methanol on Digg Find More places to share Alternative Fuels Data Center: Methanol on AddThis.com... More in this section... Biobutanol Dimethyl Ether Methanol Renewable Hydrocarbon Biofuels

  15. Hydrogen bond dynamics in bulk alcohols

    SciTech Connect (OSTI)

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

    2015-06-07

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

  16. Process for producing high purity silicon nitride by the direct reaction between elemental silicon and nitrogen-hydrogen liquid reactants

    DOE Patents [OSTI]

    Pugar, Eloise A.; Morgan, Peter E. D.

    1990-01-01

    A process is disclosed for producing, at a low temperature, a high purity reaction product consisting essentially of silicon, nitrogen, and hydrogen which can then be heated to produce a high purity alpha silicon nitride. The process comprises: reacting together a particulate elemental high purity silicon with a high purity nitrogen-hydrogen reactant in its liquid state (such as ammonia or hydrazine) having the formula: N.sub.n H.sub.(n+m) wherein: n=1-4 and m=2 when the nitrogen-hydrogen reactant is straight chain, and 0 when the nitrogen-hydrogen reactant is cyclic. High purity silicon nitride can be formed from this intermediate product by heating the intermediate product at a temperature of from about 1200.degree.-1700.degree. C. for a period from about 15 minutes up to about 2 hours to form a high purity alpha silicon nitride product. The discovery of the existence of a soluble Si-N-H intermediate enables chemical pathways to be explored previously unavailable in conventional solid state approaches to silicon-nitrogen ceramics.

  17. Process for producing high purity silicon nitride by the direct reaction between elemental silicon and nitrogen-hydrogen liquid reactants

    DOE Patents [OSTI]

    Pugar, E.A.; Morgan, P.E.D.

    1987-09-15

    A process is disclosed for producing, at a low temperature, a high purity reaction product consisting essentially of silicon, nitrogen, and hydrogen which can then be heated to produce a high purity alpha silicon nitride. The process comprises: reacting together a particulate elemental high purity silicon with a high purity nitrogen-hydrogen reactant in its liquid state (such as ammonia or hydrazine) having the formula: N/sub n/H/sub (n+m)/ wherein: n = 1--4 and m = 2 when the nitrogen-hydrogen reactant is straight chain, and 0 when the nitrogen-hydrogen reactant is cyclic. High purity silicon nitride can be formed from this intermediate product by heating the intermediate product at a temperature of from about 1200--1700/degree/C for a period from about 15 minutes up to about 2 hours to form a high purity alpha silicon nitride product. The discovery of the existence of a soluble Si/endash/N/endash/H intermediate enables chemical pathways to be explored previously unavailable in conventional solid-state approaches to silicon-nitrogen ceramics

  18. Activation of catalysts for synthesizing methanol from synthesis gas

    DOE Patents [OSTI]

    Blum, David B.; Gelbein, Abraham P.

    1985-01-01

    A method for activating a methanol synthesis catalyst is disclosed. In this method, the catalyst is slurried in an inert liquid and is activated by a reducing gas stream. The activation step occurs in-situ. That is, it is conducted in the same reactor as is the subsequent step of synthesizing methanol from a methanol gas stream catalyzed by the activated catalyst still dispersed in a slurry.

  19. Influence of grain boundary phosphorus concentration on liquid metal and hydrogen embrittlement of Monel 400

    SciTech Connect (OSTI)

    Funkenbusch, A.W.; Heldt, L.A.; Stein, D.F.

    1982-04-01

    Susceptibility to embrittlement by mercury and hydrogen was measured as affected by thermal treatment. Specimens were annealed at 900/degree/C and either quenched or furnace cooled. Fractures in air were ductile, and not affected by thermal treatment. Fractures of mercury-coated and hydrogen-charged samples were brittle and intergranular; elongation to fracture increased with increasing concentration of grain boundary phosphorus. 45 refs.

  20. Hydrocarbons from methanol

    SciTech Connect (OSTI)

    Chang, C.D.

    1983-01-01

    During the early 1970s, the conversion of methanol to hydrocarbons emerged as a viable industrial process due to two events: the discovery by workers at Mobil Oil Company of the selective catalytic conversion of methanol to high octane gasoline over zeolite catalysts and the 1973 Arab oil embargo. This survey attempts to comprehensively cover the journal literature and selectively cover the patent literature dealing with the theoretical aspects of the methanol conversion. 178 references. (BLM)

  1. Electrolytic synthesis of methanol from CO.sub.2

    DOE Patents [OSTI]

    Steinberg, Meyer

    1976-01-01

    A method and system for synthesizing methanol from the CO.sub.2 in air using electric power. The CO.sub.2 is absorbed by a solution of KOH to form K.sub.2 CO.sub.3 which is electrolyzed to produce methanol, a liquid hydrocarbon fuel.

  2. CO2 hydrogenation to formate and methanol as an alternative to photo- and electrochemical CO2 reduction

    SciTech Connect (OSTI)

    Wang, Wan -Hui; Himeda, Yuichiro; Muckerman, James T.; Manbeck, Gerald F.; Fujita, Etsuko

    2015-09-03

    In this study, carbon dioxide is one of the end products of combustion, and is not a benign component of the atmosphere. The concentration of CO2 in the atmosphere has reached unprecedented levels and continues to increase owing to an escalating rate of fossil fuel combustion, causing concern about climate change and rising sea levels. In view of the inevitable depletion of fossil fuels, a possible solution to this problem is the recycling of carbon dioxide, possibly captured at its point of generation, to fuels. Researchers in this field are using solar energy for CO2 activation and utilization in several ways: (i) so-called artificial photosynthesis using photo-induced electrons; (ii) bulk electrolysis of a CO2 saturated solution using electricity produced by photovoltaics; (iii) CO2 hydrogenation using solar-produced H2; and (iv) the thermochemical reaction of metal oxides at extremely high temperature reached by solar collectors. Since the thermodynamics of CO2 at high temperature (> 1000 ÂşC) are quite different from those near room temperature, only chemistry below 200 ÂşC is discussed in this review.

  3. CO2 hydrogenation to formate and methanol as an alternative to photo- and electrochemical CO2 reduction

    SciTech Connect (OSTI)

    Wang, Wan -Hui; Himeda, Yuichiro; Muckerman, James T.; Manbeck, Gerald F.; Fujita, Etsuko

    2015-09-03

    In this study, carbon dioxide is one of the end products of combustion, and is not a benign component of the atmosphere. The concentration of CO2 in the atmosphere has reached unprecedented levels and continues to increase owing to an escalating rate of fossil fuel combustion, causing concern about climate change and rising sea levels. In view of the inevitable depletion of fossil fuels, a possible solution to this problem is the recycling of carbon dioxide, possibly captured at its point of generation, to fuels. Researchers in this field are using solar energy for CO2 activation and utilization in several ways: (i) so-called artificial photosynthesis using photo-induced electrons; (ii) bulk electrolysis of a CO2 saturated solution using electricity produced by photovoltaics; (iii) CO2 hydrogenation using solar-produced H2; and (iv) the thermochemical reaction of metal oxides at extremely high temperature reached by solar collectors. Since the thermodynamics of CO2 at high temperature (> 1000 şC) are quite different from those near room temperature, only chemistry below 200 şC is discussed in this review.

  4. The Methanol Economy Project

    SciTech Connect (OSTI)

    Olah, George; Prakash, G. K.

    2014-02-01

    The Methanol Economy Project is based on the concept of replacing fossil fuels with methanol generated either from renewable resources or abundant natural (shale) gas. The full methanol cycle was investigated in this project, from production of methanol through bromination of methane, bireforming of methane to syngas, CO2 capture using supported amines, co-electrolysis of CO2 and water to formate and syngas, decomposition of formate to CO2 and H2, and use of formic acid in a direct formic acid fuel cell. Each of these projects achieved milestones and provided new insights into their respective fields.

  5. Hydrogenation apparatus

    DOE Patents [OSTI]

    Friedman, Joseph [Encino, CA; Oberg, Carl L [Canoga Park, CA; Russell, Larry H [Agoura, CA

    1981-01-01

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

  6. PEM fuel cell stack performance using dilute hydrogen mixture. Implications on electrochemical engine system performance and design

    SciTech Connect (OSTI)

    Inbody, M.A.; Vanderborgh, N.E.; Hedstrom, J.C.; Tafoya, J.I.

    1996-12-31

    Onboard fuel processing to generate a hydrogen-rich fuel for PEM fuel cells is being considered as an alternative to stored hydrogen fuel for transportation applications. If successful, this approach, contrasted to operating with onboard hydrogen, utilizes the existing fuels infrastructure and provides required vehicle range. One attractive, commercial liquid fuels option is steam reforming of methanol. However, expanding the liquid methanol infrastructure will take both time and capital. Consequently technology is also being developed to utilize existing transportation fuels, such as gasoline or diesel, to power PEM fuel cell systems. Steam reforming of methanol generates a mixture with a dry gas composition of 75% hydrogen and 25% carbon dioxide. Steam reforming, autothermal reforming, and partial oxidation reforming of C{sub 2} and larger hydrocarbons produces a mixture with a more dilute hydrogen concentration (65%-40%) along with carbon dioxide ({approx}20%) and nitrogen ({approx}10%-40%). Performance of PEM fuel cell stacks on these dilute hydrogen mixtures will affect the overall electrochemical engine system design as well as the overall efficiency. The Los Alamos Fuel Cell Stack Test facility was used to access the performance of a PEM Fuel cell stack over the range of gas compositions chosen to replicate anode feeds from various fuel processing options for hydrocarbon and alcohol fuels. The focus of the experiments was on the anode performance with dilute hydrogen mixtures with carbon dioxide and nitrogen diluents. Performance with other anode feed contaminants, such as carbon monoxide, are not reported here.

  7. Thermally integrated staged methanol reformer and method

    SciTech Connect (OSTI)

    Skala, Glenn William; Hart-Predmore, David James; Pettit, William Henry; Borup, Rodney Lynn

    2001-01-01

    A thermally integrated two-stage methanol reformer including a heat exchanger and first and second reactors colocated in a common housing in which a gaseous heat transfer medium circulates to carry heat from the heat exchanger into the reactors. The heat transfer medium comprises principally hydrogen, carbon dioxide, methanol vapor and water vapor formed in a first stage reforming reaction. A small portion of the circulating heat transfer medium is drawn off and reacted in a second stage reforming reaction which substantially completes the reaction of the methanol and water remaining in the drawn-off portion. Preferably, a PrOx reactor will be included in the housing upstream of the heat exchanger to supplement the heat provided by the heat exchanger.

  8. Reforming of Liquid Hydrocarbons in a Novel Hydrogen-Selective Membrane-Based Fuel Processor

    SciTech Connect (OSTI)

    Shamsuddin Ilias

    2006-03-10

    In this work, asymmetric dense Pd/porous stainless steel composite membranes were fabricated by depositing palladium on the outer surface of the tubular support. The electroless plating method combined with an osmotic pressure field was used to deposit the palladium film. Surface morphology and microstructure of the composite membranes were characterized by SEM and EDX. The SEM and EDX analyses revealed strong adhesion of the plated pure palladium film on the substrate and dense coalescence of the Pd film. Membranes were further characterized by conducting permeability experiments with pure hydrogen, nitrogen, and helium gases at temperatures from 325 to 450 C and transmembrane pressure differences from 5 to 45 psi. The permeation results showed that the fabricated membranes have both high hydrogen permeability and selectivity. For example, the hydrogen permeability for a composite membrane with a 20 {micro}m Pd film was 3.02 x 10{sup -5} moles/m{sup 2}.s.Pa{sup 0.765} at 450 C. Hydrogen/nitrogen selectivity for this composite membrane was 1000 at 450 C with a transmembrane pressure difference of 14.7 psi. Steam reforming of methane is one of the most important chemical processes in hydrogen and syngas production. To investigate the usefulness of palladium-based composite membranes in membrane-reactor configuration for simultaneous production and separation of hydrogen, steam reforming of methane by equilibrium shift was studied. The steam reforming of methane using a packed-bed inert membrane tubular reactor (PBIMTR) was simulated. A two-dimensional pseudo-homogeneous reactor model with parallel flow configuration was developed for steam reforming of methane. The shell volume was taken as the feed and sweep gas was fed to the inside of the membrane tube. Radial diffusion was taken into account for concentration gradient in the radial direction due to hydrogen permeation through the membrane. With appropriate reaction rate expressions, a set of partial differential

  9. Mechanochemical hydrogenation of coal

    DOE Patents [OSTI]

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

    1981-01-01

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

  10. Advanced hydrogen utilization technology demonstration

    SciTech Connect (OSTI)

    Hedrick, J.C.; Winsor, R.E.

    1994-06-01

    This report presents the results of a study done by Detroit Diesel Corporation (DDC). DDC used a 6V-92TA engine for experiments with hydrogen fuel. The engine was first baseline tested using methanol fuel and methanol unit injectors. One cylinder of the engine was converted to operate on hydrogen fuel, and methanol fueled the remaining five cylinders. This early testing with only one hydrogen-fueled cylinder was conducted to determine the operating parameters that would later be implemented for multicylinder hydrogen operation. Researchers then operated three cylinders of the engine on hydrogen fuel to verify single-cylinder idle tests. Once it was determined that the engine would operate well at idle, the engine was modified to operate with all six cylinders fueled with hydrogen. Six-cylinder operation on hydrogen provided an opportunity to verify previous test results and to more accurately determine the performance, thermal efficiency, and emissions of the engine.

  11. Method of extracting iodine from liquid mixtures of iodine, water and hydrogen iodide

    DOE Patents [OSTI]

    Mysels, Karol J.

    1979-01-01

    The components of a liquid mixture consisting essentially of HI, water and at least about 50 w/o iodine are separated in a countercurrent extraction zone by treating with phosphoric acid containing at least about 90 w/o H.sub.3 PO.sub.4. The bottom stream from the extraction zone is substantially completely molten iodine, and the overhead stream contains water, HI, H.sub.3 PO.sub.4 and a small fraction of the amount of original iodine. When the water and HI are present in near-azeotropic proportions, there is particular advantage in feeding the overhead stream to an extractive distillation zone wherein it is treated with additional concentrated phosphoric acid to create an anhydrous HI vapor stream and bottoms which contain at least about 85 w/o H.sub.3 PO.sub.4. Concentration of these bottoms provides phosphoric acid infeed for both the countercurrent extraction zone and for the extractive distillation zone.

  12. Discovery of methanol electro-oxidation catalysts by combinatorial analysis

    SciTech Connect (OSTI)

    Mallouk, T.E.; Reddington, E.; Pu, C.

    1996-12-31

    Hydrogen fuel cells are likely to become a major energy source in the next century, but they are not ideal for all applications. A safe alternative fuel with a high energy density will be necessary for transportation and mobile applications. Direct methanol-air fuel cells (DMFCs) are an attractive alternative to hydrogen fuel cells because of the high energy density and low cost of methanol as a fuel. However, in order for DMFCs to become commercially viable, better electrocatalysts for the anode reaction need to be developed. This paper describes a combinatorial technique for generating an array of electrodes with varying metal compositions.

  13. Adsorptive removal of catalyst poisons from coal gas for methanol synthesis

    SciTech Connect (OSTI)

    Bhatt, B.L.; Golden, T.C.; Hsiung, T.H. (Air Products and Chemicals, Inc., Allentown, PA (United States))

    1991-12-01

    As an integral part of the liquid-phase methanol (LPMEOH) process development program, the present study evaluated adsorptive schemes to remove traces of catalyst poisons such as iron carbonyl, carbonyl sulfide, and hydrogen sulfide from coal gas on a pilot scale. Tests were conducted with coal gas from the Cool Water gasification plant at Daggett, California. Iron carbonyl, carbonyl sulfide, and hydrogen sulfide were effectively removed from the coal gas. The adsorption capacities of Linde H-Y zeolite and Calgon BPL carbon for Fe(CO){sub 5} compared well with previous bench-scale results at similar CO{sub 2} partial pressure. Adsorption of COS by Calgon FCA carbon appeared to be chemical and nonregenerable by thermal treatment in nitrogen. A Cu/Zn catalyst removed H{sub 2}S very effectively. With the adsorption system on-line, a methanol catalyst showed stable activity during 120 h operation, demonstrating the feasibility of adsorptive removal of trace catalyst poisons from the synthesis gas. Mass transfer coefficients were estimated for Fe(CO){sub 5} and COS removal which can be directly used for design and scale up.

  14. Application of a New Ensemble Conserving Quantum Dynamics Simulation Algorithm to Liquid para-Hydrogen and ortho-Deuterium

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

    Smith, Kyle K.G.; Poulsen, Jens Aage; Nyman, Gunnar; Cunsolo, Alessandro; Rossky, Peter J.

    2015-06-30

    Here, we apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm-3) and (T = 23.0 K, n = 24.61 nm-3), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. Moreover, this shows that FK-QCWmore » provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.« less

  15. Chemistry and catalysis of coal liquefaction catalytic and thermal upgrading of coal liquid and hydrogenation of CO to produce fuels. Quarterly progress report, July-September 1980

    SciTech Connect (OSTI)

    Wiser, W.H.

    1981-02-01

    Studies on the basic properties of supported sulfide catalysts showed that different supports have a profound influence on catalytic activities of CoMo catalysts. The three functions of hydrodesulfurization, hydrogenation and cracking were differently affected depending on the support used and the manner of preparation of the catalyst. Also, incorporation of additives to the support showed that the different catalytic functions can be selectively affected. A systematic study concerned with catalytic cracking of coal-derived liquids, viz., an SRC-II middle-heavy distillate and four hydrotreated SRC-II products was carried out in the range of 375 to 500/sup 0/C (LHSV, 0.2 to 3.9 h/sup -1/). Hydrotreatment, even to a limited extent, results in a remarkable improvement in the yield of gasoline-range products from the SRC-II distillate. This improvement is ascribed to: (a) hydrogenolysis reactions leading to lower molecular weight feedstock components and (b) limited hydrogenation of aromatic rings leading to polycyclic feed components with sufficient concentration of hydroaromatic rings needed for effective cracking. The results with model compounds and the data on hydrogen consumption during hydrotreatment of SRC-II liquids indicate that for tricyclic, tetracyclic, and pentacyclic coal-liquid components the optimal concentration of hydroaromatic rings for effective subsequent cracking is at least two rings per molecule.

  16. The Development of Methanol Industry and Methanol Fuel in China

    SciTech Connect (OSTI)

    Li, W.Y.; Li, Z.; Xie, K.C.

    2009-07-01

    In 2007, China firmly established itself as the driver of the global methanol industry. The country became the world's largest methanol producer and consumer. The development of the methanol industry and methanol fuel in China is reviewed in this article. China is rich in coal but is short on oil and natural gas; unfortunately, transportation development will need more and more oil to provide the fuel. Methanol is becoming a dominant alternative fuel. China is showing the rest of the world how cleaner transportation fuels can be made from coal.

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

    DOE Patents [OSTI]

    Hindin, Saul G.; Roberts, George W.

    1980-08-12

    A process for exchanging isotopes of hydrogen, particularly tritium, between gaseous hydrogen and water is provided whereby gaseous hydrogen depeleted in tritium and liquid or gaseous water containing tritium are reacted in the presence of a metallic catalyst.

  18. Hydrogenation apparatus

    DOE Patents [OSTI]

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

    1981-06-23

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

  19. Methanol-fueled transit bus demonstration

    SciTech Connect (OSTI)

    Jackson, M.D.; Fong, D.W.; Powars, C.A.; Smith, K.D.

    1983-01-01

    This paper summarizes the results of a California study to investigate the technical, environmental, and economic viability of using coal-derived fuels for transportation. Since nearly all of California's major urban areas have pollution problems, emphasis is placed on those options which are capable of achieving low exhaust emissions. A broad range of fuels are considered, including solids, gases, and liquids. Methanol, used in heavy-duty engines designed for this fuel, meets California's environmental, economic, and technical requirements for clean coal fuels. The combination has lower exhaust emissions than conventional Diesels -- smoke is eliminated and NO/SUB x/ and CO emissions are reduced. Further, thermal efficiencies comparable or exceeding conventional Diesels are possible. A demonstration of this new technology is now underway. Transit buses will be purchased with the objective of demonstrating alternative methanol engine designs. Economic viability in transit operations will be established.

  20. Analysis Models and Tools: Systems Analysis of Hydrogen and Fuel...

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

    Fuel cells can efficiently produce electricity from a number of domestic fuels, including bio-gas, natural gas, propane, methanol, diesel, and hydrogen. Compared with traditional ...

  1. Hydrogen Strategic Focus for Hawaii

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

    Hydrogen storage is a significant challenge for the development and viability of hydrogen-powered vehicles. On-board hydrogen storage in the range of approximately 5-13 kg is required to enable a driving range of greater than 300 miles for the full platform of light-duty automotive vehicles using fuel cell power plants. Hydrogen Storage Technologies Current on-board hydrogen storage approaches involve compressed hydrogen gas tanks, liquid hydrogen tanks, cryogenic compressed hydrogen, metal

  2. Single-Step Syngas-to-Distillates (S2D) Synthesis via Methanol and Dimethyl Ether Intermediates: Final Report

    SciTech Connect (OSTI)

    Dagle, Robert A.; Lebarbier, Vanessa MC; Lizarazo Adarme, Jair A.; King, David L.; Zhu, Yunhua; Gray, Michel J.; Jones, Susanne B.; Biddy, Mary J.; Hallen, Richard T.; Wang, Yong; White, James F.; Holladay, Johnathan E.; Palo, Daniel R.

    2013-11-26

    The objective of the work was to enhance price-competitive, synthesis gas (syngas)-based production of transportation fuels that are directly compatible with the existing vehicle fleet (i.e., vehicles fueled by gasoline, diesel, jet fuel, etc.). To accomplish this, modifications to the traditional methanol-to-gasoline (MTG) process were investigated. In this study, we investigated direct conversion of syngas to distillates using methanol and dimethyl ether intermediates. For this application, a Pd/ZnO/Al2O3 (PdZnAl) catalyst previously developed for methanol steam reforming was evaluated. The PdZnAl catalyst was shown to be far superior to a conventional copper-based methanol catalyst when operated at relatively high temperatures (i.e., >300°C), which is necessary for MTG-type applications. Catalytic performance was evaluated through parametric studies. Process conditions such as temperature, pressure, gas-hour-space velocity, and syngas feed ratio (i.e., hydrogen:carbon monoxide) were investigated. PdZnAl catalyst formulation also was optimized to maximize conversion and selectivity to methanol and dimethyl ether while suppressing methane formation. Thus, a PdZn/Al2O3 catalyst optimized for methanol and dimethyl ether formation was developed through combined catalytic material and process parameter exploration. However, even after compositional optimization, a significant amount of undesirable carbon dioxide was produced (formed via the water-gas-shift reaction), and some degree of methane formation could not be completely avoided. Pd/ZnO/Al2O3 used in combination with ZSM-5 was investigated for direct syngas-to-distillates conversion. High conversion was achieved as thermodynamic constraints are alleviated when methanol and dimethyl are intermediates for hydrocarbon formation. When methanol and/or dimethyl ether are products formed separately, equilibrium restrictions occur. Thermodynamic relaxation also enables the use of lower operating pressures than what

  3. Removal of sulfur contaminants in methanol for fuel cell applications

    SciTech Connect (OSTI)

    Lee, S.H.D.; Kumar, R.; Sederquist, R.

    1996-12-31

    Fuel cell power plants are being developed for transit bus and passenger car applications that use methanol as the on-board fuel. Commodity methanol by itself contains very little sulfur; however, it may occasionally be contaminated with up to about 1% diesel fuel or gasoline in current liquid-fuel distribution systems, leading to the presence of sulfur in the methanol fuel. This sulfur must be removed because of its deleterious effect on the reforming catalysts. International Fuel Cells has set the allowable sulfur limit in the methanol fuel at less than 1 ppm. The equilibrium adsorption isotherm and breakthrough data were used to assess the feasibility of developing a granular activated carbon adsorber for the removal of sulfur from transportation fuel cell systems.

  4. Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation

    SciTech Connect (OSTI)

    Smith, Kyle K. G. Rossky, Peter J.; Poulsen, Jens Aage; Cunsolo, A.

    2014-01-21

    The dynamic structure factor of liquid para-hydrogen and ortho-deuterium in corresponding thermodynamic states (T = 20.0?K, n = 21.24?nm{sup ?3}) and (T = 23.0?K, n = 24.61?nm{sup ?3}), respectively, has been computed by both the Feynman-Kleinert linearized path-integral (FK-LPI) and Ring-Polymer Molecular Dynamics (RPMD) methods and compared with Inelastic X Ray Scattering spectra. The combined use of computational and experimental methods enabled us to reduce experimental uncertainties in the determination of the true sample spectrum. Furthermore, the refined experimental spectrum of para-hydrogen and ortho-deuterium is consistently reproduced by both FK-LPI and RPMD results at momentum transfers lower than 12.8?nm{sup ?1}. At larger momentum transfers the FK-LPI results agree with experiment much better for ortho-deuterium than for para-hydrogen. More specifically we found that for k ? 20.0 nm{sup ?1} para-hydrogen provides a test case for improved approximations to quantum dynamics.

  5. 'Grand Challenge' for Basic and Applied Research in Hydrogen...

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

    the following areas: New materials or technologies for hydrogen storage; Compressed and liquid hydrogen tank technologies; and Off-board hydrogen storage systems. Category 2 is...

  6. First calibration measurements of an FTIR absorption spectroscopy system for liquid hydrogen isotopologues for the isotope separation system of fusion power plants

    SciTech Connect (OSTI)

    Groessle, R.; Beck, A.; Bornschein, B.; Fischer, S.; Kraus, A.; Mirz, S.; Rupp, S.

    2015-03-15

    Fusion facilities like ITER and DEMO will circulate huge amounts of deuterium and tritium in their fuel cycle with an estimated throughput of kg per hour. One important capability of these fuel cycles is to separate the hydrogen isotopologues (H{sub 2}, D{sub 2}, T{sub 2}, HD, HT, DT). For this purpose the Isotope Separation System (ISS), using cryogenic distillation, as part of the Tritium Enrichment Test Assembly (TRENTA) is under development at Tritium Laboratory Karlsruhe. Fourier transform infrared absorption spectroscopy (FTIR) has been selected to prove its capability for online monitoring of the tritium concentration in the liquid phase at the bottom of the distillation column of the ISS. The actual research-development work is focusing on the calibration of such a system. Two major issues are the identification of appropriate absorption lines and their dependence on the isotopic concentrations and composition. For this purpose the Tritium Absorption IR spectroscopy experiment has been set up as an extension of TRENTA. For calibration a Raman spectroscopy system is used. First measurements, with equilibrated mixtures of H{sub 2}, D{sub 2} and HD demonstrate that FTIR can be used for quantitative analysis of liquid hydro-gen isotopologues and reveal a nonlinear dependence of the integrated absorbance from the D{sub 2} concentration in the second vibrational branch of D{sub 2} FTIR spectra. (authors)

  7. Hydrogen, Fuel Cells and Infrastructure Technologies Program...

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

    Panel at the U.S. Department of Energy Hydrogen, Fuel Cells and Infrastructure ... More Documents & Publications Bio-Derived Liquids to Hydrogen Distributed Reforming ...

  8. Intercooling effects of methanol on turbocharged diesel engine performance and exhaust emissions

    SciTech Connect (OSTI)

    Saito, T.; Daisho, Y.; Aoki, Y.; Kawase, N.

    1984-01-01

    From the viewpoint of utilizing methanol fuel in an automotive turbocharged direct-injection diesel engine, an intercooling system supplying liquid methanol has been devised and its effects on engine performance and exhaust gas emissions have been investigated. With an electronically controlled injector in this system, methanol as a supplementary fuel to diesel fuel can be injected into the intake pipe in order to intercool a hot air charge compressed by the turbocharger. It has been confirmed that especially at heavy load conditions, methanol-intercooling can yield a higher thermal efficiency, and lower nox and smoke emissions simultaneously, compared with three other cases without using methanol: natural aspiration and the cases with and without an ordinary intercooler. However, methanol fueling must be avoided at lower loads since sacrifices in efficiency and hydrocarbon emissions are involved.

  9. New clean fuel from coal -- Direct dimethyl ether synthesis from hydrogen and carbon monoxide

    SciTech Connect (OSTI)

    Ogawa, T.; Ono, M.; Mizuguchi, M.; Tomura, K.; Shikada, T.; Ohono, Y.; Fujimoto, K.

    1997-12-31

    Dimethyl ether (DME), which has similar physical properties to propane and is easily liquefied at low pressure, has a significant possibility as a clean and non-toxic fuel from coal or coal bed methane. Equilibrium calculation also shows a big advantage of high carbon monoxide conversion of DME synthesis compared to methanol synthesis. By using a 50 kg/day DME bench scale test plant, direct synthesis of DME from hydrogen and carbon monoxide has been studied with newly developed catalysts which are very fine particles. This test plant features a high pressure three-phase slurry reactor and low temperature DME separator. DME is synthesized at temperatures around 533--553 K and at pressures around 3--5 MPa. According to the reaction stoichiometry, the same amount of hydrogen and carbon monoxide react to DME and carbon dioxide. Carbon conversion to DME is one third and the rest of carbon is converted to carbon dioxide. As a result of the experiments, make-up CO conversion is 35--50% on an once-through basis, which is extremely high compared to that of methanol synthesis from hydrogen and carbon monoxide. DME selectivity is around 60 c-mol %. Most of the by-product is CO{sub 2} with a small amount of methanol and water. No heavy by-products have been recognized. Effluent from the reactor is finally cooled to 233--253 K in a DME separator and liquid DME is recovered as a product.

  10. Molecular catalytic hydrogenation of aromatic hydrocarbons and

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

    and hydrotreating of coal liquids. Citation Details In-Document Search Title: Molecular catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids. ...

  12. Questions and Issues on Hydrogen Pipelines: Pipeline Transmission of Hydrogen

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

    Issues on Hydrogen Pipelines Pipeline Transmission of Hydrogen Doe Hydrogen Pipeline Working Group Meeting August 31, 2005 Pipeline Transmission of Hydrogen --- 2 Copyright: Air Liquide Pipeline Inventory Breakdown by gases 0 500 1000 1500 2000 2500 3000 3500 KM N2 2956 km O2 3447 km H2 1736 km CO/Syngas 61 km TOTAL 8200 km Pipeline Inventory 2004 Asie Pacific America Europe Pipeline Transmission of Hydrogen --- 3 Copyright: Pipeline Transmission of Hydrogen --- 4 Copyright: 3. Special

  13. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.; Mahajan, D.

    1986-09-30

    A catalyst and process useful at low temperatures (below about 160 C) and preferably in the range 80--120 C used in the production of methanol from carbon monoxide and hydrogen are disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH--RONa-M(OAc)[sub 2] where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1--6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is Nic (where M = Ni and R = tertiary amyl). Mo(CO)[sub 6] is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  14. Low temperature catalyst system for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.

    1984-04-20

    This patent discloses a catalyst and process useful at low temperatures (150/sup 0/C) and preferably in the range 80 to 120/sup 0/C used in the production of methanol from carbon monoxide and hydrogen. The catalyst components are used in slurry form and comprise (1) a complex reducing agent derived from the component structure NaH-ROH-M(OAc)/sub 2/ where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1 to 6 carbon atoms and (2) a metal carbonyl of a group VI (Mo, Cr, W) metal. For the first component, Nic is preferred (where M = Ni and R = tertiary amyl). For the second component, Mo(CO)/sub 6/ is preferred. The mixture is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  15. Mechanistic Studies of Methanol Synthesis over Cu from CO/CO2/H2/H2O Mixtures: the Source of C in Methanol and the Role of Water

    SciTech Connect (OSTI)

    Yang, Yong; Mims, Charles A.; Mei, Donghai; Peden, Charles HF; Campbell, Charles T.

    2013-02-01

    The low temperature (403 – 453K) conversions of CO:hydrogen and CO2:hydrogen mixtures (6 bar total pressure) to methanol over copper catalysts are both assisted by the presence of small amounts of water (mole fraction ~0.04%-0.5%). For CO2:hydrogen reaction mixtures, the water product from both methanol synthesis and reverse water gas shift serves to initiate both reactions in an autocatalytic manner. In the case of CO:D2 mixtures, very little methanol is produced until small amounts of water are added. The effect of water on methanol production is more immediate than in CO2:D2, yet the steady state rates are similar. Tracer experiments in 13CO:12CO2:hydrogen (with or without added water), show that the dominant source of C in the methanol product gradually shifts from CO2 to CO as the temperature is lowered. Cu-bound formate, the major IR visible surface species under CO2:hydrogen, is not visible in CO:moist hydrogen. Though formate is visible in the tracer experiments, the symmetric stretch is absent. These results, in conjunction with recent DFT calculations on Cu(111), point to carboxyl as a common intermediate for both methanol synthesis and reverse water gas shift, with formate playing a spectator co-adsorbate role.

  16. Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

    SciTech Connect (OSTI)

    Huš, Matej; Urbic, Tomaz; Munaň, Gianmarco

    2014-10-28

    Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations. The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.

  17. Uranium hexafluoride liquid thermal expansion, elusive eutectic with hydrogen fluoride, and very first production using chlorine trifluoride

    SciTech Connect (OSTI)

    Rutledge, G.P.

    1991-12-31

    Three unusual incidents and case histories involving uranium hexafluoride in the enrichment facilities of the USA in the late 1940`s and early 1950`s are presented. The history of the measurements of the thermal expansion of liquids containing fluorine atoms within the molecule is reviewed with special emphasis upon uranium hexafluoride. A comparison is made between fluorinated esters, fluorocarbons, and uranium hexafluoride. The quantitative relationship between the thermal expansion coefficient, a, of liquids and the critical temperature, T{sub c} is presented. Uranium hexafluoride has an a that is very high in a temperature range that is used by laboratory and production workers - much higher than any other liquid measured. This physical property of UF{sub 6} has resulted in accidents involving filling the UF{sub 6} containers too full and then heating with a resulting rupture of the container. Such an incident at a uranium gaseous diffusion plant is presented. Production workers seldom {open_quotes}see{close_quotes} uranium hexafluoride. The movement of UF{sub 6} from one container to another is usually trailed by weight, not sight. Even laboratory scientists seldom {open_quotes}see{close_quotes} solid or liquid UF{sub 6} and this can be a problem at times. This inability to {open_quotes}see{close_quotes} the UF{sub 6}-HF mixtures in the 61.2{degrees}C to 101{degrees}C temperature range caused a delay in the understanding of the phase diagram of UF{sub 6}-HF which has a liquid - liquid immiscible region that made the eutectic composition somewhat elusive. Transparent fluorothene tubes solved the problem both for the UF{sub 6}-HF phase diagram as well as the UF{sub 6}-HF-CIF{sub 3} phase diagram with a miscibility gap starting at 53{degrees}C. The historical background leading to the first use of CIF{sub 3} to produce UF{sub 6} in both the laboratory and plant at K-25 is presented.

  18. Electron-Stimulated Reactions and O-2 Production in Methanol-Covered Amorphous Solid Water Films

    SciTech Connect (OSTI)

    Akin, Minta C.; Petrik, Nikolay G.; Kimmel, Gregory A.

    2009-03-14

    The low-energy, electron-stimulated desorption (ESD) of molecular products from amorphous solid water (ASW) films capped with methanol is investigated versus methanol coverage (0 - 4 x 1015 cm-2) at 50 K using 100 eV incident electrons. The major ESD products from a monolayer of methanol on ASW are quite similar to the ESD products from bulk methanol film: H2, CH4, H2O, C2H6, CO, CH2O, and CH3OH. For 40 ML ASW films, the molecular oxygen, hydrogen, and water ESD yields from the ASW are suppressed with increasing methanol coverage, while the CH3OH ESD yield increases proportionally to the methanol coverage. The suppression of the water ESD products by methanol is consistent with the non-thermal reactions occurring preferentially at or near the ASW/vacuum interface and not in the interior of the film. The water and molecular hydrogen ESD yields from the water layer decrease exponentially with the methanol cap coverage with 1/e constants of ~ 0.6 x 1015 cm-2 and 1.6 x 1015 cm-2, respectively. In contrast, the O2 ESD from the water layer is very efficiently quenched by small amounts of methanol (1/e ~ 6.5 x 1013 cm-2). The rapid suppression of O2 production by small amounts of methanol is due to reactions between CH3OH and the precursors for the O2 - mainly OH radicals. A kinetic model for the O2 ESD which semi-quantitatively accounts for the observations is presented.

  19. Novel Hydrogen Carriers | Department of Energy

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

    Hydrogen Delivery » Novel Hydrogen Carriers Novel Hydrogen Carriers Hydrogen carriers store hydrogen in some other chemical state rather than as free hydrogen molecules. Additional research and analyses are underway to investigate novel liquid or solid hydrogen carriers for use in delivery. Carriers are a unique way to deliver hydrogen by hydriding a chemical compound at the site of production and then dehydriding it either at the point of delivery or once it is onboard the fuel cell vehicle.

  20. Hydrogen energy systems studies

    SciTech Connect (OSTI)

    Ogden, J.M.; Steinbugler, M.; Kreutz, T.

    1998-08-01

    In this progress report (covering the period May 1997--May 1998), the authors summarize results from ongoing technical and economic assessments of hydrogen energy systems. Generally, the goal of their research is to illuminate possible pathways leading from present hydrogen markets and technologies toward wide scale use of hydrogen as an energy carrier, highlighting important technologies for RD and D. Over the past year they worked on three projects. From May 1997--November 1997, the authors completed an assessment of hydrogen as a fuel for fuel cell vehicles, as compared to methanol and gasoline. Two other studies were begun in November 1997 and are scheduled for completion in September 1998. The authors are carrying out an assessment of potential supplies and demands for hydrogen energy in the New York City/New Jersey area. The goal of this study is to provide useful data and suggest possible implementation strategies for the New York City/ New Jersey area, as the Hydrogen Program plans demonstrations of hydrogen vehicles and refueling infrastructure. The authors are assessing the implications of CO{sub 2} sequestration for hydrogen energy systems. The goals of this work are (a) to understand the implications of CO{sub 2} sequestration for hydrogen energy system design; (b) to understand the conditions under which CO{sub 2} sequestration might become economically viable; and (c) to understand design issues for future low-CO{sub 2} emitting hydrogen energy systems based on fossil fuels.

  1. Solid evacuated microspheres of hydrogen

    DOE Patents [OSTI]

    Turnbull, Robert J.; Foster, Christopher A.; Hendricks, Charles D.

    1982-01-01

    A method is provided for producing solid, evacuated microspheres comprised of hydrogen. The spheres are produced by forming a jet of liquid hydrogen and exciting mechanical waves on the jet of appropriate frequency so that the jet breaks up into drops with a bubble formed in each drop by cavitation. The drops are exposed to a pressure less than the vapor pressure of the liquid hydrogen so that the bubble which is formed within each drop expands. The drops which contain bubbles are exposed to an environment having a pressure just below the triple point of liquid hydrogen and they thereby freeze giving solid, evacuated spheres of hydrogen.

  2. Engineering Development of Ceramic Membrane Reactor System for Converting Natural Gas to Hydrogen and Synthesis Gas for Liquid Transportation Fuels

    SciTech Connect (OSTI)

    Air Products and Chemicals

    2008-09-30

    An Air Products-led team successfully developed ITM Syngas technology from the concept stage to a stage where a small-scale engineering prototype was about to be built. This technology produces syngas, a gas containing carbon monoxide and hydrogen, by reacting feed gas, primarily methane and steam, with oxygen that is supplied through an ion transport membrane. An ion transport membrane operates at high temperature and oxygen ions are transported through the dense membrane's crystal lattice when an oxygen partial pressure driving force is applied. This development effort solved many significant technical challenges and successfully scaled-up key aspects of the technology to prototype scale. Throughout the project life, the technology showed significant economic benefits over conventional technologies. While there are still on-going technical challenges to overcome, the progress made under the DOE-funded development project proved that the technology was viable and continued development post the DOE agreement would be warranted.

  3. Additive manufacturing of liquid/gas diffusion layers for low-cost and high-efficiency hydrogen production

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

    Mo, Jingke; Zhang, Feng -Yuan; Dehoff, Ryan R.; Peter, William H.; Toops, Todd J.; Green, Jr., Johney Boyd

    2016-01-14

    The electron beam melting (EBM) additive manufacturing technology was used to fabricate titanium liquid/gas diffusion media with high-corrosion resistances and well-controllable multifunctional parameters, including two-phase transport and excellent electric/thermal conductivities, has been first demonstrated. Their applications in proton exchange membrane eletrolyzer cells have been explored in-situ in a cell and characterized ex-situ with SEM and XRD. Compared with the conventional woven liquid/gas diffusion layers (LGDLs), much better performance with EBM fabricated LGDLs is obtained due to their significant reduction of ohmic loss. The EBM technology components exhibited several distinguished advantages in fabricating gas diffusion layer: well-controllable pore morphology and structure,more » rapid prototyping, fast manufacturing, highly customizing and economic. In addition, by taking advantage of additive manufacturing, it possible to fabricate complicated three-dimensional designs of virtually any shape from a digital model into one single solid object faster, cheaper and easier, especially for titanium. More importantly, this development will provide LGDLs with control of pore size, pore shape, pore distribution, and therefore porosity and permeability, which will be very valuable to develop modeling and to validate simulations of electrolyzers with optimal and repeatable performance. Further, it will lead to a manufacturing solution to greatly simplify the PEMEC/fuel cell components and to couple the LGDLs with other parts, since they can be easily integrated together with this advanced manufacturing process« less

  4. Romania program targets methanol and Fischer-Tropsch research

    SciTech Connect (OSTI)

    Not Available

    1987-03-01

    Currently, the chemical organic industry, the petrochemical and engine fuels industry in Romania are entirely based on hydrocarbons from oil. To reduce the oil dependence of this sector and to ensure the stipulated growth rate of 8-9%, research and development programs have been set up with a view to the diversification of raw materials. In research on hydrocarbons from alcohol conversion, three process variants are known, i.e. olefins from methanol, gasolines from methanol and a combined gasolines and aromatic hydrocarbons from methanol. The Romanian process of methanol conversion to hydrocarbons is very flexible, with all the variants mentioned being carried out in the same plant by modifying the catalysts. In research on hydrocarbons from synthesis gas a modern process is being developed for gasification of brown coal in a fluidized bed, under pressure, in the presence of oxygen and water vapors. In the field of carbon oxide hydrogenation, studies have been carried out on selective Fischer-Tropsch processes in which the reaction products are high value hydrocarbon fractions.

  5. Pulse radiolysis studies of solvated electrons in supercritical ethane with methanol as cosolvent.

    SciTech Connect (OSTI)

    Dimitrijevic, N. M.; Takahashi, K.; Bartels, D. M.; Jonah, C. D.; Chemistry

    2001-08-02

    Pulse radiolysis has been used to study the solvated electron in supercritical ethane with methanol as a cosolvent. These measurements give information about the liquid structure of the cosolvent in these systems. The results show that at temperatures below 110 {sup o}C, there are high local concentrations of alcohol molecules (clusters), which are capable of solvating an electron. The agglomeration number of methanol clusters depends on mole fraction of alcohol at a fixed temperature. Addition of salts increases the size of methanol clusters.

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

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Molecular catalytic coal liquid conversion. ... organic base catalysts for arene hydrogenation and the hydrotreating of the coal liquids. ...

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

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Molecular catalytic coal liquid conversion. ... organic base catalysts for arene hydrogenation and the hydrotreating of the coal liquids. ...

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

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Molecular catalytic coal liquid conversion. ... Task 2, organic base-catalyzed arene hydrogenation and hydrotreating of the coal liquids. ...

  9. Cryogenic hydrogen release research.

    SciTech Connect (OSTI)

    LaFleur, Angela Christine

    2015-12-01

    The objective of this project was to devolop a plan for modifying the Turbulent Combustion Laboratory (TCL) with the necessary infrastructure to produce a cold (near liquid temperature) hydrogen jet. The necessary infrastructure has been specified and laboratory modifications are currently underway. Once complete, experiments from this platform will be used to develop and validate models that inform codes and standards which specify protection criteria for unintended releases from liquid hydrogen storage, transport, and delivery infrastructure.

  10. Method of producing hydrogen

    DOE Patents [OSTI]

    Bingham, Dennis N.; Klingler, Kerry M.; Wilding, Bruce M.; Zollinger, William T.

    2006-12-26

    A method of producing hydrogen is disclosed and which includes providing a first composition; providing a second composition; reacting the first and second compositions together to produce a chemical hydride; providing a liquid and reacting the chemical hydride with the liquid in a manner to produce a high pressure hydrogen gas and a byproduct which includes the first composition; and reusing the first composition formed as a byproduct in a subsequent chemical reaction to form additional chemical hydride.